5d-Block Quadruple-Zeta Basis Set Archive ========================================= Date: 21 Nov 2011 When publishing work that uses these basis sets, please use the following citation: K.G. Dyall, Theor. Chem. Acc. (2007) 117:483. Available from the Dirac web site, http://dirac.chem.sdu.dk. For the core correlating functions for n=1 to n=3, please use the following citation: K.G. Dyall, Theor. Chem. Acc. (2012) 131, 1217. DOI: 10.1007/s00214-012-1217-8. Basis sets are available from the Dirac web site, http://dirac.chem.sdu.dk. This archive contains the exponents and the SCF spinor or orbital coefficients, given with respect to normalized (spherical or 2-spinor) Gaussian functions, for the quadruple-zeta basis sets described in the above article. The primitive basis set is a 34s 30p 19d 12f set, including functions for the 6p. NOTE: Functions are counted from the function with the smallest exponent to the largest. The SCF exponent sets were generated as follows: * Optimization of the s, p, d, and f sets separately, on the total energy of the configuration average of the d^n s^2 and d^n+1 s^1 configurations * Addition of 4 exponents for the 6p, optimized with reoptimization of the exponents for the 3p-5p outer antinodes on the total energy of the d^n s^2 configuration * Replacement of the outer three SCF f exponent with the three 5d/6s correlating f exponents and reoptimization of the other 9 f exponents. In all the following descriptions, this is the set referred to as the SCF exponent set. The correlating exponents were generated as follows * A 3f2g1h set for the 5d and 6s was optimized in MR-SDCI calculations on the ground configuration. * A 3g2h1i set for the 4f was optimized in MR-DCI calculations on the ground configuration, with double excitations from the 4f shell into the correlating orbitals coupled to J=0. * The inner core exponents were optimized in MR-SDCI calculations on the ground configuration, with double excitations from the specified shell into the correlating spinors, coupled to J=0. Only the shell of the highest angular momentum was correlated except for n=2; the correlating sets were 3p2d1f for the 1s, 3d2f1g for the 2s2p, 3f2g1h for the 3d, and 3g2h1i for the 4f. For the 1s, 2s2p, and 3d correlation, exponents from the occupied symmetries were used and frozen and the rest were optimized. The smallest g exponent from the 3d correlating set replaced the largest g exponent from the 4f correlating set and was held fixed while the remaining exponents were optimized, to reduce linear dependence. The exponents for 5d dipole polarization were generated as follows: * The f set was extended in an even-tempered fashion to produce an f exponent for dipole polarization. The ratio used to obtain this f exponent was applied to the g correlating exponent to obtain a g exponent for dipole polarization. * The f and g sets were extended in an even-tempered fashion to produce f and g exponents for dipole polarization. The ratio used to obtain the g exponent was applied to the h correlating exponent to obtain an h exponent for dipole polarization. The contractions are taken from SCF calculations on the weighted average of the d^n s^2, d^n+1 s^1, and d^n p^2 configurations with weight ratio 45%:45%:10%, except for Hg, where the d^n s^2 and d^n p^2 configurations are used with weight ratio 90%:10%. The archive is set out as follows. 1. Exponents and SCF coefficients for Dirac-Hartree-Fock wave functions, in order of Z. The large component functions are given first, followed by the small component functions. Both components are labelled with the large component symmetry type, but the primitive functions for the small component are those obtained by restricted kinetic balance from the large component. The spin-orbit components have a "-" label for j=l-1/2 and a "+" label for j=l+1/2. 2. Exponents and SCF coefficients for spin-free modified Dirac-Hartree-Fock wave functions, in order of Z. The large component functions are given first, followed by the pseudo-large component functions, then the Foldy-Wouthuysen transformed large component functions. Note that all components have the same symmetry type. 3. Exponents of valence correlating functions. The f functions are included in the SCF set. 4. Exponents of valence dipole polarization functions. 5. Exponents of 5s5p inner valence correlating g functions. 6. Exponents of core correlating functions. Basis set construction. ---------------------- Contracted basis sets can be constructed by adding primitive functions to the SCF set. These basis sets are described below. Note that the term "quadruple zeta" applies to the s and p set, and the d set is quintuple zeta. This is a result of keeping a reasonable energy balance for the basis sets. Functions are counted in increasing exponent size, starting from the smallest. The valence space is defined here as the 5d, 6s, and 6p orbitals, the inner valence space is defined as the 5s and 5p orbitals, and the outer core space as the 4f orbital. 1. Valence flexibility. To the SCF functions, add the following: 1st, 2nd, and 4th s primitives from the SCF set 1st, 2nd, and 3rd p primitives from the SCF set 1st through 4th d primitives from the SCF set 1st through 3rd f primitives from the SCF set (valence correlating functions) Valence correlating 2g1h functions 2. Valence + inner valence. This set adds the inner valence correlation from the 5s and 5p shells. To set 1, add the following functions: 5th, 6th, and 8th s primitives from the SCF set 5th, 6th, and 8th p primitives from the SCF set 5th and 6th d primitives from the SCF set 4th f primitive from the SCF set 5s5p correlating g function If linear dependence problems are encountered in the d space, use one of the following solutions: * Do not add the 3rd d primitive (loss of up to 0.8 mEh in the valence correlation energy). * Add the 5th and 7th d primitives instead of the 5th and 6th (loss of about 1 mEh in the 5s5p correlation energy). 3. Valence + inner valence + outer core. This set adds functions for the correlation of the 4f orbital. To set 2, add the following functions: 9th, 10th, and 11th s primitives from the SCF set 10th, 11th, and 12th p primitives from the SCF set 7th, 8th, and 9th d primitives from the SCF set 5th and 7th f primitives from the SCF set This set should also be suitable for correlation of the 4d, 4p and 4s. 4. Dipole polarization of the 5d. To any of the above sets, add the dipole polarization 1f1g1h set. 5. Inner core correlation. Add the correlating functions to the basis sets for the desired shells, and uncontract three functions from each of the shells of the same principal quantum number. These should be chosen to span the radial maxima of the shells. Note that the smallest g exponent of the 3d correlating set is the same as the largest g exponent of the 4f correlating set. Dirac-Hartree-Fock basis sets ============================= ** Hf 180 ** Large component functions ------------------------- 1s+ 2s+ 3s+ 4s+ 5s+ 6s+ 1 6.4780934E+07 1.1572165E-04 -4.3526384E-05 2.0583381E-05 -1.0049231E-05 3.9640739E-06 -1.0784911E-06 2 1.7238745E+07 2.7648597E-04 -1.0432758E-04 4.9360971E-05 -2.4101889E-05 9.5077166E-06 -2.5867482E-06 3 5.9049101E+06 5.5826105E-04 -2.1138882E-04 1.0007037E-04 -4.8868664E-05 1.9277942E-05 -5.2449068E-06 4 2.2500889E+06 1.0346385E-03 -3.9388161E-04 1.8661974E-04 -9.1152232E-05 3.5960787E-05 -9.7839223E-06 5 9.3617372E+05 1.8994948E-03 -7.2763650E-04 3.4508549E-04 -1.6859259E-04 6.6512613E-05 -1.8096084E-05 6 4.1074959E+05 3.4511331E-03 -1.3327853E-03 6.3288560E-04 -3.0928758E-04 1.2203511E-04 -3.3203092E-05 7 1.8832684E+05 6.3204429E-03 -2.4637050E-03 1.1715981E-03 -5.7275572E-04 2.2598822E-04 -6.1485252E-05 8 8.9151826E+04 1.1638504E-02 -4.5882071E-03 2.1857869E-03 -1.0689862E-03 4.2187419E-04 -1.1478670E-04 9 4.3376582E+04 2.1538719E-02 -8.6094577E-03 4.1104195E-03 -2.0113399E-03 7.9373555E-04 -2.1595713E-04 10 2.1589482E+04 3.9654639E-02 -1.6149369E-02 7.7338441E-03 -3.7869920E-03 1.4950218E-03 -4.0679872E-04 11 1.0973964E+04 7.1318732E-02 -2.9868081E-02 1.4369951E-02 -7.0445276E-03 2.7809593E-03 -7.5666163E-04 12 5.6912802E+03 1.2170290E-01 -5.3320529E-02 2.5853093E-02 -1.2696618E-02 5.0161146E-03 -1.3650576E-03 13 3.0108524E+03 1.8810810E-01 -8.8898354E-02 4.3677625E-02 -2.1520353E-02 8.5040960E-03 -2.3141037E-03 14 1.6250891E+03 2.4428865E-01 -1.3032987E-01 6.5482171E-02 -3.2434296E-02 1.2842097E-02 -3.4959905E-03 15 8.9539499E+02 2.3664933E-01 -1.4753799E-01 7.6472304E-02 -3.8177012E-02 1.5120943E-02 -4.1153963E-03 16 5.0398335E+02 1.4322842E-01 -7.8133752E-02 3.9724556E-02 -1.9731128E-02 7.8504924E-03 -2.1402641E-03 17 2.9035504E+02 4.1510652E-02 1.1842776E-01 -8.7626150E-02 4.7357368E-02 -1.9209131E-02 5.2510128E-03 18 1.7631995E+02 4.2436680E-03 3.2057064E-01 -2.6951852E-01 1.5185340E-01 -6.1649434E-02 1.6825799E-02 19 1.1270525E+02 4.0361518E-04 3.6394694E-01 -3.7655044E-01 2.2242994E-01 -9.2059994E-02 2.5234406E-02 20 7.1888352E+01 1.0880361E-05 2.6943050E-01 -3.1450534E-01 1.9759781E-01 -8.2168609E-02 2.2477614E-02 21 4.3923147E+01 -7.1223648E-05 8.5754938E-02 1.3165235E-01 -1.0944748E-01 4.6776882E-02 -1.2808722E-02 22 2.7242184E+01 5.2300688E-06 6.4442665E-03 6.3029436E-01 -6.7737663E-01 3.2630208E-01 -9.1321812E-02 23 1.6505663E+01 -2.8338169E-05 1.4210931E-03 4.9264214E-01 -6.6273155E-01 3.2064677E-01 -8.9428211E-02 24 9.7969434E+00 1.9601149E-05 -6.0225753E-04 1.2630639E-01 1.5033686E-01 -1.0413220E-01 2.9585125E-02 25 5.6926478E+00 -7.0252205E-06 1.4505912E-04 9.5248758E-03 7.8339667E-01 -5.7583898E-01 1.7194962E-01 26 3.2758044E+00 6.6665548E-06 -1.6264396E-04 1.4011533E-03 5.0410305E-01 -5.6875393E-01 1.8242314E-01 27 1.7889818E+00 -3.8967722E-06 8.5613214E-05 -8.0090246E-05 8.2205151E-02 6.9435728E-02 -2.9695999E-02 28 1.0176071E+00 2.3632105E-06 -4.9855339E-05 1.1450674E-05 6.9711176E-05 6.2280368E-01 -2.4599373E-01 29 5.6797939E-01 -1.5676807E-06 3.3671559E-05 -6.5122032E-05 1.9341730E-03 5.3840243E-01 -3.1494617E-01 30 3.1190344E-01 7.8692249E-07 -1.6529535E-05 1.2187019E-05 -3.9109664E-04 1.5091321E-01 -1.8397055E-01 31 1.5932415E-01 -3.9211580E-07 8.2617758E-06 -9.0723403E-06 2.2478980E-04 8.9928256E-03 1.7344876E-01 32 8.0715616E-02 1.9465936E-07 -4.1204290E-06 4.8113485E-06 -1.0883725E-04 1.8680965E-03 5.2569439E-01 33 4.1077918E-02 -7.9240495E-08 1.6463837E-06 -1.1742964E-06 3.1429307E-05 9.0375400E-04 4.5913344E-01 34 2.0835747E-02 1.9380813E-08 -4.1219016E-07 5.2859160E-07 -1.1250873E-05 2.3162408E-04 9.7056228E-02 2p- 3p- 4p- 5p- 6p- 1 5.1923029E+07 1.7841172E-05 -8.9107544E-06 4.2970591E-06 -1.5505497E-06 3.6165057E-07 2 1.4040388E+07 5.7717618E-05 -2.8827927E-05 1.3901841E-05 -5.0162858E-06 1.1700061E-06 3 4.2135165E+06 1.3227662E-04 -6.6073700E-05 3.1863846E-05 -1.1497846E-05 2.6817578E-06 4 1.3773759E+06 2.7521557E-04 -1.3749778E-04 6.6310282E-05 -2.3927276E-05 5.5808600E-06 5 4.8194765E+05 5.4720525E-04 -2.7347985E-04 1.3190113E-04 -4.7597399E-05 1.1101580E-05 6 1.7859320E+05 1.0665612E-03 -5.3344135E-04 2.5732348E-04 -9.2854902E-05 2.1658055E-05 7 6.9640759E+04 2.0753900E-03 -1.0395561E-03 5.0164567E-04 -1.8104796E-04 4.2227215E-05 8 2.8521024E+04 4.1086686E-03 -2.0640482E-03 9.9665999E-04 -3.5969840E-04 8.3902292E-05 9 1.2268789E+04 8.4340207E-03 -4.2585442E-03 2.0587998E-03 -7.4337930E-04 1.7338417E-04 10 5.5412739E+03 1.8062538E-02 -9.1986175E-03 4.4555522E-03 -1.6089040E-03 3.7533107E-04 11 2.6212071E+03 3.9629068E-02 -2.0461527E-02 9.9434235E-03 -3.5945506E-03 8.3843013E-04 12 1.2927642E+03 8.4957717E-02 -4.4884484E-02 2.1926838E-02 -7.9308521E-03 1.8505775E-03 13 6.6114348E+02 1.6553349E-01 -9.0484695E-02 4.4566878E-02 -1.6158496E-02 3.7697413E-03 14 3.4833832E+02 2.6719196E-01 -1.5246317E-01 7.5914359E-02 -2.7560663E-02 6.4344528E-03 15 1.8814571E+02 3.1424584E-01 -1.7981403E-01 8.9582484E-02 -3.2578782E-02 7.5992600E-03 16 1.0339769E+02 2.2102670E-01 -5.3030119E-02 1.2669766E-02 -3.3734869E-03 7.6935904E-04 17 5.7466612E+01 7.1032236E-02 2.5522371E-01 -1.8934408E-01 7.4093619E-02 -1.7448887E-02 18 3.2612497E+01 6.9454666E-03 4.7417838E-01 -3.7792011E-01 1.5241683E-01 -3.5893728E-02 19 1.8775041E+01 5.0883535E-04 3.1435754E-01 -1.8575686E-01 6.3181874E-02 -1.4688173E-02 20 1.0762009E+01 -1.8410041E-04 7.9078172E-02 3.1952623E-01 -1.7427737E-01 4.2401849E-02 21 6.0430677E+00 2.7836343E-06 6.3382178E-03 5.5829800E-01 -3.1961220E-01 7.8039778E-02 22 3.3661019E+00 -4.4886820E-05 7.8527104E-04 3.0979496E-01 -1.6888136E-01 4.1612111E-02 23 1.8111233E+00 1.5862831E-05 -2.5565683E-05 5.5066253E-02 2.3176216E-01 -6.8662405E-02 24 9.6723467E-01 -9.1694226E-06 4.5111000E-05 2.0042168E-03 4.9245233E-01 -1.4582370E-01 25 5.1314039E-01 5.8608310E-06 -3.2920246E-05 7.4864559E-04 3.7155579E-01 -1.4804309E-01 26 2.6998329E-01 -2.9124347E-06 1.5444609E-05 -1.9747762E-04 1.1397516E-01 -1.0376089E-02 27 1.2801326E-01 1.4969717E-06 -8.0616486E-06 8.0312288E-05 1.2473841E-02 2.7445346E-01 28 6.2429645E-02 -8.0353687E-07 4.4043029E-06 -5.3039928E-05 8.7950872E-04 4.7381805E-01 29 3.0288827E-02 3.6402034E-07 -1.9509190E-06 2.0804744E-05 5.0341645E-04 3.3697485E-01 30 1.4607384E-02 -1.0243177E-07 5.6056026E-07 -6.2538495E-06 -4.7836832E-05 5.4340607E-02 2p+ 3p+ 4p+ 5p+ 6p+ 1 5.1923029E+07 4.7736528E-08 -2.4441706E-08 1.1804400E-08 -4.1361092E-09 9.7150510E-10 2 1.4040388E+07 2.1548245E-07 -1.1034858E-07 5.3167080E-08 -1.8571661E-08 4.3651927E-09 3 4.2135165E+06 9.2690426E-07 -4.7510218E-07 2.2940732E-07 -8.0338457E-08 1.8872620E-08 4 1.3773759E+06 3.6599753E-06 -1.8775185E-06 9.0533546E-07 -3.1642901E-07 7.4367196E-08 5 4.8194765E+05 1.4007646E-05 -7.1963616E-06 3.4757530E-06 -1.2169381E-06 2.8589958E-07 6 1.7859320E+05 5.2412929E-05 -2.6968173E-05 1.3015449E-05 -4.5508390E-06 1.0694951E-06 7 6.9640759E+04 1.9280625E-04 -9.9412814E-05 4.8047865E-05 -1.6822233E-05 3.9523380E-06 8 2.8521024E+04 6.8952484E-04 -3.5638864E-04 1.7219997E-04 -6.0231231E-05 1.4154772E-05 9 1.2268789E+04 2.3580846E-03 -1.2233552E-03 5.9205411E-04 -2.0732201E-04 4.8712313E-05 10 5.5412739E+03 7.5504233E-03 -3.9410379E-03 1.9086805E-03 -6.6796461E-04 1.5698070E-04 11 2.6212071E+03 2.2201724E-02 -1.1720374E-02 5.6950454E-03 -1.9958110E-03 4.6897556E-04 12 1.2927642E+03 5.8496152E-02 -3.1520241E-02 1.5379780E-02 -5.3904113E-03 1.2670015E-03 13 6.6114348E+02 1.3270737E-01 -7.3926288E-02 3.6382716E-02 -1.2783781E-02 3.0046179E-03 14 3.4833832E+02 2.4308001E-01 -1.4183884E-01 7.0568167E-02 -2.4827444E-02 5.8380822E-03 15 1.8814571E+02 3.2422320E-01 -1.9681882E-01 9.9111544E-02 -3.5004550E-02 8.2296692E-03 16 1.0339769E+02 2.6479479E-01 -1.1659677E-01 5.0552154E-02 -1.7137761E-02 4.0201449E-03 17 5.7466612E+01 1.0442428E-01 1.7675794E-01 -1.3477069E-01 5.1085718E-02 -1.2108970E-02 18 3.2612497E+01 1.3461978E-02 4.6606176E-01 -3.6859667E-01 1.4312857E-01 -3.3934948E-02 19 1.8775041E+01 1.0079036E-03 3.7547882E-01 -2.7147477E-01 9.9156976E-02 -2.3418299E-02 20 1.0762009E+01 -3.4339881E-04 1.1747383E-01 2.1679285E-01 -1.1654197E-01 2.8499573E-02 21 6.0430677E+00 8.9352323E-05 1.2150651E-02 5.5415045E-01 -2.9845840E-01 7.2997673E-02 22 3.3661019E+00 -1.1437912E-04 1.0604216E-03 3.8304660E-01 -2.2887834E-01 5.7017270E-02 23 1.8111233E+00 5.5856649E-05 3.0259707E-05 8.8916231E-02 1.3463512E-01 -4.0143462E-02 24 9.6723467E-01 -3.3850148E-05 2.9713460E-05 4.4175997E-03 4.5565812E-01 -1.3127189E-01 25 5.1314039E-01 2.0853592E-05 -2.7572078E-05 1.2677211E-03 4.2407308E-01 -1.5814665E-01 26 2.6998329E-01 -1.0902239E-05 1.2155713E-05 -3.5268953E-04 1.7376691E-01 -6.2435903E-02 27 1.2801326E-01 5.5061007E-06 -6.5266467E-06 1.5735616E-04 2.5630091E-02 2.0473402E-01 28 6.2429645E-02 -2.9908674E-06 3.5815997E-06 -9.8228795E-05 9.8305393E-04 4.5855486E-01 29 3.0288827E-02 1.3585896E-06 -1.5588521E-06 4.0187435E-05 1.0292315E-03 4.0087212E-01 30 1.4607384E-02 -3.8109647E-07 4.6171833E-07 -1.2017678E-05 -1.1266014E-04 9.2027300E-02 3d- 4d- 5d- 1 4.7932975E+04 3.2928008E-05 -1.6173311E-05 3.3146104E-06 2 1.1632815E+04 1.7288240E-04 -8.4925679E-05 1.7393523E-05 3 3.9247206E+03 7.9745903E-04 -3.9313044E-04 8.0633278E-05 4 1.5820406E+03 3.3909317E-03 -1.6750413E-03 3.4330376E-04 5 7.1497572E+02 1.2830984E-02 -6.3876740E-03 1.3120549E-03 6 3.4923989E+02 4.0993983E-02 -2.0565279E-02 4.2245236E-03 7 1.7991310E+02 1.0734447E-01 -5.4842745E-02 1.1309138E-02 8 9.6415585E+01 2.1826227E-01 -1.1216158E-01 2.3114212E-02 9 5.2908824E+01 3.2286177E-01 -1.6122287E-01 3.3162597E-02 10 2.9588123E+01 3.1080938E-01 -1.1726081E-01 2.2420860E-02 11 1.6608483E+01 1.6200928E-01 1.0717648E-01 -2.9994326E-02 12 9.1942898E+00 3.7331447E-02 3.6238442E-01 -8.9064609E-02 13 5.0022545E+00 3.0990405E-03 4.1072007E-01 -9.7954458E-02 14 2.6528481E+00 4.8869231E-04 2.2738831E-01 -1.7658802E-02 15 1.3396017E+00 5.5937685E-05 5.1683435E-02 1.5182975E-01 16 6.2908545E-01 2.8113171E-05 3.2571118E-03 3.1460802E-01 17 2.8196997E-01 -5.6513802E-06 3.7747311E-04 3.7790752E-01 18 1.2054260E-01 1.9782968E-06 -3.3956299E-05 3.0649877E-01 19 4.8354729E-02 -1.0588586E-06 3.5780443E-05 1.2838833E-01 3d+ 4d+ 5d+ 1 4.7932975E+04 4.1956611E-06 -2.0619391E-06 4.1194821E-07 2 1.1632815E+04 5.4115669E-05 -2.6503565E-05 5.2755222E-06 3 3.9247206E+03 4.1978681E-04 -2.0655957E-04 4.1236399E-05 4 1.5820406E+03 2.3667577E-03 -1.1655730E-03 2.3232004E-04 5 7.1497572E+02 1.0411093E-02 -5.1672817E-03 1.0325307E-03 6 3.4923989E+02 3.6225894E-02 -1.8113422E-02 3.6188663E-03 7 1.7991310E+02 9.9717235E-02 -5.0789031E-02 1.0186980E-02 8 9.6415585E+01 2.0970596E-01 -1.0767842E-01 2.1589923E-02 9 5.2908824E+01 3.1980216E-01 -1.6041620E-01 3.2133526E-02 10 2.9588123E+01 3.1834168E-01 -1.2596763E-01 2.3790500E-02 11 1.6608483E+01 1.7253134E-01 8.9235590E-02 -2.4930817E-02 12 9.1942898E+00 4.1744182E-02 3.4969208E-01 -8.3510807E-02 13 5.0022545E+00 3.5891009E-03 4.1664944E-01 -9.7125415E-02 14 2.6528481E+00 5.5626061E-04 2.4278675E-01 -2.6103389E-02 15 1.3396017E+00 6.3259526E-05 5.8767655E-02 1.3521395E-01 16 6.2908545E-01 3.3962065E-05 3.9263130E-03 3.0120649E-01 17 2.8196997E-01 -6.9877681E-06 4.6458074E-04 3.7888466E-01 18 1.2054260E-01 2.5891350E-06 -4.2020899E-05 3.1996295E-01 19 4.8354729E-02 -1.3016693E-06 4.3851262E-05 1.4741321E-01 4f- 1 9.8605349E+02 1.6577880E-04 2 3.3709097E+02 1.5096898E-03 3 1.4392596E+02 8.5248794E-03 4 6.9004994E+01 3.2435649E-02 5 3.4971760E+01 8.8830703E-02 6 1.8367110E+01 1.8344331E-01 7 9.7118702E+00 2.7466818E-01 8 5.0133492E+00 3.1530531E-01 9 2.4539427E+00 2.7929668E-01 10 1.0876844E+00 1.7353397E-01 11 4.0757909E-01 5.0344413E-02 12 1.4970359E-01 9.8544345E-04 4f+ 1 9.8605349E+02 1.2526214E-04 2 3.3709097E+02 1.3319206E-03 3 1.4392596E+02 7.9056525E-03 4 6.9004994E+01 3.0922534E-02 5 3.4971760E+01 8.6104901E-02 6 1.8367110E+01 1.7920053E-01 7 9.7118702E+00 2.7082172E-01 8 5.0133492E+00 3.1504249E-01 9 2.4539427E+00 2.8286092E-01 10 1.0876844E+00 1.8056876E-01 11 4.0757909E-01 5.5627207E-02 12 1.4970359E-01 1.6154326E-03 Small component functions ------------------------- 1s+ 2s+ 3s+ 4s+ 5s+ 6s+ 1 6.4780934E+07 -1.5069003E-04 5.6546766E-05 -2.6730668E-05 1.3049352E-05 -5.1473264E-06 1.4004025E-06 2 1.7238745E+07 -5.1458945E-04 1.9311548E-04 -9.1290777E-05 4.4566103E-05 -1.7579939E-05 4.7829418E-06 3 5.9049101E+06 -9.8524545E-04 3.6991235E-04 -1.7487889E-04 8.5374113E-05 -3.3675544E-05 9.1618660E-06 4 2.2500889E+06 -1.8014598E-03 6.7671700E-04 -3.1995387E-04 1.5619968E-04 -6.1617895E-05 1.6764420E-05 5 9.3617372E+05 -3.0201902E-03 1.1356450E-03 -5.3701560E-04 2.6218191E-04 -1.0341534E-04 2.8135271E-05 6 4.1074959E+05 -5.0050427E-03 1.8846821E-03 -8.9144308E-04 4.3523706E-04 -1.7170187E-04 4.6715640E-05 7 1.8832684E+05 -8.0018649E-03 3.0210241E-03 -1.4295212E-03 6.9803660E-04 -2.7533577E-04 7.4907683E-05 8 8.9151826E+04 -1.2597804E-02 4.7767799E-03 -2.2620467E-03 1.1047226E-03 -4.3585707E-04 1.1858776E-04 9 4.3376582E+04 -1.9279075E-02 7.3678659E-03 -3.4936473E-03 1.7068062E-03 -6.7328984E-04 1.8317547E-04 10 2.1589482E+04 -2.8671284E-02 1.1109352E-02 -5.2804866E-03 2.5811286E-03 -1.0186041E-03 2.7715255E-04 11 1.0973964E+04 -4.0672448E-02 1.6156943E-02 -7.7126834E-03 3.7740741E-03 -1.4892348E-03 4.0517464E-04 12 5.6912802E+03 -5.3854993E-02 2.2350203E-02 -1.0752059E-02 5.2707687E-03 -2.0815430E-03 5.6643239E-04 13 3.0108524E+03 -6.3781294E-02 2.8563750E-02 -1.3929145E-02 6.8511536E-03 -2.7062365E-03 7.3636809E-04 14 1.6250891E+03 -6.3073615E-02 3.1953547E-02 -1.5947751E-02 7.8871135E-03 -3.1218212E-03 8.4981492E-04 15 8.9539499E+02 -4.6397140E-02 2.7618967E-02 -1.4249634E-02 7.1065647E-03 -2.8140777E-03 7.6586997E-04 16 5.0398335E+02 -2.1366753E-02 1.1408168E-02 -5.8437236E-03 2.9089048E-03 -1.1577307E-03 3.1562988E-04 17 2.9035504E+02 -4.7293551E-03 -1.2390977E-02 9.0663239E-03 -4.8881361E-03 1.9820896E-03 -5.4182079E-04 18 1.7631995E+02 -3.8440666E-04 -2.6837469E-02 2.2361413E-02 -1.2575526E-02 5.1030958E-03 -1.3926784E-03 19 1.1270525E+02 -2.1860137E-05 -2.4531665E-02 2.5190271E-02 -1.4862334E-02 6.1499243E-03 -1.6856991E-03 20 7.1888352E+01 -5.5672641E-06 -1.4548709E-02 1.6901615E-02 -1.0613898E-02 4.4130326E-03 -1.2071920E-03 21 4.3923147E+01 6.5841395E-06 -3.6265540E-03 -5.4438553E-03 4.5097443E-03 -1.9243450E-03 5.2677713E-04 22 2.7242184E+01 -2.5950128E-06 -2.1414231E-04 -2.0799039E-02 2.2309131E-02 -1.0742923E-02 3.0064834E-03 23 1.6505663E+01 2.2287369E-06 -3.6994431E-05 -1.2672017E-02 1.7025092E-02 -8.2369637E-03 2.2972973E-03 24 9.7969434E+00 -1.2860245E-06 1.2143381E-05 -2.5043416E-03 -2.9645820E-03 2.0527366E-03 -5.8313641E-04 25 5.6926478E+00 6.3520875E-07 -2.2889331E-06 -1.4376305E-04 -1.1814005E-02 8.6802155E-03 -2.5918208E-03 26 3.2758044E+00 -3.8605674E-07 1.9167021E-06 -1.6129833E-05 -5.7685404E-03 6.5060069E-03 -2.0867028E-03 27 1.7889818E+00 2.2200369E-07 -7.5525815E-07 7.2892579E-07 -6.9518372E-04 -5.8644932E-04 2.5078705E-04 28 1.0176071E+00 -1.3958159E-07 3.3702802E-07 -1.0603427E-07 -4.5350897E-07 -3.9704786E-03 1.5681685E-03 29 5.6797939E-01 8.1336243E-08 -1.7128578E-07 3.2992793E-07 -9.2095576E-06 -2.5644315E-03 1.5000178E-03 30 3.1190344E-01 -4.2284147E-08 6.3924392E-08 -5.3442776E-08 1.3779067E-06 -5.3267556E-04 6.4932480E-04 31 1.5932415E-01 2.0593979E-08 -2.3517058E-08 2.8046284E-08 -5.6572375E-07 -2.2684872E-05 -4.3752523E-04 32 8.0715616E-02 -1.0399693E-08 8.7336291E-09 -1.1276550E-08 1.9469142E-07 -3.3546429E-06 -9.4386124E-04 33 4.1077918E-02 4.5421867E-09 -2.6872192E-09 2.6675359E-09 -3.9924716E-08 -1.1573637E-06 -5.8808576E-04 34 2.0835747E-02 -1.2048743E-09 5.2839065E-10 -7.9285088E-10 1.0172141E-08 -2.1135066E-07 -8.8537219E-05 2p- 3p- 4p- 5p- 6p- 1 5.1923029E+07 -5.5267118E-06 2.7611668E-06 -1.3316657E-06 4.8059815E-07 -1.1208713E-07 2 1.4040388E+07 -1.8888865E-05 9.4409101E-06 -4.5533074E-06 1.6428047E-06 -3.8319797E-07 3 4.2135165E+06 -4.5283950E-05 2.2645724E-05 -1.0924093E-05 3.9427592E-06 -9.1954291E-07 4 1.3773759E+06 -9.7744305E-05 4.8927787E-05 -2.3605502E-05 8.5169149E-06 -1.9866995E-06 5 4.8194765E+05 -2.0293532E-04 1.0171252E-04 -4.9090812E-05 1.7720794E-05 -4.1328459E-06 6 1.7859320E+05 -4.1576772E-04 2.0879010E-04 -1.0080448E-04 3.6374277E-05 -8.4851580E-06 7 6.9640759E+04 -8.4921173E-04 4.2748938E-04 -2.0653043E-04 7.4571195E-05 -1.7391573E-05 8 2.8521024E+04 -1.7261544E-03 8.7191976E-04 -4.2152172E-04 1.5213925E-04 -3.5491500E-05 9 1.2268789E+04 -3.4612042E-03 1.7564739E-03 -8.5016004E-04 3.0708830E-04 -7.1621369E-05 10 5.5412739E+03 -6.7363944E-03 3.4443839E-03 -1.6697920E-03 6.0300523E-04 -1.4068096E-04 11 2.6212071E+03 -1.2467066E-02 6.4552654E-03 -3.1389758E-03 1.1349706E-03 -2.6472660E-04 12 1.2927642E+03 -2.1272060E-02 1.1262540E-02 -5.5042915E-03 1.9909565E-03 -4.6458238E-04 13 6.6114348E+02 -3.1837675E-02 1.7444525E-02 -8.5963076E-03 3.1171553E-03 -7.2722216E-04 14 3.4833832E+02 -3.8762492E-02 2.2196786E-02 -1.1059783E-02 4.0156930E-03 -9.3754692E-04 15 1.8814571E+02 -3.4093984E-02 1.9644330E-02 -9.8034882E-03 3.5666560E-03 -8.3197361E-04 16 1.0339769E+02 -1.7718184E-02 4.2967255E-03 -1.0384452E-03 2.7835296E-04 -6.3543378E-05 17 5.7466612E+01 -3.9675885E-03 -1.5776975E-02 1.1661977E-02 -4.5609283E-03 1.0740350E-03 18 3.2612497E+01 -3.5465639E-05 -2.2111829E-02 1.7593243E-02 -7.0937969E-03 1.6705358E-03 19 1.8775041E+01 1.7235455E-04 -1.1137376E-02 6.5928056E-03 -2.2460012E-03 5.2222770E-04 20 1.0762009E+01 1.3443692E-04 -2.1240273E-03 -8.5287560E-03 4.6529332E-03 -1.1320928E-03 21 6.0430677E+00 8.5522467E-05 -1.2990942E-04 -1.1185427E-02 6.4043732E-03 -1.5637745E-03 22 3.3661019E+00 5.8178754E-05 -1.3227241E-05 -4.6298536E-03 2.5260633E-03 -6.2248033E-04 23 1.8111233E+00 3.7090197E-05 -8.0250894E-07 -5.9885804E-04 -2.5455369E-03 7.5403065E-04 24 9.6723467E-01 2.4248466E-05 -9.8216079E-07 -1.2285958E-05 -3.9520306E-03 1.1701941E-03 25 5.1314039E-01 1.3791133E-05 -2.0767059E-07 -2.1546206E-06 -2.1719556E-03 8.6530997E-04 26 2.6998329E-01 1.0818680E-05 -3.4795022E-07 2.5416201E-06 -4.8346456E-04 4.4079258E-05 27 1.2801326E-01 5.1479168E-06 -1.2309784E-07 5.9083533E-07 -3.6551378E-05 -8.0110551E-04 28 6.2429645E-02 4.8233945E-06 -1.3709292E-07 8.7080588E-07 -1.9173946E-06 -9.6584495E-04 29 3.0288827E-02 2.1554858E-07 -4.7276691E-09 6.5025622E-09 -7.2127908E-07 -4.7847369E-04 30 1.4607384E-02 2.9101993E-06 -7.9428515E-08 4.6811966E-07 -2.8747311E-08 -5.3556482E-05 2p+ 3p+ 4p+ 5p+ 6p+ 1 5.1923029E+07 -9.8371246E-08 5.0380731E-08 -2.4458550E-08 8.6255504E-09 -2.0230827E-09 2 1.4040388E+07 -5.0864821E-07 2.6013092E-07 -1.2490227E-07 4.3451988E-08 -1.0222309E-08 3 4.2135165E+06 -2.0431897E-06 1.0459733E-06 -5.0593190E-07 1.7761835E-07 -4.1701181E-08 4 1.3773759E+06 -7.4247973E-06 3.7988140E-06 -1.8283610E-06 6.3793977E-07 -1.4998061E-07 5 4.8194765E+05 -2.5041286E-05 1.2819936E-05 -6.1916411E-06 2.1695677E-06 -5.0958756E-07 6 1.7859320E+05 -7.8977287E-05 4.0433220E-05 -1.9482754E-05 6.8066808E-06 -1.5998079E-06 7 6.9640759E+04 -2.3393221E-04 1.1987277E-04 -5.7869613E-05 2.0261793E-05 -4.7599837E-06 8 2.8521024E+04 -6.4706455E-04 3.3198792E-04 -1.6011598E-04 5.5975187E-05 -1.3154682E-05 9 1.2268789E+04 -1.6618131E-03 8.5522266E-04 -4.1317164E-04 1.4464438E-04 -3.3983624E-05 10 5.5412739E+03 -3.9255490E-03 2.0317958E-03 -9.8208222E-04 3.4353724E-04 -8.0734011E-05 11 2.6212071E+03 -8.4505180E-03 4.4238356E-03 -2.1455989E-03 7.5166316E-04 -1.7661806E-04 12 1.2927642E+03 -1.6288230E-02 8.7061100E-03 -4.2402330E-03 1.4855741E-03 -3.4916975E-04 13 6.6114348E+02 -2.7118125E-02 1.4995265E-02 -7.3681198E-03 2.5881456E-03 -6.0828119E-04 14 3.4833832E+02 -3.6626321E-02 2.1233075E-02 -1.0549302E-02 3.7104302E-03 -8.7247306E-04 15 1.8814571E+02 -3.6254267E-02 2.1894794E-02 -1.1016013E-02 3.8900810E-03 -9.1455573E-04 16 1.0339769E+02 -2.2068868E-02 9.7183733E-03 -4.2260250E-03 1.4339600E-03 -3.3640192E-04 17 5.7466612E+01 -6.5041157E-03 -1.0860354E-02 8.2714775E-03 -3.1345397E-03 7.4297476E-04 18 3.2612497E+01 -6.3279957E-04 -2.1705132E-02 1.7143953E-02 -6.6557148E-03 1.5780004E-03 19 1.8775041E+01 -3.5553343E-05 -1.3291772E-02 9.6050423E-03 -3.5089401E-03 8.2873977E-04 20 1.0762009E+01 9.0499483E-06 -3.1490708E-03 -5.7953124E-03 3.1147773E-03 -7.6168633E-04 21 6.0430677E+00 -1.6869202E-06 -2.4445090E-04 -1.1113981E-02 5.9842701E-03 -1.4636119E-03 22 3.3661019E+00 1.6472444E-06 -1.5685567E-05 -5.7355023E-03 3.4263610E-03 -8.5355542E-04 23 1.8111233E+00 -5.7313524E-07 -4.4808795E-07 -9.7649602E-04 -1.4779596E-03 4.4066275E-04 24 9.6723467E-01 2.4642307E-07 -1.6904190E-07 -3.5524254E-05 -3.6560874E-03 1.0532655E-03 25 5.1314039E-01 -1.0668982E-07 1.2052269E-07 -7.3711591E-06 -2.4785107E-03 9.2426443E-04 26 2.6998329E-01 3.8012149E-08 -3.0019500E-08 1.4745797E-06 -7.3665635E-04 2.6468574E-04 27 1.2801326E-01 -1.1909421E-08 8.3070659E-09 -4.4897490E-07 -7.4822445E-05 -5.9763174E-04 28 6.2429645E-02 3.7717314E-09 -1.3636550E-09 1.9449601E-07 -2.0019078E-06 -9.3477481E-04 29 3.0288827E-02 -8.1957659E-10 -5.9848227E-10 -5.4331906E-08 -1.4624161E-06 -5.6920391E-04 30 1.4607384E-02 3.5904086E-11 4.0144207E-10 1.1016254E-08 1.1138925E-07 -9.0745440E-05 3d- 4d- 5d- 1 4.7932975E+04 -1.1843382E-05 5.8329195E-06 -1.1971144E-06 2 1.1632815E+04 -6.9942410E-05 3.4363610E-05 -7.0340091E-06 3 3.9247206E+03 -2.9757420E-04 1.4685955E-04 -3.0135162E-05 4 1.5820406E+03 -1.0251627E-03 5.0647454E-04 -1.0379179E-04 5 7.1497572E+02 -2.9415119E-03 1.4647245E-03 -3.0088811E-04 6 3.4923989E+02 -6.9715059E-03 3.4975770E-03 -7.1845949E-04 7 1.7991310E+02 -1.3490857E-02 6.8935724E-03 -1.4215747E-03 8 9.6415585E+01 -2.0374482E-02 1.0475155E-02 -2.1588523E-03 9 5.2908824E+01 -2.2490756E-02 1.1240136E-02 -2.3123276E-03 10 2.9588123E+01 -1.6242887E-02 6.1406397E-03 -1.1747741E-03 11 1.6608483E+01 -6.3378205E-03 -4.2040237E-03 1.1763444E-03 12 9.1942898E+00 -1.0729601E-03 -1.0597036E-02 2.6043600E-03 13 5.0022545E+00 -5.6657595E-05 -8.8632712E-03 2.1140078E-03 14 2.6528481E+00 -2.7674338E-06 -3.5734150E-03 2.7781177E-04 15 1.3396017E+00 1.6972637E-06 -5.7638611E-04 -1.6960886E-03 16 6.2908545E-01 7.6140359E-07 -2.4454927E-05 -2.4086653E-03 17 2.8196997E-01 4.1351928E-07 -1.7385791E-06 -1.9371090E-03 18 1.2054260E-01 1.2237263E-07 1.7787370E-07 -1.0272420E-03 19 4.8354729E-02 6.5319345E-08 -4.3796575E-08 -2.7252755E-04 3d+ 4d+ 5d+ 1 4.7932975E+04 -5.3510974E-06 2.6293766E-06 -5.2577497E-07 2 1.1632815E+04 -4.3331002E-05 2.1177570E-05 -4.2128438E-06 3 3.9247206E+03 -2.1991089E-04 1.0803472E-04 -2.1564958E-05 4 1.5820406E+03 -8.3871881E-04 4.1229949E-04 -8.2153331E-05 5 7.1497572E+02 -2.5705911E-03 1.2737946E-03 -2.5447803E-04 6 3.4923989E+02 -6.3787358E-03 3.1846615E-03 -6.3611814E-04 7 1.7991310E+02 -1.2754011E-02 6.4873791E-03 -1.3009672E-03 8 9.6415585E+01 -1.9768625E-02 1.0139371E-02 -2.0326729E-03 9 5.2908824E+01 -2.2410276E-02 1.1232107E-02 -2.2497247E-03 10 2.9588123E+01 -1.6717873E-02 6.6157601E-03 -1.2497187E-03 11 1.6608483E+01 -6.7946950E-03 -3.5007347E-03 9.7824736E-04 12 9.1942898E+00 -1.2236131E-03 -1.0231392E-02 2.4430640E-03 13 5.0022545E+00 -7.7546204E-05 -8.9956749E-03 2.0967291E-03 14 2.6528481E+00 -8.7702138E-06 -3.8179375E-03 4.1057290E-04 15 1.3396017E+00 -6.9753249E-07 -6.5672670E-04 -1.5106110E-03 16 6.2908545E-01 -2.6430041E-07 -3.0068324E-05 -2.3061763E-03 17 2.8196997E-01 3.7702181E-08 -2.3809674E-06 -1.9421843E-03 18 1.2054260E-01 -9.4551401E-09 1.4056549E-07 -1.0723937E-03 19 4.8354729E-02 3.0046870E-09 -9.2994361E-08 -3.1292589E-04 4f- 1 9.8605349E+02 -4.6368131E-05 2 3.3709097E+02 -2.8227853E-04 3 1.4392596E+02 -1.0845091E-03 4 6.9004994E+01 -2.9073112E-03 5 3.4971760E+01 -5.7109288E-03 6 1.8367110E+01 -8.5762408E-03 7 9.7118702E+00 -9.3536506E-03 8 5.0133492E+00 -7.7209332E-03 9 2.4539427E+00 -4.7867195E-03 10 1.0876844E+00 -1.9803713E-03 11 4.0757909E-01 -3.5167582E-04 12 1.4970359E-01 -4.1489479E-06 4f+ 1 9.8605349E+02 -4.0380235E-05 2 3.3709097E+02 -2.6009252E-04 3 1.4392596E+02 -1.0241850E-03 4 6.9004994E+01 -2.7934949E-03 5 3.4971760E+01 -5.5562056E-03 6 1.8367110E+01 -8.3956402E-03 7 9.7118702E+00 -9.2332364E-03 8 5.0133492E+00 -7.7197162E-03 9 2.4539427E+00 -4.8499458E-03 10 1.0876844E+00 -2.0613403E-03 11 4.0757909E-01 -3.8873846E-04 12 1.4970359E-01 -6.8418184E-06 ** Ta 181 ** Large component functions ------------------------- 1s+ 2s+ 3s+ 4s+ 5s+ 6s+ 1 6.4638514E+07 1.2394451E-04 -4.6827564E-05 2.2188014E-05 -1.0867365E-05 -4.3556268E-06 -1.2136426E-06 2 1.7191660E+07 2.9583211E-04 -1.1213299E-04 5.3159451E-05 -2.6039867E-05 -1.0437258E-05 -2.9082445E-06 3 5.8821453E+06 5.9663784E-04 -2.2696161E-04 1.0765563E-04 -5.2741759E-05 -2.1139767E-05 -5.8903643E-06 4 2.2386972E+06 1.1034207E-03 -4.2205221E-04 2.0037394E-04 -9.8185192E-05 -3.9358292E-05 -1.0967007E-05 5 9.3109986E+05 2.0178281E-03 -7.7674125E-04 3.6911693E-04 -1.8091505E-04 -7.2518808E-05 -2.0206679E-05 6 4.0882372E+05 3.6485048E-03 -1.4161520E-03 6.7389857E-04 -3.3039517E-04 -1.3246335E-04 -3.6911394E-05 7 1.8764755E+05 6.6552467E-03 -2.6080105E-03 1.2427838E-03 -6.0952940E-04 -2.4434989E-04 -6.8086155E-05 8 8.8873082E+04 1.2219602E-02 -4.8442913E-03 2.3129773E-03 -1.1348751E-03 -4.5510999E-04 -1.2682369E-04 9 4.3219270E+04 2.2576019E-02 -9.0784995E-03 4.3436756E-03 -2.1324559E-03 -8.5498582E-04 -2.3823699E-04 10 2.1466929E+04 4.1590116E-02 -1.7048932E-02 8.1848823E-03 -4.0210906E-03 -1.6131677E-03 -4.4956564E-04 11 1.0863421E+04 7.5016211E-02 -3.1655657E-02 1.5266379E-02 -7.5091514E-03 -3.0116798E-03 -8.3921143E-04 12 5.5960817E+03 1.2819273E-01 -5.6697415E-02 2.7576772E-02 -1.3589891E-02 -5.4566654E-03 -1.5209122E-03 13 2.9373561E+03 1.9698965E-01 -9.4328556E-02 4.6502778E-02 -2.2996311E-02 -9.2319441E-03 -2.5727538E-03 14 1.5726624E+03 2.5099904E-01 -1.3637510E-01 6.8891078E-02 -3.4258147E-02 -1.3791122E-02 -3.8456361E-03 15 8.5889297E+02 2.3301293E-01 -1.4729297E-01 7.6629115E-02 -3.8411477E-02 -1.5445377E-02 -4.3043577E-03 16 4.7870086E+02 1.2849046E-01 -5.6855447E-02 2.7367354E-02 -1.3393737E-02 -5.4506349E-03 -1.5254237E-03 17 2.7574448E+02 3.0644602E-02 1.6011147E-01 -1.2010020E-01 6.5330953E-02 2.7057068E-02 7.5838159E-03 18 1.6964466E+02 3.6471728E-03 3.2336612E-01 -2.7930010E-01 1.5956500E-01 6.5634731E-02 1.8330048E-02 19 1.1261962E+02 -5.4088489E-04 3.3315690E-01 -3.5589221E-01 2.1120028E-01 8.9540961E-02 2.5194129E-02 20 7.2371181E+01 5.5414278E-04 2.6738654E-01 -2.9828283E-01 1.8993284E-01 7.9858262E-02 2.2342108E-02 21 4.2325898E+01 -4.2336521E-04 7.6483802E-02 2.0535539E-01 -1.7814816E-01 -7.8612890E-02 -2.2118883E-02 22 2.6578434E+01 2.7161608E-04 -3.4667022E-04 6.4049627E-01 -7.1675578E-01 -3.5610462E-01 -1.0243891E-01 23 1.6211799E+01 -1.9730511E-04 3.2440331E-03 4.4060390E-01 -5.9305584E-01 -2.8676717E-01 -8.1702130E-02 24 9.7428880E+00 1.2682600E-04 -1.6913121E-03 1.0343095E-01 2.2693537E-01 1.4418851E-01 4.1670790E-02 25 5.6927686E+00 -7.4281481E-05 7.9166502E-04 8.5469129E-03 7.9127310E-01 6.2020043E-01 1.9230606E-01 26 3.2966756E+00 5.1092919E-05 -5.7893583E-04 7.8032370E-04 4.5768535E-01 5.3750206E-01 1.7853050E-01 27 1.9110337E+00 -3.4010949E-05 3.7074909E-04 1.7424787E-04 6.8643911E-02 -7.1355480E-02 -3.1327683E-02 28 1.1247795E+00 2.0852095E-05 -2.2190084E-04 -1.6145316E-04 6.6374671E-03 -6.0041277E-01 -2.4745084E-01 29 6.3622230E-01 -1.1434022E-05 1.2395713E-04 2.7781436E-05 -6.1930445E-04 -5.5509606E-01 -3.2153845E-01 30 3.6230173E-01 5.2226762E-06 -5.5738726E-05 -3.6734333E-05 8.0358700E-04 -1.7471464E-01 -1.8362725E-01 31 1.6667233E-01 -2.1646503E-06 2.3250720E-05 1.1575691E-05 -2.5910705E-04 -1.8836143E-02 1.7923257E-01 32 8.6724950E-02 1.2185984E-06 -1.3129778E-05 -6.2043737E-06 1.4419578E-04 2.3872824E-03 5.1798439E-01 33 4.4339877E-02 -5.0466544E-07 5.3866716E-06 3.5500130E-06 -7.4875460E-05 -2.6052033E-03 4.4917496E-01 34 2.2403507E-02 1.2026321E-07 -1.3003149E-06 -5.5407475E-07 1.3471945E-05 1.4036072E-04 9.7975131E-02 2p- 3p- 4p- 5p- 6p- 1 5.2419849E+07 1.8898689E-05 -9.4611922E-06 4.5806464E-06 -1.6884583E-06 4.0213026E-07 2 1.4285350E+07 6.1054417E-05 -3.0566481E-05 1.4798883E-05 -5.4549213E-06 1.2991744E-06 3 4.3127118E+06 1.3938728E-04 -6.9789916E-05 3.3789863E-05 -1.2455291E-05 2.9664015E-06 4 1.4163009E+06 2.8886450E-04 -1.4465794E-04 7.0041093E-05 -2.5817573E-05 6.1488868E-06 5 4.9732819E+05 5.7189812E-04 -2.8649662E-04 1.3872892E-04 -5.1138808E-05 1.2179380E-05 6 1.8488054E+05 1.1088984E-03 -5.5592980E-04 2.6924026E-04 -9.9246905E-05 2.3637696E-05 7 7.2301995E+04 2.1460015E-03 -1.0774628E-03 5.2200540E-04 -1.9245076E-04 4.5834408E-05 8 2.9664024E+04 4.2262139E-03 -2.1281118E-03 1.0316980E-03 -3.8036419E-04 9.0596127E-05 9 1.2764385E+04 8.6262885E-03 -4.3658640E-03 2.1190751E-03 -7.8160988E-04 1.8615007E-04 10 5.7608252E+03 1.8358292E-02 -9.3714987E-03 4.5575508E-03 -1.6812223E-03 4.0048627E-04 11 2.7223146E+03 4.0022387E-02 -2.0713366E-02 1.0105989E-02 -3.7319812E-03 8.8887121E-04 12 1.3416600E+03 8.5317990E-02 -4.5178525E-02 2.2159994E-02 -8.1883057E-03 1.9510490E-03 13 6.8597086E+02 1.6553568E-01 -9.0668742E-02 4.4834487E-02 -1.6605943E-02 3.9560230E-03 14 3.6145308E+02 2.6659018E-01 -1.5236065E-01 7.6165827E-02 -2.8250669E-02 6.7352819E-03 15 1.9527396E+02 3.1357953E-01 -1.7949093E-01 8.9727248E-02 -3.3330574E-02 7.9388111E-03 16 1.0735336E+02 2.2109479E-01 -5.3175230E-02 1.2731800E-02 -3.4476986E-03 8.0082209E-04 17 5.9724273E+01 7.1422677E-02 2.5442429E-01 -1.9001138E-01 7.6085255E-02 -1.8311414E-02 18 3.3913452E+01 7.1064308E-03 4.7393268E-01 -3.7940420E-01 1.5650999E-01 -3.7667328E-02 19 1.9529268E+01 4.7945275E-04 3.1486862E-01 -1.8641576E-01 6.4702626E-02 -1.5349773E-02 20 1.1201366E+01 -1.6484029E-04 7.9376180E-02 3.2104510E-01 -1.7980072E-01 4.4819831E-02 21 6.2926421E+00 -8.9392445E-06 6.3913784E-03 5.6037383E-01 -3.3031048E-01 8.2715056E-02 22 3.5130231E+00 -3.7417126E-05 7.5211614E-04 3.0761447E-01 -1.7166050E-01 4.3288972E-02 23 1.9027204E+00 1.1952482E-05 -2.3782281E-05 5.3922330E-02 2.4674879E-01 -7.5960493E-02 24 1.0203565E+00 -6.3370425E-06 3.5057621E-05 2.0750851E-03 5.0354478E-01 -1.5575283E-01 25 5.4290210E-01 4.2977812E-06 -3.0270469E-05 6.4075385E-04 3.6139110E-01 -1.4708165E-01 26 2.8497737E-01 -1.9445453E-06 1.2323605E-05 -1.5071973E-04 1.0511079E-01 1.0303887E-02 27 1.3419367E-01 1.0305939E-06 -6.8581136E-06 5.8436730E-05 1.1069912E-02 2.9475143E-01 28 6.5096558E-02 -5.4811177E-07 3.7082178E-06 -4.0707231E-05 8.7553976E-04 4.6755785E-01 29 3.1636489E-02 2.5062737E-07 -1.6500583E-06 1.5534404E-05 3.8355359E-04 3.1875781E-01 30 1.5290393E-02 -7.1172081E-08 4.8026998E-07 -4.8069328E-06 -2.8444779E-05 5.0592691E-02 2p+ 3p+ 4p+ 5p+ 6p+ 1 5.2419849E+07 5.0474176E-08 -2.5924362E-08 1.2572946E-08 -4.5078206E-09 1.0678217E-09 2 1.4285350E+07 2.2543099E-07 -1.1581431E-07 5.6043550E-08 -2.0033904E-08 4.7489907E-09 3 4.3127118E+06 9.6163018E-07 -4.9445670E-07 2.3976226E-07 -8.5919300E-08 2.0355498E-08 4 1.4163009E+06 3.7651496E-06 -1.9376797E-06 9.3839561E-07 -3.3564383E-07 7.9554979E-08 5 4.9732819E+05 1.4295802E-05 -7.3678121E-06 3.5736950E-06 -1.2803742E-06 3.0336456E-07 6 1.8488054E+05 5.3008725E-05 -2.7363376E-05 1.3263427E-05 -4.7458226E-06 1.1248199E-06 7 7.2301995E+04 1.9337641E-04 -1.0003109E-04 4.8553705E-05 -1.7395550E-05 4.1218498E-06 8 2.9664024E+04 6.8757277E-04 -3.5655768E-04 1.7303071E-04 -6.1934992E-05 1.4679194E-05 9 1.2764385E+04 2.3449386E-03 -1.2205613E-03 5.9324543E-04 -2.1258324E-04 5.0374113E-05 10 5.7608252E+03 7.5009324E-03 -3.9282096E-03 1.9107599E-03 -6.8431181E-04 1.6219348E-04 11 2.7223146E+03 2.2047495E-02 -1.1676600E-02 5.6982332E-03 -2.0435195E-03 4.8428123E-04 12 1.3416600E+03 5.8067019E-02 -3.1386129E-02 1.5380894E-02 -5.5168171E-03 1.3077834E-03 13 6.8597086E+02 1.3175275E-01 -7.3602339E-02 3.6378333E-02 -1.3080859E-02 3.1007231E-03 14 3.6145308E+02 2.4168707E-01 -1.4138538E-01 7.0645638E-02 -2.5437017E-02 6.0326845E-03 15 1.9527396E+02 3.2360844E-01 -1.9692112E-01 9.9582718E-02 -3.5994086E-02 8.5349659E-03 16 1.0735336E+02 2.6605040E-01 -1.1857047E-01 5.1884923E-02 -1.8019958E-02 4.2625595E-03 17 5.9724273E+01 1.0605349E-01 1.7335035E-01 -1.3343520E-01 5.1860159E-02 -1.2406894E-02 18 3.3913452E+01 1.4002034E-02 4.6504939E-01 -3.6963010E-01 1.4707845E-01 -3.5197495E-02 19 1.9529268E+01 9.8846970E-04 3.7783786E-01 -2.7509677E-01 1.0303960E-01 -2.4552734E-02 20 1.1201366E+01 -3.1872694E-04 1.1923574E-01 2.1446415E-01 -1.1879961E-01 2.9395471E-02 21 6.2926421E+00 7.4675983E-05 1.2487935E-02 5.5639968E-01 -3.0894318E-01 7.6501660E-02 22 3.5130231E+00 -1.0623474E-04 1.0135049E-03 3.8348896E-01 -2.3690054E-01 5.9769169E-02 23 1.9027204E+00 5.1871394E-05 4.1373016E-05 8.8428954E-02 1.4484407E-01 -4.4252529E-02 24 1.0203565E+00 -3.0712154E-05 1.1693433E-05 4.6896355E-03 4.6999354E-01 -1.3953217E-01 25 5.4290210E-01 1.8919755E-05 -2.1861446E-05 1.0772530E-03 4.1923984E-01 -1.5917717E-01 26 2.8497737E-01 -9.5590473E-06 6.8846612E-06 -2.5042609E-04 1.6344555E-01 -4.6585303E-02 27 1.3419367E-01 4.8167151E-06 -4.4903882E-06 1.1043132E-04 2.2841206E-02 2.2186475E-01 28 6.5096558E-02 -2.6249907E-06 2.3727831E-06 -7.1089123E-05 9.7489753E-04 4.5505497E-01 29 3.1636489E-02 1.2073064E-06 -1.0166064E-06 2.8320867E-05 8.4379566E-04 3.8676945E-01 30 1.5290393E-02 -3.4053507E-07 3.1503533E-07 -8.7598392E-06 -8.2720979E-05 9.0014793E-02 3d- 4d- 5d- 1 5.0409736E+04 3.3272651E-05 -1.6462770E-05 3.7370920E-06 2 1.2221890E+04 1.7329239E-04 -8.5756013E-05 1.9466044E-05 3 4.1163339E+03 7.9321967E-04 -3.9391777E-04 8.9472420E-05 4 1.6559855E+03 3.3561751E-03 -1.6701347E-03 3.7942526E-04 5 7.4718049E+02 1.2674323E-02 -6.3561856E-03 1.4458688E-03 6 3.6459596E+02 4.0507059E-02 -2.0470979E-02 4.6615736E-03 7 1.8772941E+02 1.0625769E-01 -5.4684556E-02 1.2489181E-02 8 1.0059430E+02 2.1679638E-01 -1.1226083E-01 2.5654003E-02 9 5.5213666E+01 3.2213974E-01 -1.6219321E-01 3.6931370E-02 10 3.0885766E+01 3.1187139E-01 -1.1915536E-01 2.5303789E-02 11 1.7343109E+01 1.6374641E-01 1.0573889E-01 -3.3371731E-02 12 9.6073363E+00 3.8076605E-02 3.6307788E-01 -9.9199710E-02 13 5.2355996E+00 3.1669379E-03 4.1216770E-01 -1.1016503E-01 14 2.7855958E+00 4.8801682E-04 2.2639101E-01 -1.6267774E-02 15 1.4134921E+00 4.3541041E-05 5.0139673E-02 1.7237073E-01 16 6.7975565E-01 2.6004879E-05 2.9623825E-03 3.3628494E-01 17 3.1299064E-01 -7.7423743E-06 4.5933004E-04 3.7572595E-01 18 1.3717444E-01 1.8360817E-06 -2.9907049E-05 2.7637188E-01 19 5.6247070E-02 -1.2673255E-06 4.6884196E-05 1.0035580E-01 3d+ 4d+ 5d+ 1 5.0409736E+04 4.1023716E-06 -2.0313704E-06 4.4895481E-07 2 1.2221890E+04 5.2693330E-05 -2.6003904E-05 5.7412866E-06 3 4.1163339E+03 4.0909285E-04 -2.0282854E-04 4.4829041E-05 4 1.6559855E+03 2.3128213E-03 -1.1476818E-03 2.5362252E-04 5 7.4718049E+02 1.0204866E-02 -5.1032946E-03 1.1293229E-03 6 3.6459596E+02 3.5628861E-02 -1.7949852E-02 3.9757785E-03 7 1.8772941E+02 9.8430293E-02 -5.0509788E-02 1.1221273E-02 8 1.0059430E+02 2.0796081E-01 -1.0762423E-01 2.3930428E-02 9 5.5213666E+01 3.1887956E-01 -1.6133214E-01 3.5782007E-02 10 3.0885766E+01 3.1952543E-01 -1.2812927E-01 2.6878034E-02 11 1.7343109E+01 1.7461745E-01 8.7205073E-02 -2.7581581E-02 12 9.6073363E+00 4.2695575E-02 3.4998516E-01 -9.2948428E-02 13 5.2355996E+00 3.6878351E-03 4.1839262E-01 -1.0931317E-01 14 2.7855958E+00 5.5918764E-04 2.4224129E-01 -2.6298622E-02 15 1.4134921E+00 4.9590012E-05 5.7224464E-02 1.5382161E-01 16 6.7975565E-01 3.1978782E-05 3.5842572E-03 3.2263900E-01 17 3.1299064E-01 -9.5103221E-06 5.5998746E-04 3.7860461E-01 18 1.3717444E-01 2.5072864E-06 -3.9265037E-05 2.9271396E-01 19 5.6247070E-02 -1.5802039E-06 5.8745332E-05 1.1937921E-01 4f- 1 1.0869211E+03 1.4899342E-04 2 3.7092503E+02 1.3595274E-03 3 1.5835812E+02 7.7396303E-03 4 7.5984092E+01 3.0045944E-02 5 3.8612612E+01 8.3669412E-02 6 2.0337262E+01 1.7692884E-01 7 1.0812057E+01 2.7161708E-01 8 5.6262001E+00 3.1753600E-01 9 2.7897356E+00 2.8311715E-01 10 1.2637906E+00 1.7254541E-01 11 4.9140560E-01 4.8124983E-02 12 1.8408649E-01 1.2632518E-03 4f+ 1 1.0869211E+03 1.1036956E-04 2 3.7092503E+02 1.1895201E-03 3 1.5835812E+02 7.1507920E-03 4 7.5984092E+01 2.8579585E-02 5 3.8612612E+01 8.1045242E-02 6 2.0337262E+01 1.7283098E-01 7 1.0812057E+01 2.6777093E-01 8 5.6262001E+00 3.1725548E-01 9 2.7897356E+00 2.8673967E-01 10 1.2637906E+00 1.7910710E-01 11 4.9140560E-01 5.2691677E-02 12 1.8408649E-01 1.8045361E-03 Small component functions ------------------------- 1s+ 2s+ 3s+ 4s+ 5s+ 6s+ 1 6.4638514E+07 -1.5962526E-04 6.0165630E-05 -2.8496575E-05 1.3956002E-05 5.5932415E-06 1.5584689E-06 2 1.7191660E+07 -5.4467746E-04 2.0531330E-04 -9.7249945E-05 4.7627247E-05 1.9089628E-05 5.3191641E-06 3 5.8821453E+06 -1.0426299E-03 3.9320426E-04 -1.8624906E-04 9.1216383E-05 3.6556519E-05 1.0185821E-05 4 2.2386972E+06 -1.9037024E-03 7.1831884E-04 -3.4030909E-04 1.6666903E-04 6.6806929E-05 1.8615469E-05 5 9.3109986E+05 -3.1820340E-03 1.2019098E-03 -5.6943652E-04 2.7890278E-04 1.1177037E-04 3.1142376E-05 6 4.0882372E+05 -5.2545875E-03 1.9876292E-03 -9.4207850E-04 4.6143331E-04 1.8497464E-04 5.1543489E-05 7 1.8764755E+05 -8.3788885E-03 3.1780511E-03 -1.5066843E-03 7.3808258E-04 2.9577923E-04 8.2411356E-05 8 8.8873082E+04 -1.3172448E-02 5.0182413E-03 -2.3814716E-03 1.1667842E-03 4.6778991E-04 1.3035411E-04 9 4.3219270E+04 -2.0147084E-02 7.7378770E-03 -3.6761969E-03 1.8018045E-03 7.2209128E-04 2.0119178E-04 10 2.1466929E+04 -2.9992902E-02 1.1683366E-02 -5.5661389E-03 2.7295925E-03 1.0946676E-03 3.0505524E-04 11 1.0863421E+04 -4.2635250E-02 1.7042604E-02 -8.1529946E-03 4.0027405E-03 1.6046028E-03 4.4709259E-04 12 5.5960817E+03 -5.6402634E-02 2.3596787E-02 -1.1385326E-02 5.6001622E-03 2.2477363E-03 6.2647158E-04 13 2.9373561E+03 -6.6192463E-02 2.9996229E-02 -1.4674747E-02 7.2440619E-03 2.9068875E-03 8.1003620E-04 14 1.5726624E+03 -6.3975654E-02 3.2971616E-02 -1.6544384E-02 8.2144926E-03 3.3057998E-03 9.2177951E-04 15 8.5889297E+02 -4.4893432E-02 2.7095367E-02 -1.4037225E-02 7.0299896E-03 2.8262034E-03 7.8759094E-04 16 4.7870086E+02 -1.8739846E-02 8.2520142E-03 -4.0533176E-03 1.9960991E-03 8.1253183E-04 2.2736458E-04 17 2.7574448E+02 -3.4088828E-03 -1.6461559E-02 1.2212376E-02 -6.6269496E-03 -2.7438268E-03 -7.6906627E-04 18 1.6964466E+02 -3.2744797E-04 -2.6594440E-02 2.2764336E-02 -1.2982086E-02 -5.3374265E-03 -1.4904835E-03 19 1.1261962E+02 4.7212960E-05 -2.2459757E-02 2.3806153E-02 -1.4109987E-02 -5.9807749E-03 -1.6827648E-03 20 7.2371181E+01 -3.7232229E-05 -1.4492367E-02 1.6100274E-02 -1.0249481E-02 -4.3092734E-03 -1.2056240E-03 21 4.2325898E+01 2.2160364E-05 -3.1770484E-03 -8.3727477E-03 7.2425047E-03 3.1922938E-03 8.9800481E-04 22 2.6578434E+01 -1.2228229E-05 1.2318880E-05 -2.0887960E-02 2.3328252E-02 1.1586261E-02 3.3328276E-03 23 1.6211799E+01 7.1261883E-06 -8.3806363E-05 -1.1231676E-02 1.5100504E-02 7.3021337E-03 2.0804711E-03 24 9.7428880E+00 -3.7702147E-06 3.3974767E-05 -2.0464818E-03 -4.4671102E-03 -2.8366908E-03 -8.1969882E-04 25 5.6927686E+00 1.8782551E-06 -1.2238653E-05 -1.2834126E-04 -1.1933913E-02 -9.3494873E-03 -2.8988201E-03 26 3.2966756E+00 -1.0674875E-06 6.8169282E-06 -9.4615775E-06 -5.2539161E-03 -6.1681085E-03 -2.0486914E-03 27 1.9110337E+00 6.1152986E-07 -3.3430880E-06 -1.1975826E-06 -6.0017323E-04 6.2282474E-04 2.7342322E-04 28 1.1247795E+00 -3.3148517E-07 1.5459785E-06 8.8323603E-07 -4.4404576E-05 4.0242712E-03 1.6584381E-03 29 6.3622230E-01 1.6038156E-07 -6.5443298E-07 -3.2038550E-08 3.0681131E-06 2.7982705E-03 1.6208016E-03 30 3.6230173E-01 -6.7229368E-08 2.2494468E-07 8.9595583E-08 -3.0318864E-06 6.6465521E-04 6.9851938E-04 31 1.6667233E-01 2.5413073E-08 -6.5099305E-08 -8.6528678E-09 6.5770684E-07 4.8597272E-05 -4.6242283E-04 32 8.6724950E-02 -1.3773310E-08 2.7295870E-08 -8.4234588E-10 -2.6198581E-07 -4.4411558E-06 -9.6401746E-04 33 4.4339877E-02 5.7528329E-09 -8.3957524E-09 7.7594237E-10 9.6785843E-08 3.4659841E-06 -5.9773731E-04 34 2.2403507E-02 -1.4569708E-09 1.5474666E-09 -9.3558654E-10 -1.1981375E-08 -1.3252281E-07 -9.2676998E-05 2p- 3p- 4p- 5p- 6p- 1 5.2419849E+07 -5.9206712E-06 2.9649553E-06 -1.4356169E-06 5.2925924E-07 -1.2604166E-07 2 1.4285350E+07 -2.0198142E-05 1.0119261E-05 -4.8999770E-06 1.8059654E-06 -4.3015095E-07 3 4.3127118E+06 -4.8224710E-05 2.4173312E-05 -1.1707214E-05 4.3162933E-06 -1.0279094E-06 4 1.4163009E+06 -1.0357902E-04 5.1972208E-05 -2.5174734E-05 9.2788297E-06 -2.2101303E-06 5 4.9732819E+05 -2.1381267E-04 1.0741917E-04 -5.2050684E-05 1.9193368E-05 -4.5707701E-06 6 1.8488054E+05 -4.3492754E-04 2.1894051E-04 -1.0613012E-04 3.9121503E-05 -9.3187399E-06 7 7.2301995E+04 -8.8201421E-04 4.4507933E-04 -2.1588401E-04 7.9625323E-05 -1.8962316E-05 8 2.9664024E+04 -1.7824535E-03 9.0260356E-04 -4.3812086E-04 1.6154064E-04 -3.8480676E-05 9 1.2764385E+04 -3.5586810E-03 1.8104723E-03 -8.7980408E-04 3.2463552E-04 -7.7312402E-05 10 5.7608252E+03 -6.9017854E-03 3.5379954E-03 -1.7221655E-03 6.3534098E-04 -1.5135671E-04 11 2.7223146E+03 -1.2731759E-02 6.6088492E-03 -3.2265796E-03 1.1917715E-03 -2.8384601E-04 12 1.3416600E+03 -2.1657130E-02 1.1494216E-02 -5.6404819E-03 2.0843045E-03 -4.9664974E-04 13 6.8597086E+02 -3.2337410E-02 1.7756090E-02 -8.7847100E-03 3.2541591E-03 -7.7523278E-04 14 3.6145308E+02 -3.9330159E-02 2.2560709E-02 -1.1286322E-02 4.1867121E-03 -9.9818702E-04 15 1.9527396E+02 -3.4622606E-02 1.9960185E-02 -9.9958524E-03 3.7146307E-03 -8.8479345E-04 16 1.0735336E+02 -1.8040243E-02 4.3874814E-03 -1.0634203E-03 2.9007262E-04 -6.7453558E-05 17 5.9724273E+01 -4.0564651E-03 -1.6032319E-02 1.1928231E-02 -4.7735012E-03 1.1487724E-03 18 3.3913452E+01 -3.4310589E-05 -2.2537056E-02 1.8010311E-02 -7.4277466E-03 1.7876000E-03 19 1.9529268E+01 1.8302075E-04 -1.1377937E-02 6.7487090E-03 -2.3463426E-03 5.5674597E-04 20 1.1201366E+01 1.4086723E-04 -2.1751718E-03 -8.7416296E-03 4.8969675E-03 -1.2207264E-03 21 6.2926421E+00 9.0313317E-05 -1.3360761E-04 -1.1456101E-02 6.7538357E-03 -1.6912901E-03 22 3.5130231E+00 6.0829392E-05 -1.2945395E-05 -4.6962701E-03 2.6230610E-03 -6.6155319E-04 23 1.9027204E+00 3.8981304E-05 -8.0960342E-07 -6.0075669E-04 -2.7777851E-03 8.5498903E-04 24 1.0203565E+00 2.5704666E-05 -9.0595277E-07 -1.3052411E-05 -4.1505574E-03 1.2837343E-03 25 5.4290210E-01 1.4672446E-05 -2.2001548E-07 -1.4750024E-06 -2.1729712E-03 8.8428085E-04 26 2.8497737E-01 1.1595771E-05 -3.3873454E-07 2.4949702E-06 -4.5811277E-04 -4.4772556E-05 27 1.3419367E-01 5.5414684E-06 -1.2822980E-07 7.1892658E-07 -3.3234546E-05 -8.8087650E-04 28 6.5096558E-02 5.0909569E-06 -1.3501810E-07 8.9464059E-07 -1.9537158E-06 -9.7322458E-04 29 3.1636489E-02 2.1097390E-07 -4.7089012E-09 1.3135710E-08 -5.6305684E-07 -4.6256661E-04 30 1.5290393E-02 3.0839319E-06 -7.9213502E-08 4.9736240E-07 -5.1667873E-08 -5.1011087E-05 2p+ 3p+ 4p+ 5p+ 6p+ 1 5.2419849E+07 -1.0245566E-07 5.2628161E-08 -2.5648657E-08 9.2536872E-09 -2.1888525E-09 2 1.4285350E+07 -5.2636061E-07 2.7007852E-07 -1.3026714E-07 4.6382955E-08 -1.1004899E-08 3 4.3127118E+06 -2.0999531E-06 1.0783450E-06 -5.2373488E-07 1.8813589E-07 -4.4546119E-08 4 1.4163009E+06 -7.5845164E-06 3.8930793E-06 -1.8819613E-06 6.7199878E-07 -1.5933461E-07 5 4.9732819E+05 -2.5461072E-05 1.3075670E-05 -6.3417124E-06 2.2738650E-06 -5.3862943E-07 6 1.8488054E+05 -7.9892360E-05 4.1032770E-05 -1.9857323E-05 7.0995171E-06 -1.6828530E-06 7 7.2301995E+04 -2.3573501E-04 1.2117724E-04 -5.8747650E-05 2.1048394E-05 -4.9868659E-06 8 2.9664024E+04 -6.5100738E-04 3.3507330E-04 -1.6230098E-04 5.8063214E-05 -1.3761632E-05 9 1.2764385E+04 -1.6728437E-03 8.6359149E-04 -4.1898909E-04 1.5009892E-04 -3.5565472E-05 10 5.7608252E+03 -3.9563673E-03 2.0541136E-03 -9.9714107E-04 3.5694639E-04 -8.4600036E-05 11 2.7223146E+03 -8.5253045E-03 4.4763833E-03 -2.1803082E-03 7.8163008E-04 -1.8522481E-04 12 1.3416600E+03 -1.6441182E-02 8.8130644E-03 -4.3107127E-03 1.5455436E-03 -3.6636483E-04 13 6.8597086E+02 -2.7396432E-02 1.5188606E-02 -7.4946324E-03 2.6940444E-03 -6.3858031E-04 14 3.6145308E+02 -3.7078516E-02 2.1545529E-02 -1.0750115E-02 3.8695922E-03 -9.1769381E-04 15 1.9527396E+02 -3.6860472E-02 2.2310898E-02 -1.1272464E-02 4.0737667E-03 -9.6596105E-04 16 1.0735336E+02 -2.2595880E-02 1.0069824E-02 -4.4192915E-03 1.5362212E-03 -3.6341848E-04 17 5.9724273E+01 -6.7355066E-03 -1.0853913E-02 8.3454761E-03 -3.2426286E-03 7.7574354E-04 18 3.3913452E+01 -6.7136752E-04 -2.2084862E-02 1.7530067E-02 -6.9737999E-03 1.6688708E-03 19 1.9529268E+01 -3.5550088E-05 -1.3641851E-02 9.9268830E-03 -3.7189052E-03 8.8618007E-04 20 1.1201366E+01 8.5466476E-06 -3.2610708E-03 -5.8484519E-03 3.2390007E-03 -8.0143593E-04 21 6.2926421E+00 -1.4129352E-06 -2.5640146E-04 -1.1387142E-02 6.3209991E-03 -1.5651871E-03 22 3.5130231E+00 1.5529003E-06 -1.5290956E-05 -5.8662073E-03 3.6230606E-03 -9.1407908E-04 23 1.9027204E+00 -5.3941965E-07 -5.9390676E-07 -9.9540701E-04 -1.6297290E-03 4.9789569E-04 24 1.0203565E+00 2.2560944E-07 -2.0101411E-08 -3.8736205E-05 -3.8732907E-03 1.1498730E-03 25 5.4290210E-01 -9.7458355E-08 8.7500940E-08 -6.4338879E-06 -2.5203290E-03 9.5688706E-04 26 2.8497737E-01 3.3027630E-08 -7.1923628E-09 1.0684443E-06 -7.1188251E-04 2.0290214E-04 27 1.3419367E-01 -1.0086765E-08 2.1738477E-09 -3.1899078E-07 -6.8272373E-05 -6.6308723E-04 28 6.5096558E-02 3.0449817E-09 1.3131940E-09 1.4181823E-07 -2.0270322E-06 -9.4724690E-04 29 3.1636489E-02 -5.8409821E-10 -1.5224049E-09 -3.8136250E-08 -1.2256105E-06 -5.6126390E-04 30 1.5290393E-02 -1.5382121E-11 5.9888055E-10 7.9301399E-09 8.3794606E-08 -9.0812415E-05 3d- 4d- 5d- 1 5.0409736E+04 -1.1961459E-05 5.9344443E-06 -1.3478183E-06 2 1.2221890E+04 -7.0252714E-05 3.4772590E-05 -7.8929490E-06 3 4.1163339E+03 -2.9848100E-04 1.4839796E-04 -3.3713071E-05 4 1.6559855E+03 -1.0289389E-03 5.1211206E-04 -1.1634429E-04 5 7.4718049E+02 -2.9563056E-03 1.4829630E-03 -3.3735014E-04 6 3.6459596E+02 -7.0212219E-03 3.5485417E-03 -8.0806680E-04 7 1.8772941E+02 -1.3623941E-02 7.0125265E-03 -1.6015988E-03 8 1.0059430E+02 -2.0657902E-02 1.0702286E-02 -2.4458861E-03 9 5.5213666E+01 -2.2916236E-02 1.1547852E-02 -2.6297897E-03 10 3.0885766E+01 -1.6648848E-02 6.3744380E-03 -1.3544773E-03 11 1.7343109E+01 -6.5448466E-03 -4.2376542E-03 1.3372186E-03 12 9.6073363E+00 -1.1182882E-03 -1.0852665E-02 2.9650060E-03 13 5.2355996E+00 -5.9055562E-05 -9.0994124E-03 2.4323170E-03 14 2.7855958E+00 -2.6122137E-06 -3.6455792E-03 2.6232813E-04 15 1.4134921E+00 1.9665753E-06 -5.7430464E-04 -1.9779204E-03 16 6.7975565E-01 8.3198583E-07 -2.3060239E-05 -2.6762894E-03 17 3.1299064E-01 4.7500783E-07 -2.2576843E-06 -2.0290916E-03 18 1.3717444E-01 1.3885053E-07 1.7952720E-07 -9.8810212E-04 19 5.6247070E-02 8.0023775E-08 -6.7743896E-08 -2.2974579E-04 3d+ 4d+ 5d+ 1 5.0409736E+04 -5.2818000E-06 2.6149920E-06 -5.7801300E-07 2 1.2221890E+04 -4.2845585E-05 2.1098854E-05 -4.6566108E-06 3 4.1163339E+03 -2.1828137E-04 1.0804381E-04 -2.3874308E-05 4 1.6559855E+03 -8.3587053E-04 4.1400031E-04 -9.1462387E-05 5 7.4718049E+02 -2.5710702E-03 1.2836027E-03 -2.8398294E-04 6 3.6459596E+02 -6.4033947E-03 3.2209998E-03 -7.1326638E-04 7 1.8772941E+02 -1.2852753E-02 6.5863119E-03 -1.4629250E-03 8 1.0059430E+02 -2.0019018E-02 1.0348268E-02 -2.3005849E-03 9 5.5213666E+01 -2.2824631E-02 1.1537988E-02 -2.5587500E-03 10 3.0885766E+01 -1.7143811E-02 6.8750751E-03 -1.4425016E-03 11 1.7343109E+01 -7.0275338E-03 -3.4952071E-03 1.1057662E-03 12 9.6073363E+00 -1.2793656E-03 -1.0467172E-02 2.7794602E-03 13 5.2355996E+00 -8.1522961E-05 -9.2415988E-03 2.4142279E-03 14 2.7855958E+00 -9.0344273E-06 -3.9035520E-03 4.2390710E-04 15 1.4134921E+00 -5.5919488E-07 -6.5689013E-04 -1.7652468E-03 16 6.7975565E-01 -2.5928267E-07 -2.8533852E-05 -2.5678320E-03 17 3.1299064E-01 5.3507041E-08 -3.0236346E-06 -2.0447200E-03 18 1.3717444E-01 -9.8479295E-09 1.4001786E-07 -1.0465614E-03 19 5.6247070E-02 3.8886914E-09 -1.3437167E-07 -2.7331577E-04 4f- 1 1.0869211E+03 -4.2990966E-05 2 3.7092503E+02 -2.6480748E-04 3 1.5835812E+02 -1.0295462E-03 4 7.5984092E+01 -2.8216434E-03 5 3.8612612E+01 -5.6479937E-03 6 2.0337262E+01 -8.7006642E-03 7 1.0812057E+01 -9.7576828E-03 8 5.6262001E+00 -8.2362981E-03 9 2.7897356E+00 -5.1732449E-03 10 1.2637906E+00 -2.1224129E-03 11 4.9140560E-01 -3.6909204E-04 12 1.8408649E-01 -5.8972711E-06 4f+ 1 1.0869211E+03 -3.7169139E-05 2 3.7092503E+02 -2.4306138E-04 3 1.5835812E+02 -9.7042041E-04 4 7.5984092E+01 -2.7074319E-03 5 3.8612612E+01 -5.4931419E-03 6 2.0337262E+01 -8.5189053E-03 7 1.0812057E+01 -9.6317309E-03 8 5.6262001E+00 -8.2351338E-03 9 2.7897356E+00 -5.2420220E-03 10 1.2637906E+00 -2.2039796E-03 11 4.9140560E-01 -4.0432441E-04 12 1.8408649E-01 -8.4749310E-06 ** W 184 ** Large component functions ------------------------- 1s+ 2s+ 3s+ 4s+ 5s+ 6s+ 1 6.4137274E+07 1.3308480E-04 -5.0507631E-05 2.3977612E-05 -1.1782422E-05 4.7936360E-06 -1.3569061E-06 2 1.7067624E+07 3.1689341E-04 -1.2066599E-04 5.7314817E-05 -2.8167673E-05 1.1460340E-05 -3.2440357E-06 3 5.8454686E+06 6.3685530E-04 -2.4338753E-04 1.1567197E-04 -5.6855310E-05 2.3132656E-05 -6.5480664E-06 4 2.2274049E+06 1.1732435E-03 -4.5089850E-04 2.1448724E-04 -1.0544783E-04 4.2906438E-05 -1.2145551E-05 5 9.2735944E+05 2.1389565E-03 -8.2740871E-04 3.9398293E-04 -1.9373878E-04 7.8833590E-05 -2.2315330E-05 6 4.0726404E+05 3.8590153E-03 -1.5055067E-03 7.1785377E-04 -3.5311534E-04 1.4370243E-04 -4.0678981E-05 7 1.8676732E+05 7.0326339E-03 -2.7707054E-03 1.3230894E-03 -6.5106226E-04 2.6495758E-04 -7.5002275E-05 8 8.8268163E+04 1.2910699E-02 -5.1475489E-03 2.4629094E-03 -1.2125050E-03 4.9354063E-04 -1.3971580E-04 9 4.2812203E+04 2.3814932E-02 -9.6361594E-03 4.6209815E-03 -2.2761586E-03 9.2649647E-04 -2.6227136E-04 10 2.1231782E+04 4.3636439E-02 -1.8009719E-02 8.6657226E-03 -4.2719305E-03 1.7394548E-03 -4.9245022E-04 11 1.0750646E+04 7.8005475E-02 -3.3170156E-02 1.6038281E-02 -7.9155896E-03 3.2233135E-03 -9.1249369E-04 12 5.5500686E+03 1.3191107E-01 -5.8853868E-02 2.8701101E-02 -1.4194486E-02 5.7844002E-03 -1.6378231E-03 13 2.9201293E+03 2.0043998E-01 -9.6969854E-02 4.7962146E-02 -2.3801501E-02 9.7035382E-03 -2.7473805E-03 14 1.5655731E+03 2.5186524E-01 -1.3835456E-01 7.0116454E-02 -3.5003017E-02 1.4297702E-02 -4.0499564E-03 15 8.5493986E+02 2.2869750E-01 -1.4518094E-01 7.5775325E-02 -3.8105143E-02 1.5573973E-02 -4.4103643E-03 16 4.7528922E+02 1.2168776E-01 -4.4124202E-02 1.9380259E-02 -9.2934333E-03 3.7883327E-03 -1.0752390E-03 17 2.6897852E+02 2.7076990E-02 1.9833022E-01 -1.5030498E-01 8.2565420E-02 -3.4551991E-02 9.8284719E-03 18 1.5894220E+02 2.0224051E-03 3.9015129E-01 -3.5493958E-01 2.0539812E-01 -8.6532145E-02 2.4596637E-02 19 1.0297127E+02 -3.1039732E-04 2.8205892E-01 -3.1692397E-01 1.9186951E-01 -8.2580363E-02 2.3630269E-02 20 7.2276650E+01 4.3660720E-04 2.0693098E-01 -2.2769107E-01 1.4631557E-01 -6.2877563E-02 1.7852355E-02 21 4.4994511E+01 -3.3663365E-04 7.5517920E-02 1.7499022E-01 -1.5104024E-01 6.8220276E-02 -1.9501473E-02 22 2.8432570E+01 1.7589887E-04 3.1547626E-03 6.2749952E-01 -6.9484273E-01 3.4803159E-01 -1.0174158E-01 23 1.7374987E+01 -1.2341948E-04 2.0943104E-03 4.6921346E-01 -6.3003870E-01 3.1452191E-01 -9.1399584E-02 24 1.0330107E+01 7.5634499E-05 -9.8467148E-04 1.1756985E-01 1.8009199E-01 -1.2461786E-01 3.6802333E-02 25 6.0943725E+00 -4.1279060E-05 3.7531633E-04 7.6914209E-03 7.8046739E-01 -6.0684948E-01 1.9127305E-01 26 3.5592554E+00 2.6964545E-05 -2.9312177E-04 1.8452838E-03 4.9062273E-01 -5.9035391E-01 2.0035808E-01 27 1.9991832E+00 -1.5945387E-05 1.6209719E-04 -3.6645645E-04 8.2347844E-02 9.6857889E-02 -4.3456992E-02 28 1.1333452E+00 9.7256297E-06 -9.3680633E-05 1.5953709E-04 1.5623115E-03 6.6836378E-01 -2.9125449E-01 29 6.3294538E-01 -5.9610380E-06 6.0140263E-05 -1.5936361E-04 1.4582241E-03 5.2266423E-01 -3.3038892E-01 30 3.4800010E-01 3.2958888E-06 -3.2329831E-05 6.5163069E-05 -2.1924421E-04 1.3080891E-01 -1.4618504E-01 31 1.8739735E-01 -1.6799752E-06 1.6603632E-05 -3.6346833E-05 1.5855140E-04 8.6219433E-03 1.8898101E-01 32 9.5457425E-02 7.5978529E-07 -7.5554479E-06 1.6952646E-05 -7.3004376E-05 2.2440343E-03 5.0716885E-01 33 4.8435729E-02 -2.9555321E-07 2.8786510E-06 -5.5769095E-06 1.2429252E-05 9.7358886E-04 4.5844417E-01 34 2.4280403E-02 6.8903501E-08 -6.9129894E-07 1.6359765E-06 -7.8981643E-06 2.7098255E-04 1.0542179E-01 2p- 3p- 4p- 5p- 6p- 1 5.3609439E+07 1.9420883E-05 -9.7448410E-06 4.7371338E-06 -1.7807056E-06 4.2843980E-07 2 1.4855009E+07 6.3064791E-05 -3.1645066E-05 1.5383249E-05 -5.7825499E-06 1.3912959E-06 3 4.5358814E+06 1.4331591E-04 -7.1920902E-05 3.4963034E-05 -1.3142854E-05 3.1621840E-06 4 1.5033066E+06 2.9516867E-04 -1.4815226E-04 7.2023922E-05 -2.7073884E-05 6.5140744E-06 5 5.3180668E+05 5.8069651E-04 -2.9156615E-04 1.4175728E-04 -5.3289667E-05 1.2821514E-05 6 1.9879132E+05 1.1193212E-03 -5.6241811E-04 2.7348435E-04 -1.0280613E-04 2.4735909E-05 7 7.8022969E+04 2.1519066E-03 -1.0828098E-03 5.2672391E-04 -1.9803571E-04 4.7647295E-05 8 3.2080496E+04 4.2012133E-03 -2.1199769E-03 1.0318690E-03 -3.8795000E-04 9.3348146E-05 9 1.3819183E+04 8.4827471E-03 -4.3016624E-03 2.0963241E-03 -7.8853665E-04 1.8972310E-04 10 6.2371520E+03 1.7855972E-02 -9.1307737E-03 4.4578235E-03 -1.6769088E-03 4.0354462E-04 11 2.9445083E+03 3.8613882E-02 -2.0010954E-02 9.8016511E-03 -3.6913396E-03 8.8820426E-04 12 1.4486417E+03 8.2110454E-02 -4.3504674E-02 2.1416566E-02 -8.0694582E-03 1.9424045E-03 13 7.3915063E+02 1.6002592E-01 -8.7627622E-02 4.3488641E-02 -1.6426722E-02 3.9535312E-03 14 3.8872466E+02 2.6087323E-01 -1.4894654E-01 7.4693348E-02 -2.8247515E-02 6.8034739E-03 15 2.0966698E+02 3.1383435E-01 -1.8059022E-01 9.0792620E-02 -3.4415159E-02 8.2824172E-03 16 1.1518899E+02 2.2957854E-01 -6.6064850E-02 2.0643592E-02 -6.5994437E-03 1.5672835E-03 17 6.4054716E+01 7.8645083E-02 2.3547900E-01 -1.7752238E-01 7.2547935E-02 -1.7649957E-02 18 3.6303223E+01 8.4211016E-03 4.7220850E-01 -3.7816438E-01 1.5922197E-01 -3.8746711E-02 19 2.0885271E+01 5.9561304E-04 3.3013563E-01 -2.0911958E-01 7.6740937E-02 -1.8453619E-02 20 1.1965242E+01 -2.0946297E-04 8.7685479E-02 3.0171224E-01 -1.7446440E-01 4.4090694E-02 21 6.7137508E+00 2.3266884E-05 7.2230832E-03 5.6526389E-01 -3.4057313E-01 8.6448376E-02 22 3.7556932E+00 -6.1375590E-05 8.3113812E-04 3.2028291E-01 -1.8775038E-01 4.8100668E-02 23 2.0459508E+00 2.6686250E-05 -5.4373706E-05 5.8192449E-02 2.4459374E-01 -7.7580233E-02 24 1.1024597E+00 -1.4954324E-05 4.9278039E-05 2.3026767E-03 5.1165338E-01 -1.6215212E-01 25 5.8644331E-01 9.4579451E-06 -4.2399630E-05 6.7312286E-04 3.6375765E-01 -1.4650663E-01 26 3.0657991E-01 -4.4830870E-06 1.6861675E-05 -1.5611850E-04 1.0330507E-01 1.9120744E-02 27 1.4414257E-01 2.3018912E-06 -9.5035212E-06 6.4359849E-05 1.0744519E-02 2.9714045E-01 28 6.9532302E-02 -1.2272421E-06 5.0507333E-06 -4.3104064E-05 8.2972339E-04 4.6340342E-01 29 3.3533384E-02 5.5959527E-07 -2.2483660E-06 1.6499705E-05 3.4584767E-04 3.1780377E-01 30 1.6049279E-02 -1.5818573E-07 6.5114784E-07 -5.1111162E-06 -2.4183708E-05 5.0804590E-02 2p+ 3p+ 4p+ 5p+ 6p+ 1 5.3609439E+07 5.1931219E-08 -2.6759842E-08 1.3040825E-08 -4.7761758E-09 1.1297509E-09 2 1.4855009E+07 2.2807267E-07 -1.1752126E-07 5.7099582E-08 -2.0837916E-08 4.9320984E-09 3 4.5358814E+06 9.5906633E-07 -4.9471876E-07 2.4101352E-07 -8.8216933E-08 2.0869684E-08 4 1.5033066E+06 3.6994495E-06 -1.9096172E-06 9.2867038E-07 -3.3914356E-07 8.0264016E-08 5 5.3180668E+05 1.3852684E-05 -7.1620233E-06 3.4898606E-06 -1.2770248E-06 3.0213182E-07 6 1.9879132E+05 5.0745009E-05 -2.6274552E-05 1.2789739E-05 -4.6727202E-06 1.1058419E-06 7 7.8022969E+04 1.8320176E-04 -9.5067657E-05 4.6354931E-05 -1.6961670E-05 4.0131947E-06 8 3.2080496E+04 6.4601196E-04 -3.3603175E-04 1.6376972E-04 -5.9856860E-05 1.4165582E-05 9 1.3819183E+04 2.1906979E-03 -1.1437916E-03 5.5844505E-04 -2.0437264E-04 4.8357994E-05 10 6.2371520E+03 6.9954513E-03 -3.6737250E-03 1.7945832E-03 -6.5627279E-04 1.5531732E-04 11 2.9445083E+03 2.0610164E-02 -1.0941611E-02 5.3628851E-03 -1.9641393E-03 4.6479303E-04 12 1.4486417E+03 5.4640945E-02 -2.9578258E-02 1.4552714E-02 -5.3297948E-03 1.2615823E-03 13 7.3915063E+02 1.2537529E-01 -7.0080088E-02 3.4776078E-02 -1.2770060E-02 3.0226977E-03 14 3.8872466E+02 2.3391582E-01 -1.3675736E-01 6.8567650E-02 -2.5207285E-02 5.9694228E-03 15 2.0966698E+02 3.2135774E-01 -1.9603753E-01 9.9609692E-02 -3.6778095E-02 8.7090513E-03 16 1.1518899E+02 2.7475016E-01 -1.3072298E-01 5.9354776E-02 -2.1225767E-02 5.0157858E-03 17 6.4054716E+01 1.1626352E-01 1.5033216E-01 -1.1863900E-01 4.7212270E-02 -1.1287607E-02 18 3.6303223E+01 1.6724905E-02 4.5689151E-01 -3.6301872E-01 1.4758300E-01 -3.5292279E-02 19 2.0885271E+01 1.1654518E-03 3.9390138E-01 -2.9681941E-01 1.1506053E-01 -2.7418060E-02 20 1.1965242E+01 -3.4478203E-04 1.3148737E-01 1.8829395E-01 -1.0947093E-01 2.7173215E-02 21 6.7137508E+00 9.8849380E-05 1.4401772E-02 5.5571785E-01 -3.1551478E-01 7.8232185E-02 22 3.7556932E+00 -1.2815390E-04 1.0945021E-03 3.9868065E-01 -2.5524453E-01 6.4587140E-02 23 2.0459508E+00 6.5811459E-05 3.4320014E-05 9.5657847E-02 1.3722014E-01 -4.2994073E-02 24 1.1024597E+00 -3.8681370E-05 1.2817381E-05 5.4540332E-03 4.7724785E-01 -1.4344406E-01 25 5.8644331E-01 2.3532827E-05 -2.8818650E-05 1.0951444E-03 4.2453994E-01 -1.5922824E-01 26 3.0657991E-01 -1.1696569E-05 8.1449824E-06 -2.2593650E-04 1.6230039E-01 -4.0463496E-02 27 1.4414257E-01 5.8753604E-06 -5.8035061E-06 1.0694917E-04 2.2165709E-02 2.2117532E-01 28 6.9532302E-02 -3.1624302E-06 2.9613799E-06 -6.7079685E-05 9.9726437E-04 4.4911246E-01 29 3.3533384E-02 1.4454247E-06 -1.2735742E-06 2.6245583E-05 7.4957637E-04 3.8947150E-01 30 1.6049279E-02 -4.0793336E-07 3.9215792E-07 -8.2487225E-06 -6.5253702E-05 9.3715445E-02 3d- 4d- 5d- 1 5.3980043E+04 3.2787181E-05 -1.6342940E-05 4.0012545E-06 2 1.3082378E+04 1.6891867E-04 -8.4217412E-05 2.0623604E-05 3 4.3946436E+03 7.6643891E-04 -3.8342035E-04 9.3919258E-05 4 1.7627043E+03 3.2246650E-03 -1.6166144E-03 3.9624077E-04 5 7.9340011E+02 1.2167306E-02 -6.1462176E-03 1.5078068E-03 6 3.8654776E+02 3.9001567E-02 -1.9852588E-02 4.8776017E-03 7 1.9886348E+02 1.0289952E-01 -5.3322121E-02 1.3134237E-02 8 1.0652881E+02 2.1204287E-01 -1.1067308E-01 2.7295796E-02 9 5.8479281E+01 3.1932742E-01 -1.6236921E-01 3.9879891E-02 10 3.2717024E+01 3.1530014E-01 -1.2447114E-01 2.8714727E-02 11 1.8383016E+01 1.6989575E-01 9.6459775E-02 -3.3834110E-02 12 1.0199655E+01 4.0906319E-02 3.5845304E-01 -1.0626038E-01 13 5.5717106E+00 3.5029260E-03 4.1603745E-01 -1.2124474E-01 14 2.9784222E+00 5.0337081E-04 2.3149141E-01 -1.9373129E-02 15 1.5234874E+00 3.5813175E-05 5.1769500E-02 1.8444326E-01 16 7.4464814E-01 2.4987740E-05 3.1104071E-03 3.4999239E-01 17 3.4869929E-01 -9.8533405E-06 5.1863198E-04 3.7310651E-01 18 1.5511823E-01 1.6312872E-06 -8.3779436E-06 2.5759452E-01 19 6.4363559E-02 -1.4955028E-06 5.3374042E-05 8.5389464E-02 3d+ 4d+ 5d+ 1 5.3980043E+04 3.8624439E-06 -1.9269850E-06 4.5900605E-07 2 1.3082378E+04 4.9360092E-05 -2.4549390E-05 5.8488389E-06 3 4.3946436E+03 3.8432501E-04 -1.9199686E-04 4.5752129E-05 4 1.7627043E+03 2.1840068E-03 -1.0920965E-03 2.6037424E-04 5 7.9340011E+02 9.6943082E-03 -4.8842032E-03 1.1654916E-03 6 3.8654776E+02 3.4086632E-02 -1.7300824E-02 4.1341533E-03 7 1.9886348E+02 9.4947365E-02 -4.9067575E-02 1.1755555E-02 8 1.0652881E+02 2.0289572E-01 -1.0585580E-01 2.5400201E-02 9 5.8479281E+01 3.1560681E-01 -1.6127057E-01 3.8579588E-02 10 3.2717024E+01 3.2280800E-01 -1.3338715E-01 3.0358226E-02 11 1.8383016E+01 1.8120024E-01 7.7446940E-02 -2.7497068E-02 12 1.0199655E+01 4.5923116E-02 3.4454111E-01 -9.9296420E-02 13 5.5717106E+00 4.1041036E-03 4.2201843E-01 -1.2015920E-01 14 2.9784222E+00 5.7860142E-04 2.4782435E-01 -3.0467824E-02 15 1.5234874E+00 4.2169826E-05 5.9171137E-02 1.6430713E-01 16 7.4464814E-01 3.0881481E-05 3.7746374E-03 3.3595515E-01 17 3.4869929E-01 -1.1821877E-05 6.2532504E-04 3.7733753E-01 18 1.5511823E-01 2.2633463E-06 -1.3294841E-05 2.7598162E-01 19 6.4363559E-02 -1.8653993E-06 6.7887009E-05 1.0452131E-01 4f- 1 1.1794059E+03 1.3852731E-04 2 4.0180093E+02 1.2644677E-03 3 1.7150947E+02 7.2378377E-03 4 8.2325947E+01 2.8512201E-02 5 4.1919708E+01 8.0401763E-02 6 2.2128322E+01 1.7280032E-01 7 1.1814399E+01 2.6989569E-01 8 6.1885346E+00 3.1926582E-01 9 3.1019283E+00 2.8504246E-01 10 1.4303266E+00 1.7014044E-01 11 5.7199483E-01 4.5694361E-02 12 2.1756792E-01 1.3932210E-03 4f+ 1 1.1794059E+03 1.0080403E-04 2 4.0180093E+02 1.0978467E-03 3 1.7150947E+02 6.6635106E-03 4 8.2325947E+01 2.7062838E-02 5 4.1919708E+01 7.7817121E-02 6 2.2128322E+01 1.6877619E-01 7 1.1814399E+01 2.6604484E-01 8 6.1885346E+00 3.1900136E-01 9 3.1019283E+00 2.8876806E-01 10 1.4303266E+00 1.7639562E-01 11 5.7199483E-01 4.9751225E-02 12 2.1756792E-01 1.8694251E-03 Small component functions ------------------------- 1s+ 2s+ 3s+ 4s+ 5s+ 6s+ 1 6.4137274E+07 -1.6944717E-04 6.4153359E-05 -3.0443658E-05 1.4958384E-05 -6.0855569E-06 1.7225873E-06 2 1.7067624E+07 -5.7726274E-04 2.1856938E-04 -1.0372502E-04 5.0965402E-05 -2.0735106E-05 5.8694004E-06 3 5.8454686E+06 -1.1017262E-03 4.1735873E-04 -1.9807239E-04 9.7324145E-05 -3.9594385E-05 1.1207602E-05 4 2.2274049E+06 -2.0062190E-03 7.6041369E-04 -3.6093172E-04 1.7735208E-04 -7.2157117E-05 2.0425408E-05 5 9.2735944E+05 -3.3461485E-03 1.2696464E-03 -6.0270672E-04 2.9616155E-04 -1.2048662E-04 3.4104743E-05 6 4.0726404E+05 -5.5206357E-03 2.0978345E-03 -9.9618562E-04 4.8955105E-04 -1.9918714E-04 5.6384384E-05 7 1.8676732E+05 -8.8040877E-03 3.3549305E-03 -1.5937262E-03 7.8326728E-04 -3.1865972E-04 9.0198882E-05 8 8.8268163E+04 -1.3849543E-02 5.3015172E-03 -2.5207061E-03 1.2391186E-03 -5.0421639E-04 1.4273273E-04 9 4.2812203E+04 -2.1156078E-02 8.1667118E-03 -3.8881044E-03 1.9119010E-03 -7.7790248E-04 2.2019230E-04 10 2.1231782E+04 -3.1335693E-02 1.2273940E-02 -5.8594318E-03 2.8831545E-03 -1.1734964E-03 3.3220664E-04 11 1.0750646E+04 -4.4180923E-02 1.7771859E-02 -8.5222131E-03 4.1979276E-03 -1.7086482E-03 4.8366859E-04 12 5.5500686E+03 -5.7912935E-02 2.4406897E-02 -1.1804728E-02 5.8269293E-03 -2.3735238E-03 6.7201233E-04 13 2.9201293E+03 -6.7294451E-02 3.0767089E-02 -1.5098757E-02 7.4792172E-03 -3.0478643E-03 8.6288986E-04 14 1.5655731E+03 -6.4194901E-02 3.3408846E-02 -1.6816253E-02 8.3817770E-03 -3.4225228E-03 9.6941472E-04 15 8.5493986E+02 -4.4061306E-02 2.6691333E-02 -1.3875470E-02 6.9715910E-03 -2.8488180E-03 8.0672939E-04 16 4.7528922E+02 -1.7726124E-02 6.5150712E-03 -2.9822498E-03 1.4492502E-03 -5.9212874E-04 1.6806955E-04 17 2.6897852E+02 -2.9815090E-03 -2.0211756E-02 1.5148391E-02 -8.3014935E-03 3.4723925E-03 -9.8769035E-04 18 1.5894220E+02 -1.7991085E-04 -3.1121068E-02 2.8058633E-02 -1.6208596E-02 6.8257224E-03 -1.9400756E-03 19 1.0297127E+02 3.3135908E-05 -1.8202793E-02 2.0301656E-02 -1.2278564E-02 5.2836987E-03 -1.5118832E-03 20 7.2276650E+01 -3.4989371E-05 -1.1215535E-02 1.2294461E-02 -7.8987186E-03 3.3940667E-03 -9.6366991E-04 21 4.4994511E+01 2.1081652E-05 -3.2338891E-03 -7.3466870E-03 6.3203282E-03 -2.8512294E-03 8.1484305E-04 22 2.8432570E+01 -1.0092457E-05 -1.0752222E-04 -2.1160298E-02 2.3383165E-02 -1.1707918E-02 3.4224674E-03 23 1.7374987E+01 5.6008040E-06 -5.5548280E-05 -1.2384762E-02 1.6607636E-02 -8.2907183E-03 2.4092968E-03 24 1.0330107E+01 -2.8846285E-06 2.0115961E-05 -2.3944303E-03 -3.6477327E-03 2.5228927E-03 -7.4495252E-04 25 6.0943725E+00 1.4417075E-06 -5.8750665E-06 -1.1995429E-04 -1.2178595E-02 9.4648819E-03 -2.9830257E-03 26 3.5592554E+00 -7.8652548E-07 3.4971014E-06 -2.2205183E-05 -5.8522939E-03 7.0392580E-03 -2.3889745E-03 27 1.9991832E+00 4.1586071E-07 -1.4442955E-06 3.3803577E-06 -7.3628082E-04 -8.6482838E-04 3.8798407E-04 28 1.1333452E+00 -2.3448932E-07 6.2467182E-07 -1.1362419E-06 -1.0480328E-05 -4.4967750E-03 1.9594414E-03 29 6.3294538E-01 1.3009906E-07 -2.9796332E-07 8.3839038E-07 -7.3550135E-06 -2.6280122E-03 1.6611303E-03 30 3.4800010E-01 -6.8637545E-08 1.1748532E-07 -2.6352540E-07 8.2943721E-07 -4.8771140E-04 5.4500681E-04 31 1.8739735E-01 3.3617144E-08 -4.3639733E-08 1.0997600E-07 -4.3993978E-07 -2.3584586E-05 -5.1700185E-04 32 9.5457425E-02 -1.5067725E-08 1.3833942E-08 -3.8007401E-08 1.4540792E-07 -4.3837051E-06 -9.9026913E-04 33 4.8435729E-02 6.0871325E-09 -3.5942221E-09 9.7991662E-09 -1.8477142E-08 -1.3532654E-06 -6.3762774E-04 34 2.4280403E-02 -1.5376215E-09 5.6979583E-10 -2.1385261E-09 8.0846734E-09 -2.6706952E-07 -1.0381408E-04 2p- 3p- 4p- 5p- 6p- 1 5.3609439E+07 -6.1538787E-06 3.0887999E-06 -1.5017097E-06 5.6460247E-07 -1.3583498E-07 2 1.4855009E+07 -2.1058335E-05 1.0574253E-05 -5.1408938E-06 1.9322052E-06 -4.6492598E-07 3 4.5358814E+06 -5.0058224E-05 2.5149733E-05 -1.2230042E-05 4.5984632E-06 -1.1063201E-06 4 1.5033066E+06 -1.0672852E-04 5.3673669E-05 -2.6103175E-05 9.8110996E-06 -2.3608086E-06 5 5.3180668E+05 -2.1851304E-04 1.1002943E-04 -5.3534635E-05 2.0132218E-05 -4.8434538E-06 6 1.9879132E+05 -4.4090168E-04 2.2244435E-04 -1.0825963E-04 4.0694538E-05 -9.7925552E-06 7 7.8022969E+04 -8.8691519E-04 4.4855887E-04 -2.1846800E-04 8.2177931E-05 -1.9770695E-05 8 3.2080496E+04 -1.7782494E-03 9.0246793E-04 -4.3980333E-04 1.6536281E-04 -3.9794009E-05 9 1.3819183E+04 -3.5262915E-03 1.7978944E-03 -8.7728830E-04 3.3013617E-04 -7.9428105E-05 10 6.2371520E+03 -6.8110233E-03 3.4983212E-03 -1.7095578E-03 6.4313698E-04 -1.5478128E-04 11 2.9445083E+03 -1.2555123E-02 6.5272565E-03 -3.1994938E-03 1.2052297E-03 -2.8999499E-04 12 1.4486417E+03 -2.1426239E-02 1.1379753E-02 -5.6047399E-03 2.1118769E-03 -5.0836929E-04 13 7.3915063E+02 -3.2249550E-02 1.7704534E-02 -8.7913721E-03 3.3212210E-03 -7.9933871E-04 14 3.8872466E+02 -3.9776935E-02 2.2795330E-02 -1.1439622E-02 4.3267439E-03 -1.0421348E-03 15 2.0966698E+02 -3.5845573E-02 2.0773343E-02 -1.0462103E-02 3.9672976E-03 -9.5480926E-04 16 1.1518899E+02 -1.9403168E-02 5.6568591E-03 -1.7858406E-03 5.7326841E-04 -1.3622633E-04 17 6.4054716E+01 -4.6562756E-03 -1.5366027E-02 1.1535718E-02 -4.7111764E-03 1.1460918E-03 18 3.6303223E+01 -8.7168021E-05 -2.3230693E-02 1.8569078E-02 -7.8161961E-03 1.9020228E-03 19 2.0885271E+01 1.9337153E-04 -1.2336842E-02 7.8252761E-03 -2.8754093E-03 6.9155107E-04 20 1.1965242E+01 1.5284723E-04 -2.4831735E-03 -8.4876666E-03 4.9094779E-03 -1.2407683E-03 21 6.7137508E+00 9.6273307E-05 -1.5561287E-04 -1.1935874E-02 7.1925015E-03 -1.8257102E-03 22 3.7556932E+00 6.5274199E-05 -1.4564959E-05 -5.0558427E-03 2.9664094E-03 -7.6006790E-04 23 2.0459508E+00 4.1492001E-05 -4.6032002E-07 -6.7258894E-04 -2.8552962E-03 9.0547632E-04 24 1.1024597E+00 2.7794040E-05 -1.0384092E-06 -1.5328876E-05 -4.3838149E-03 1.3892079E-03 25 5.8644331E-01 1.5989141E-05 -1.5071743E-07 -1.5975923E-06 -2.2732417E-03 9.1547467E-04 26 3.0657991E-01 1.2536497E-05 -3.6311274E-07 2.7051831E-06 -4.6701650E-04 -8.6259657E-05 27 1.4414257E-01 6.0584001E-06 -1.2406222E-07 7.8325455E-07 -3.3444123E-05 -9.2034176E-04 28 6.9532302E-02 5.4247630E-06 -1.3759048E-07 9.6134484E-07 -1.9247300E-06 -9.9689584E-04 29 3.3533384E-02 3.4479932E-07 -6.8816849E-09 3.2736120E-08 -5.2655515E-07 -4.7480566E-04 30 1.6049279E-02 3.2395653E-06 -7.8188993E-08 5.2590949E-07 -5.9241578E-08 -5.2479110E-05 2p+ 3p+ 4p+ 5p+ 6p+ 1 5.3609439E+07 -1.0322977E-07 5.3231576E-08 -2.6113439E-08 9.6373421E-09 -2.2767246E-09 2 1.4855009E+07 -5.2752929E-07 2.7138573E-07 -1.3128749E-07 4.7681791E-08 -1.1294818E-08 3 4.5358814E+06 -2.0772876E-06 1.0703927E-06 -5.2267037E-07 1.9187942E-07 -4.5369764E-08 4 1.5033066E+06 -7.4234554E-06 3.8213761E-06 -1.8541914E-06 6.7574238E-07 -1.5997605E-07 5 5.3180668E+05 -2.4696995E-05 1.2724796E-05 -6.2016350E-06 2.2716071E-06 -5.3732439E-07 6 1.9879132E+05 -7.7053221E-05 3.9692735E-05 -1.9287073E-05 7.0398674E-06 -1.6662018E-06 7 7.8022969E+04 -2.2652514E-04 1.1681117E-04 -5.6893806E-05 2.0820074E-05 -4.9256140E-06 8 3.2080496E+04 -6.2443753E-04 3.2234765E-04 -1.5679377E-04 5.7273126E-05 -1.3554114E-05 9 1.3819183E+04 -1.6042276E-03 8.3060831E-04 -4.0480376E-04 1.4810601E-04 -3.5042092E-05 10 6.2371520E+03 -3.8032510E-03 1.9797188E-03 -9.6504731E-04 3.5273906E-04 -8.3478546E-05 11 2.9445083E+03 -8.2367989E-03 4.3342747E-03 -2.1202010E-03 7.7623190E-04 -1.8367760E-04 12 1.4486417E+03 -1.6013143E-02 8.5940851E-03 -4.2200338E-03 1.5448867E-03 -3.6566629E-04 13 7.3915063E+02 -2.7000122E-02 1.4973392E-02 -7.4174991E-03 2.7228498E-03 -6.4447758E-04 14 3.8872466E+02 -3.7169375E-02 2.1579531E-02 -1.0803258E-02 3.9703076E-03 -9.4019279E-04 15 2.0966698E+02 -3.7907094E-02 2.2994845E-02 -1.1672539E-02 4.3089779E-03 -1.0203455E-03 16 1.1518899E+02 -2.4168305E-02 1.1487837E-02 -5.2269749E-03 1.8704217E-03 -4.4202214E-04 17 6.4054716E+01 -7.6476990E-03 -9.7337404E-03 7.6745907E-03 -3.0532917E-03 7.2997414E-04 18 3.6303223E+01 -8.2992257E-04 -2.2444016E-02 1.7807813E-02 -7.2379276E-03 1.7307993E-03 19 2.0885271E+01 -4.3354956E-05 -1.4707210E-02 1.1074849E-02 -4.2936798E-03 1.0231728E-03 20 1.1965242E+01 9.5319194E-06 -3.7169186E-03 -5.3052495E-03 3.0838570E-03 -7.6547279E-04 21 6.7137508E+00 -1.9457992E-06 -3.0545789E-04 -1.1747253E-02 6.6676765E-03 -1.6532069E-03 22 3.7556932E+00 1.9355613E-06 -1.7053234E-05 -6.3057857E-03 4.0361569E-03 -1.0213013E-03 23 2.0459508E+00 -7.1144300E-07 -5.5762784E-07 -1.1165940E-03 -1.6009355E-03 5.0159099E-04 24 1.1024597E+00 2.9656018E-07 -1.7152348E-08 -4.6822042E-05 -4.0882499E-03 1.2287461E-03 25 5.8644331E-01 -1.2678237E-07 1.2768704E-07 -6.7961894E-06 -2.6525697E-03 9.9483880E-04 26 3.0657991E-01 4.2254485E-08 -9.9462458E-09 9.9648179E-07 -7.3320028E-04 1.8279801E-04 27 1.4414257E-01 -1.2934611E-08 4.8277332E-09 -3.1936849E-07 -6.8665700E-05 -6.8509216E-04 28 6.9532302E-02 3.8810803E-09 8.5272016E-10 1.3775649E-07 -2.1430717E-06 -9.6620369E-04 29 3.3533384E-02 -7.5759328E-10 -1.5372804E-09 -3.6082030E-08 -1.1210521E-06 -5.8188235E-04 30 1.6049279E-02 -9.6405262E-12 6.4736402E-10 7.5665884E-09 6.7796843E-08 -9.6863677E-05 3d- 4d- 5d- 1 5.3980043E+04 -1.1753731E-05 5.8743061E-06 -1.4383651E-06 2 1.3082378E+04 -6.8602531E-05 3.4212894E-05 -8.3801325E-06 3 4.3946436E+03 -2.9147411E-04 1.4598673E-04 -3.5762917E-05 4 1.7627043E+03 -1.0071389E-03 5.0500647E-04 -1.2378894E-04 5 7.9340011E+02 -2.9046905E-03 1.4676706E-03 -3.6006020E-04 6 3.8654776E+02 -6.9361193E-03 3.5309051E-03 -8.6753072E-04 7 1.9886348E+02 -1.3554001E-02 7.0247104E-03 -1.7303468E-03 8 1.0652881E+02 -2.0772434E-02 1.0847297E-02 -2.6755379E-03 9 5.8479281E+01 -2.3366743E-02 1.1891646E-02 -2.9211275E-03 10 3.2717024E+01 -1.7319632E-02 6.8516818E-03 -1.5815742E-03 11 1.8383016E+01 -6.9908276E-03 -3.9786192E-03 1.3953415E-03 12 1.0199655E+01 -1.2384707E-03 -1.1038942E-02 3.2722137E-03 13 5.5717106E+00 -6.8016952E-05 -9.4748081E-03 2.7614523E-03 14 2.9784222E+00 -2.6802489E-06 -3.8545205E-03 3.2303627E-04 15 1.5234874E+00 2.2618526E-06 -6.1558732E-04 -2.1972154E-03 16 7.4464814E-01 9.3456094E-07 -2.5338346E-05 -2.9152784E-03 17 3.4869929E-01 5.4926705E-07 -2.7004672E-06 -2.1267701E-03 18 1.5511823E-01 1.5996410E-07 1.1531581E-07 -9.7934758E-04 19 6.4363559E-02 9.5869765E-08 -8.3027831E-08 -2.0910682E-04 3d+ 4d+ 5d+ 1 5.3980043E+04 -5.0428353E-06 2.5153642E-06 -5.9901073E-07 2 1.3082378E+04 -4.1019618E-05 2.0356872E-05 -4.8487177E-06 3 4.3946436E+03 -2.1035137E-04 1.0490324E-04 -2.4990701E-05 4 1.7627043E+03 -8.1086261E-04 4.0467755E-04 -9.6454512E-05 5 7.9340011E+02 -2.5105340E-03 1.2626588E-03 -3.0121973E-04 6 3.8654776E+02 -6.2988167E-03 3.1918019E-03 -7.6251834E-04 7 1.9886348E+02 -1.2749848E-02 6.5794504E-03 -1.5759537E-03 8 1.0652881E+02 -2.0091043E-02 1.0469286E-02 -2.5116821E-03 9 5.8479281E+01 -2.3244400E-02 1.1866936E-02 -2.8385076E-03 10 3.2717024E+01 -1.7824890E-02 7.3653454E-03 -1.6766269E-03 11 1.8383016E+01 -7.5080821E-03 -3.1941032E-03 1.1345194E-03 12 1.0199655E+01 -1.4179064E-03 -1.0616724E-02 3.0592661E-03 13 5.5717106E+00 -9.3615586E-05 -9.6161573E-03 2.7375719E-03 14 2.9784222E+00 -9.6596714E-06 -4.1294746E-03 5.0783130E-04 15 1.5234874E+00 -4.9488021E-07 -7.0517730E-04 -1.9575536E-03 16 7.4464814E-01 -2.6097765E-07 -3.1453172E-05 -2.7985285E-03 17 3.4869929E-01 6.9069750E-08 -3.5631847E-06 -2.1509882E-03 18 1.5511823E-01 -9.2890895E-09 4.9843115E-08 -1.0492924E-03 19 6.4363559E-02 4.7747767E-09 -1.6603495E-07 -2.5598314E-04 4f- 1 1.1794059E+03 -4.0992281E-05 2 4.0180093E+02 -2.5473674E-04 3 1.7150947E+02 -9.9912808E-04 4 8.2325947E+01 -2.7832073E-03 5 4.1919708E+01 -5.6512499E-03 6 2.2128322E+01 -8.8608496E-03 7 1.1814399E+01 -1.0133487E-02 8 6.1885346E+00 -8.6843686E-03 9 3.1019283E+00 -5.4918374E-03 10 1.4303266E+00 -2.2263446E-03 11 5.7199483E-01 -3.7805732E-04 12 2.1756792E-01 -7.0659074E-06 4f+ 1 1.1794059E+03 -3.5202491E-05 2 4.0180093E+02 -2.3295583E-04 3 1.7150947E+02 -9.3994422E-04 4 8.2325947E+01 -2.6669513E-03 5 4.1919708E+01 -5.4937183E-03 6 2.2128322E+01 -8.6762130E-03 7 1.1814399E+01 -1.0002714E-02 8 6.1885346E+00 -8.6841538E-03 9 3.1019283E+00 -5.5666380E-03 10 1.4303266E+00 -2.3092165E-03 11 5.7199483E-01 -4.1188077E-04 12 2.1756792E-01 -9.5446596E-06 ** Re 187 ** Large component functions ------------------------- 1s+ 2s+ 3s+ 4s+ 5s+ 6s+ 1 6.3602863E+07 1.4299861E-04 -5.4516865E-05 2.5929203E-05 -1.2783870E-05 5.2741787E-06 -1.5087956E-06 2 1.6921117E+07 3.3999597E-04 -1.3006139E-04 6.1893416E-05 -3.0519231E-05 1.2591621E-05 -3.6021442E-06 3 5.7932776E+06 6.8185082E-04 -2.6180849E-04 1.2466262E-04 -6.1479142E-05 2.5365651E-05 -7.2564537E-06 4 2.2073748E+06 1.2516482E-03 -4.8335968E-04 2.3036853E-04 -1.1363392E-04 4.6887257E-05 -1.3413487E-05 5 9.2043510E+05 2.2671481E-03 -8.8135333E-04 4.2048763E-04 -2.0746674E-04 8.5607157E-05 -2.4490225E-05 6 4.0582412E+05 4.0497650E-03 -1.5880793E-03 7.5871464E-04 -3.7446600E-04 1.5453345E-04 -4.4210169E-05 7 1.8735143E+05 7.2894754E-03 -2.8870543E-03 1.3814280E-03 -6.8206810E-04 2.8148334E-04 -8.0526854E-05 8 8.9310692E+04 1.3196536E-02 -5.2902560E-03 2.5362919E-03 -1.2528278E-03 5.1712268E-04 -1.4794917E-04 9 4.3735454E+04 2.4016142E-02 -9.7708273E-03 4.6952700E-03 -2.3206291E-03 9.5790703E-04 -2.7404323E-04 10 2.1880960E+04 4.3554056E-02 -1.8074304E-02 8.7144004E-03 -4.3103545E-03 1.7797684E-03 -5.0922822E-04 11 1.1150683E+04 7.7405171E-02 -3.3080905E-02 1.6027876E-02 -7.9375005E-03 3.2778295E-03 -9.3777984E-04 12 5.7779379E+03 1.3057739E-01 -5.8508271E-02 2.8585299E-02 -1.4184051E-02 5.8612990E-03 -1.6772876E-03 13 3.0461933E+03 1.9821796E-01 -9.6115369E-02 4.7621019E-02 -2.3712230E-02 9.8037343E-03 -2.8052003E-03 14 1.6371339E+03 2.4889670E-01 -1.3659809E-01 6.9293578E-02 -3.4698816E-02 1.4371551E-02 -4.1144332E-03 15 8.9861614E+02 2.2718195E-01 -1.4335154E-01 7.4845872E-02 -3.7760295E-02 1.5652376E-02 -4.4792101E-03 16 5.0453219E+02 1.2428602E-01 -5.0166946E-02 2.3012293E-02 -1.1186732E-02 4.6244460E-03 -1.3276947E-03 17 2.9161892E+02 3.0552436E-02 1.6661345E-01 -1.2566837E-01 6.9050896E-02 -2.9284080E-02 8.4242970E-03 18 1.7695324E+02 3.0807027E-03 3.5178572E-01 -3.1112156E-01 1.7949220E-01 -7.6661464E-02 2.2016129E-02 19 1.1350002E+02 -1.7583214E-04 3.4274437E-01 -3.7251172E-01 2.2470935E-01 -9.7504175E-02 2.8169884E-02 20 7.3662056E+01 3.1309354E-04 2.2699700E-01 -2.5254086E-01 1.6348884E-01 -7.1987120E-02 2.0701429E-02 21 4.5394705E+01 -2.8024583E-04 6.6594563E-02 2.2009820E-01 -1.9249304E-01 8.9761127E-02 -2.6020259E-02 22 2.8576605E+01 1.5422701E-04 3.3060884E-03 6.2885829E-01 -7.1407725E-01 3.6437921E-01 -1.0789334E-01 23 1.7570727E+01 -1.1746663E-04 1.5493434E-03 4.4300879E-01 -5.9110141E-01 2.9870657E-01 -8.7668204E-02 24 1.0510149E+01 7.7264111E-05 -7.8651997E-04 1.0821142E-01 2.0506915E-01 -1.4069302E-01 4.1843376E-02 25 6.2968071E+00 -4.4906229E-05 2.8763600E-04 6.7223858E-03 7.6987889E-01 -6.1717009E-01 1.9834040E-01 26 3.7233958E+00 2.9961264E-05 -2.4649096E-04 2.0291128E-03 4.8455747E-01 -5.9604481E-01 2.0549187E-01 27 2.1230480E+00 -1.8367111E-05 1.3954537E-04 -4.9521785E-04 8.4626441E-02 9.3266382E-02 -4.3650676E-02 28 1.2298564E+00 1.1529564E-05 -8.1543076E-05 2.3886325E-04 2.0702571E-03 6.5025590E-01 -2.9069789E-01 29 7.0283439E-01 -7.0321608E-06 5.3051057E-05 -2.1018739E-04 1.4733094E-03 5.3098977E-01 -3.2507616E-01 30 3.9525820E-01 3.7693340E-06 -2.7279219E-05 8.7394753E-05 -1.4961298E-04 1.5307379E-01 -1.6190374E-01 31 2.1736198E-01 -1.7767373E-06 1.3028622E-05 -4.5082014E-05 1.3388575E-04 1.2786759E-02 1.5600749E-01 32 1.0873344E-01 7.1846093E-07 -5.3146354E-06 1.8676319E-05 -5.3438206E-05 2.4913126E-03 4.9423822E-01 33 5.4219252E-02 -2.6949119E-07 1.9198352E-06 -5.8752986E-06 2.7785745E-06 1.0291361E-03 4.8450676E-01 34 2.6753492E-02 6.2766058E-08 -4.7391151E-07 1.7831774E-06 -6.7429541E-06 3.2625046E-04 1.2496291E-01 2p- 3p- 4p- 5p- 6p- 1 5.4160834E+07 2.0384034E-05 -1.0250799E-05 5.0035077E-06 -1.9150309E-06 4.6251043E-07 2 1.5165049E+07 6.6323761E-05 -3.3354125E-05 1.6280486E-05 -6.2310664E-06 1.5049086E-06 3 4.6670369E+06 1.5005493E-04 -7.5469826E-05 3.6838630E-05 -1.4099673E-05 3.4052940E-06 4 1.5567308E+06 3.0760153E-04 -1.5473519E-04 7.5532468E-05 -2.8908853E-05 6.9820096E-06 5 5.5339332E+05 6.0240546E-04 -3.0313748E-04 1.4798730E-04 -5.6643245E-05 1.3680220E-05 6 2.0765636E+05 1.1550193E-03 -5.8163930E-04 2.8398987E-04 -1.0869551E-04 2.6252298E-05 7 8.1779948E+04 2.2065434E-03 -1.1127443E-03 5.4350300E-04 -2.0806125E-04 5.0250017E-05 8 3.3712742E+04 4.2786255E-03 -2.1637074E-03 1.0574614E-03 -4.0479464E-04 9.7771024E-05 9 1.4542625E+04 8.5718939E-03 -4.3560755E-03 2.1315179E-03 -8.1637165E-04 1.9716979E-04 10 6.5663390E+03 1.7889828E-02 -9.1666956E-03 4.4935881E-03 -1.7210499E-03 4.1573785E-04 11 3.0993698E+03 3.8386152E-02 -1.9930697E-02 9.8019844E-03 -3.7587821E-03 9.0789789E-04 12 1.5241592E+03 8.1196098E-02 -4.3087071E-02 2.1295672E-02 -8.1694159E-03 1.9739271E-03 13 7.7730718E+02 1.5798908E-01 -8.6606220E-02 4.3150592E-02 -1.6596924E-02 4.0099189E-03 14 4.0861284E+02 2.5829897E-01 -1.4754472E-01 7.4268141E-02 -2.8594481E-02 6.9131812E-03 15 2.2029035E+02 3.1336158E-01 -1.8065506E-01 9.1212435E-02 -3.5214981E-02 8.5084341E-03 16 1.2100149E+02 2.3270805E-01 -7.0664125E-02 2.3497971E-02 -7.8234829E-03 1.8659284E-03 17 6.7294151E+01 8.1658952E-02 2.2794693E-01 -1.7328087E-01 7.2171593E-02 -1.7633906E-02 18 3.8146585E+01 9.0482174E-03 4.7005749E-01 -3.7755255E-01 1.6211589E-01 -3.9639561E-02 19 2.1973906E+01 6.4279489E-04 3.3580740E-01 -2.1859917E-01 8.2564354E-02 -1.9937913E-02 20 1.2614658E+01 -2.2186264E-04 9.2011106E-02 2.9089075E-01 -1.7257923E-01 4.3896138E-02 21 7.0848573E+00 3.1186948E-05 7.8100978E-03 5.6857962E-01 -3.5122524E-01 8.9866848E-02 22 3.9633385E+00 -6.7000726E-05 8.4468534E-04 3.2834968E-01 -1.9662063E-01 5.0558313E-02 23 2.1436701E+00 2.9960823E-05 -6.4039965E-05 5.8942244E-02 2.6155465E-01 -8.4458980E-02 24 1.1527070E+00 -1.6489075E-05 4.7446289E-05 1.7757048E-03 5.2509998E-01 -1.6983424E-01 25 6.0997280E-01 1.0519654E-05 -4.5621104E-05 8.0542234E-04 3.5187336E-01 -1.4043676E-01 26 3.1665140E-01 -4.9377502E-06 1.7332020E-05 -2.2172876E-04 9.1765920E-02 3.8218596E-02 27 1.4838013E-01 2.5567877E-06 -1.0096865E-05 9.6951788E-05 9.0937046E-03 3.1239377E-01 28 7.1046076E-02 -1.3669654E-06 5.3716984E-06 -5.9748382E-05 7.2558228E-04 4.5985481E-01 29 3.4179114E-02 6.2981757E-07 -2.4171635E-06 2.4517246E-05 2.8073206E-04 3.0141881E-01 30 1.6355002E-02 -1.7939612E-07 7.0469042E-07 -7.3959893E-06 -1.8396796E-05 4.5775015E-02 2p+ 3p+ 4p+ 5p+ 6p+ 1 5.4160834E+07 5.4567548E-08 -2.8206316E-08 1.3808295E-08 -5.1554050E-09 1.2105940E-09 2 1.5165049E+07 2.3686825E-07 -1.2242110E-07 5.9744818E-08 -2.2220825E-08 5.2203938E-09 3 4.6670369E+06 9.8548558E-07 -5.0992867E-07 2.4955043E-07 -9.3109610E-08 2.1865838E-08 4 1.5567308E+06 3.7612723E-06 -1.9474275E-06 9.5129190E-07 -3.5407366E-07 8.3177331E-08 5 5.5339332E+05 1.3953096E-05 -7.2363811E-06 3.5420650E-06 -1.3211820E-06 3.1028645E-07 6 2.0765636E+05 5.0621624E-05 -2.6291266E-05 1.2855323E-05 -4.7869518E-06 1.1245045E-06 7 8.1779948E+04 1.8098910E-04 -9.4215199E-05 4.6147828E-05 -1.7212175E-05 4.0425719E-06 8 3.3712742E+04 6.3326600E-04 -3.3043251E-04 1.6176701E-04 -6.0262290E-05 1.4156260E-05 9 1.4542625E+04 2.1363802E-03 -1.1189574E-03 5.4880362E-04 -2.0472439E-04 4.8085546E-05 10 6.5663390E+03 6.8030454E-03 -3.5835859E-03 1.7584369E-03 -6.5543295E-04 1.5397449E-04 11 3.0993698E+03 2.0027509E-02 -1.0662960E-02 5.2498175E-03 -1.9598689E-03 4.6037865E-04 12 1.5241592E+03 5.3161453E-02 -2.8847843E-02 1.4255757E-02 -5.3215365E-03 1.2503467E-03 13 7.7730718E+02 1.2242720E-01 -6.8565177E-02 3.4171771E-02 -1.2790576E-02 3.0053843E-03 14 4.0861284E+02 2.3004737E-01 -1.3466601E-01 6.7800019E-02 -2.5404749E-02 5.9719412E-03 15 2.2029035E+02 3.1986813E-01 -1.9554823E-01 9.9807230E-02 -3.7567719E-02 8.8314525E-03 16 1.2100149E+02 2.7862885E-01 -1.3612644E-01 6.2822962E-02 -2.2962964E-02 5.3864562E-03 17 6.7294151E+01 1.2125792E-01 1.3962264E-01 -1.1226418E-01 4.5649477E-02 -1.0840935E-02 18 3.8146585E+01 1.8206877E-02 4.5153100E-01 -3.5987643E-01 1.4929902E-01 -3.5467085E-02 19 2.1973906E+01 1.2668959E-03 4.0055039E-01 -3.0704862E-01 1.2202629E-01 -2.8884350E-02 20 1.2614658E+01 -3.5097443E-04 1.3857300E-01 1.7235188E-01 -1.0423917E-01 2.5778417E-02 21 7.0848573E+00 1.0296291E-04 1.5844667E-02 5.5548951E-01 -3.2310353E-01 7.9783650E-02 22 3.9633385E+00 -1.3152516E-04 1.0989940E-03 4.1027398E-01 -2.6951853E-01 6.7863694E-02 23 2.1436701E+00 6.7172016E-05 4.6251029E-05 9.8269491E-02 1.4755039E-01 -4.6538088E-02 24 1.1527070E+00 -3.8926732E-05 -3.7943202E-06 4.6233479E-03 4.9537251E-01 -1.5010228E-01 25 6.0997280E-01 2.3809581E-05 -2.5813071E-05 1.3847157E-03 4.1841767E-01 -1.5592488E-01 26 3.1665140E-01 -1.1710071E-05 4.7928185E-06 -3.6270458E-04 1.4875749E-01 -2.5559856E-02 27 1.4838013E-01 5.9361147E-06 -4.7113926E-06 1.7827790E-04 1.8710272E-02 2.3424168E-01 28 7.1046076E-02 -3.1982437E-06 2.3292946E-06 -1.0421629E-04 1.0474088E-03 4.4851844E-01 29 3.4179114E-02 1.4771220E-06 -9.8832059E-07 4.3948053E-05 5.4495873E-04 3.7785133E-01 30 1.6355002E-02 -4.2031265E-07 3.1613997E-07 -1.3322189E-05 -2.7717763E-05 8.9018827E-02 3d- 4d- 5d- 1 5.6798749E+04 3.3115960E-05 -1.6630124E-05 4.3235089E-06 2 1.3709774E+04 1.7014526E-04 -8.5461805E-05 2.2226434E-05 3 4.5917735E+03 7.6692011E-04 -3.8653767E-04 1.0053799E-04 4 1.8382681E+03 3.2087152E-03 -1.6206369E-03 4.2188943E-04 5 8.2623507E+02 1.2078486E-02 -6.1472775E-03 1.6013902E-03 6 4.0204410E+02 3.8744168E-02 -1.9869231E-02 5.1851603E-03 7 2.0660807E+02 1.0244317E-01 -5.3485489E-02 1.3991261E-02 8 1.1058796E+02 2.1162254E-01 -1.1129446E-01 2.9160460E-02 9 6.0695894E+01 3.1914585E-01 -1.6356444E-01 4.2657799E-02 10 3.3977162E+01 3.1532300E-01 -1.2538493E-01 3.0679287E-02 11 1.9115601E+01 1.7043431E-01 9.6191815E-02 -3.6264952E-02 12 1.0628427E+01 4.1375874E-02 3.5874597E-01 -1.1350120E-01 13 5.8247645E+00 3.5681473E-03 4.1661862E-01 -1.2999032E-01 14 3.1281558E+00 4.9851463E-04 2.3026942E-01 -1.7785691E-02 15 1.6095628E+00 2.6074984E-05 5.0681436E-02 2.0031107E-01 16 7.9562027E-01 2.2725277E-05 3.0040205E-03 3.6256586E-01 17 3.7717488E-01 -1.1687436E-05 5.5962196E-04 3.6722210E-01 18 1.6992564E-01 1.2830387E-06 1.3525075E-05 2.3848352E-01 19 7.1382388E-02 -1.6648136E-06 5.7419585E-05 7.2532642E-02 3d+ 4d+ 5d+ 1 5.6798749E+04 3.7767284E-06 -1.8989544E-06 4.8003954E-07 2 1.3709774E+04 4.8338224E-05 -2.4225485E-05 6.1295139E-06 3 4.5917735E+03 3.7701568E-04 -1.8981348E-04 4.8013300E-05 4 1.8382681E+03 2.1460219E-03 -1.0813601E-03 2.7377191E-04 5 8.2623507E+02 9.5495864E-03 -4.8486263E-03 1.2282815E-03 6 4.0204410E+02 3.3704376E-02 -1.7238523E-02 4.3743560E-03 7 2.0660807E+02 9.4265236E-02 -4.9092605E-02 1.2487713E-02 8 1.1058796E+02 2.0218669E-01 -1.0631759E-01 2.7095749E-02 9 6.0695894E+01 3.1527560E-01 -1.6244911E-01 4.1258504E-02 10 3.3977162E+01 3.2299708E-01 -1.3464095E-01 3.2517264E-02 11 1.9115601E+01 1.8205658E-01 7.6581548E-02 -2.9322574E-02 12 1.0628427E+01 4.6584819E-02 3.4447171E-01 -1.0594526E-01 13 5.8247645E+00 4.2025510E-03 4.2290166E-01 -1.2892582E-01 14 3.1281558E+00 5.7646544E-04 2.4702953E-01 -3.0214368E-02 15 1.6095628E+00 3.1520477E-05 5.8122428E-02 1.7866492E-01 16 7.9562027E-01 2.8670914E-05 3.6538786E-03 3.4866634E-01 17 3.7717488E-01 -1.3959188E-05 6.7166853E-04 3.7309876E-01 18 1.6992564E-01 1.9033872E-06 1.2623558E-05 2.5864293E-01 19 7.1382388E-02 -2.1098065E-06 7.4627854E-05 9.1349201E-02 4f- 1 1.2664595E+03 1.3161294E-04 2 4.3075057E+02 1.2005149E-03 3 1.8381750E+02 6.8986165E-03 4 8.8247740E+01 2.7479582E-02 5 4.5004851E+01 7.8259979E-02 6 2.3800741E+01 1.7016568E-01 7 1.2752196E+01 2.6904493E-01 8 6.7179368E+00 3.2069587E-01 9 3.3992518E+00 2.8575548E-01 10 1.5912492E+00 1.6697251E-01 11 6.5110611E-01 4.3309368E-02 12 2.5079181E-01 1.4626497E-03 4f+ 1 1.2664595E+03 9.4206877E-05 2 4.3075057E+02 1.0347298E-03 3 1.8381750E+02 6.3293893E-03 4 8.8247740E+01 2.6029212E-02 5 4.5004851E+01 7.5678304E-02 6 2.3800741E+01 1.6616890E-01 7 1.2752196E+01 2.6518296E-01 8 6.7179368E+00 3.2046928E-01 9 3.3992518E+00 2.8960710E-01 10 1.5912492E+00 1.7301407E-01 11 6.5110611E-01 4.6982453E-02 12 2.5079181E-01 1.8917123E-03 Small component functions ------------------------- 1s+ 2s+ 3s+ 4s+ 5s+ 6s+ 1 6.3602863E+07 -1.8010891E-04 6.8496986E-05 -3.2565431E-05 1.6054249E-05 -6.6232169E-06 1.8946980E-06 2 1.6921117E+07 -6.1287061E-04 2.3310036E-04 -1.1082564E-04 5.4635259E-05 -2.2540469E-05 6.4482539E-06 3 5.7932776E+06 -1.1679484E-03 4.4444580E-04 -2.1132196E-04 1.0418101E-04 -4.2979997E-05 1.2295185E-05 4 2.2073748E+06 -2.1211768E-03 8.0765770E-04 -3.8406621E-04 1.8934619E-04 -7.8119001E-05 2.2348119E-05 5 9.2043510E+05 -3.5173428E-03 1.3407018E-03 -6.3763822E-04 3.1437525E-04 -1.2969580E-04 3.7101397E-05 6 4.0582412E+05 -5.7567472E-03 2.1977216E-03 -1.0455585E-03 5.1551785E-04 -2.1269759E-04 6.0849164E-05 7 1.8735143E+05 -9.0869753E-03 3.4788102E-03 -1.6557344E-03 8.1647687E-04 -3.3684573E-04 9.6358861E-05 8 8.9310692E+04 -1.4151345E-02 5.4426057E-03 -2.5926290E-03 1.2786969E-03 -5.2762624E-04 1.5094888E-04 9 4.3735454E+04 -2.1422156E-02 8.3074982E-03 -3.9627577E-03 1.9551830E-03 -8.0671494E-04 2.3077140E-04 10 2.1880960E+04 -3.1567942E-02 1.2419947E-02 -5.9400258E-03 2.9324618E-03 -1.2103161E-03 3.4627802E-04 11 1.1150683E+04 -4.4449344E-02 1.7948197E-02 -8.6227243E-03 4.2617575E-03 -1.7590745E-03 5.0322612E-04 12 5.7779379E+03 -5.8331322E-02 2.4654293E-02 -1.1943693E-02 5.9146763E-03 -2.4430392E-03 6.9906587E-04 13 3.0461933E+03 -6.7884755E-02 3.1061739E-02 -1.5266128E-02 7.5873153E-03 -3.1355551E-03 8.9712885E-04 14 1.6371339E+03 -6.4868033E-02 3.3675337E-02 -1.6963014E-02 8.4804778E-03 -3.5111624E-03 1.0051604E-03 15 8.9861614E+02 -4.4904181E-02 2.6995312E-02 -1.4035494E-02 7.0746156E-03 -2.9319640E-03 8.3900896E-04 16 5.0453219E+02 -1.8676626E-02 7.5548591E-03 -3.5724792E-03 1.7535983E-03 -7.2625442E-04 2.0849776E-04 17 2.9161892E+02 -3.5082107E-03 -1.7611450E-02 1.3128827E-02 -7.1955453E-03 3.0500643E-03 -8.7739858E-04 18 1.7695324E+02 -2.8518531E-04 -2.9563121E-02 2.5898402E-02 -1.4912904E-02 6.3664844E-03 -1.8282247E-03 19 1.1350002E+02 2.2398149E-05 -2.3218100E-02 2.5033949E-02 -1.5083176E-02 6.5432351E-03 -1.8903401E-03 20 7.3662056E+01 -2.5705523E-05 -1.2422188E-02 1.3769256E-02 -8.9129500E-03 3.9241165E-03 -1.1284805E-03 21 4.5394705E+01 1.8064794E-05 -2.8672962E-03 -9.2999335E-03 8.1084153E-03 -3.7774287E-03 1.0947881E-03 22 2.8576605E+01 -9.3969848E-06 -1.1185724E-04 -2.1264250E-02 2.4094803E-02 -1.2290633E-02 3.6391053E-03 23 1.7570727E+01 5.7075532E-06 -4.1978962E-05 -1.1759609E-02 1.5670788E-02 -7.9194199E-03 2.3243398E-03 24 1.0510149E+01 -3.1861373E-06 1.6611775E-05 -2.2235355E-03 -4.1910810E-03 2.8737974E-03 -8.5455018E-04 25 6.2968071E+00 1.7186750E-06 -4.8319028E-06 -1.0631854E-04 -1.2211561E-02 9.7843675E-03 -3.1441645E-03 26 3.7233958E+00 -9.7200138E-07 3.1625951E-06 -2.5096124E-05 -5.9118050E-03 7.2692071E-03 -2.5060701E-03 27 2.1230480E+00 5.3908853E-07 -1.3764844E-06 4.7584187E-06 -7.7980061E-04 -8.5807520E-04 4.0156562E-04 28 1.2298564E+00 -3.1605089E-07 6.2726879E-07 -1.7970288E-06 -1.4455807E-05 -4.5574291E-03 2.0372585E-03 29 7.0283439E-01 1.7672516E-07 -3.1336433E-07 1.1863233E-06 -7.8443941E-06 -2.8134238E-03 1.7222904E-03 30 3.9525820E-01 -9.1236218E-08 1.2562677E-07 -3.8661846E-07 6.1430931E-07 -6.0824734E-04 6.4328939E-04 31 2.1736198E-01 4.1627230E-08 -4.6470372E-08 1.5155130E-07 -4.0395610E-07 -3.7671637E-05 -4.5965053E-04 32 1.0873344E-01 -1.6783612E-08 1.4417220E-08 -4.6754755E-08 1.1531650E-07 -5.1940857E-06 -1.0299437E-03 33 5.4219252E-02 6.5808577E-09 -4.1615540E-09 1.1807710E-08 -5.6856960E-09 -1.5134905E-06 -7.1297519E-04 34 2.6753492E-02 -1.6662938E-09 8.3301796E-10 -2.6606183E-09 7.3830225E-09 -3.3748054E-07 -1.2917231E-04 2p- 3p- 4p- 5p- 6p- 1 5.4160834E+07 -6.5317967E-06 3.2857759E-06 -1.6040274E-06 6.1405204E-07 -1.4829524E-07 2 1.5165049E+07 -2.2368066E-05 1.1256832E-05 -5.4951627E-06 2.1028502E-06 -5.0790394E-07 3 4.6670369E+06 -5.2942240E-05 2.6657965E-05 -1.3016674E-05 4.9833611E-06 -1.2034957E-06 4 1.5567308E+06 -1.1224331E-04 5.6572398E-05 -2.7625674E-05 1.0571775E-05 -2.5534790E-06 5 5.5339332E+05 -2.2843127E-04 1.1528085E-04 -5.6320142E-05 2.1565664E-05 -5.2081396E-06 6 2.0765636E+05 -4.5761120E-04 2.3139041E-04 -1.1307565E-04 4.3275979E-05 -1.0453151E-05 7 8.1779948E+04 -9.1324203E-04 4.6291970E-04 -2.2639137E-04 8.6711275E-05 -2.0941141E-05 8 3.3712742E+04 -1.8179490E-03 9.2471233E-04 -4.5249926E-04 1.7322283E-04 -4.1843285E-05 9 1.4542625E+04 -3.5835757E-03 1.8312955E-03 -8.9728271E-04 3.4382285E-04 -8.3037829E-05 10 6.5663390E+03 -6.8893775E-03 3.5464733E-03 -1.7402278E-03 6.6655249E-04 -1.6102420E-04 11 3.0993698E+03 -1.2658861E-02 6.5949080E-03 -3.2459341E-03 1.2450576E-03 -3.0072828E-04 12 1.5241592E+03 -2.1574278E-02 1.1477788E-02 -5.6757696E-03 2.1774145E-03 -5.2613347E-04 13 7.7730718E+02 -3.2508731E-02 1.7868113E-02 -8.9076911E-03 3.4267204E-03 -8.2791730E-04 14 4.0861284E+02 -4.0279132E-02 2.3096226E-02 -1.1634424E-02 4.4799806E-03 -1.0831390E-03 15 2.2029035E+02 -3.6636143E-02 2.1273806E-02 -1.0760130E-02 4.1559876E-03 -1.0041835E-03 16 1.2100149E+02 -2.0142884E-02 6.2014040E-03 -2.0827819E-03 6.9604647E-04 -1.6610283E-04 17 6.7294151E+01 -4.9589769E-03 -1.5244892E-02 1.1537399E-02 -4.8019352E-03 1.1731843E-03 18 3.8146585E+01 -1.0989754E-04 -2.3703826E-02 1.9001458E-02 -8.1566016E-03 1.9943406E-03 19 2.1973906E+01 2.0339650E-04 -1.2872036E-02 8.3894250E-03 -3.1725645E-03 7.6624726E-04 20 1.2614658E+01 1.6237255E-04 -2.6753608E-03 -8.4001067E-03 4.9853180E-03 -1.2680836E-03 21 7.0848573E+00 1.0204098E-04 -1.7257187E-04 -1.2332697E-02 7.6193506E-03 -1.9495633E-03 22 3.9633385E+00 6.9948180E-05 -1.5138221E-05 -5.3243871E-03 3.1912721E-03 -8.2069694E-04 23 2.1436701E+00 4.4420243E-05 -3.3194509E-07 -6.9708018E-04 -3.1253170E-03 1.0090063E-03 24 1.1527070E+00 2.9336375E-05 -1.0208389E-06 -1.0880576E-05 -4.6004356E-03 1.4878136E-03 25 6.0997280E-01 1.7168196E-05 -1.2637323E-07 -2.3169676E-06 -2.2426983E-03 8.9499480E-04 26 3.1665140E-01 1.3122668E-05 -3.5949532E-07 3.1253486E-06 -4.2165711E-04 -1.7533664E-04 27 1.4838013E-01 6.4430469E-06 -1.2087089E-07 7.4623231E-07 -2.8750664E-05 -9.8170543E-04 28 7.1046076E-02 5.6219739E-06 -1.3411683E-07 1.0359174E-06 -1.7222144E-06 -9.9996976E-04 29 3.4179114E-02 3.8431112E-07 -6.9857737E-09 2.7151180E-08 -4.3422393E-07 -4.5464082E-04 30 1.6355002E-02 3.3508436E-06 -7.5563671E-08 5.4959433E-07 -6.7579594E-08 -4.7727431E-05 2p+ 3p+ 4p+ 5p+ 6p+ 1 5.4160834E+07 -1.0661019E-07 5.5161571E-08 -2.7190660E-08 1.0235315E-08 -2.4009415E-09 2 1.5165049E+07 -5.4229206E-07 2.7977307E-07 -1.3592407E-07 5.0292975E-08 -1.1823089E-08 3 4.6670369E+06 -2.1150609E-06 1.0933609E-06 -5.3637034E-07 2.0076829E-07 -4.7128509E-08 4 1.5567308E+06 -7.5003331E-06 3.8723689E-06 -1.8871662E-06 7.0084484E-07 -1.6468077E-07 5 5.5339332E+05 -2.4804862E-05 1.2820470E-05 -6.2768614E-06 2.3438402E-06 -5.5036342E-07 6 2.0765636E+05 -7.6987930E-05 3.9778443E-05 -1.9414482E-05 7.2220403E-06 -1.6966485E-06 7 8.1779948E+04 -2.2525855E-04 1.1651733E-04 -5.7008304E-05 2.1265772E-05 -4.9941729E-06 8 3.3712742E+04 -6.1919858E-04 3.2060285E-04 -1.5664044E-04 5.8315660E-05 -1.3698831E-05 9 1.4542625E+04 -1.5892551E-03 8.2532572E-04 -4.0404201E-04 1.5068310E-04 -3.5390056E-05 10 6.5663390E+03 -3.7693767E-03 1.9676609E-03 -9.6343021E-04 3.5891740E-04 -8.4313678E-05 11 3.0993698E+03 -8.1752884E-03 4.3133135E-03 -2.1193099E-03 7.9088235E-04 -1.8577020E-04 12 1.5241592E+03 -1.5936384E-02 8.5716769E-03 -4.2272503E-03 1.5772817E-03 -3.7058143E-04 13 7.7730718E+02 -2.6994276E-02 1.4995474E-02 -7.4601497E-03 2.7913661E-03 -6.5585453E-04 14 4.0861284E+02 -3.7447376E-02 2.1763276E-02 -1.0939918E-02 4.0978315E-03 -9.6325122E-04 15 2.2029035E+02 -3.8662767E-02 2.3498405E-02 -1.1981020E-02 4.5088077E-03 -1.0599107E-03 16 1.2100149E+02 -2.5120155E-02 1.2255957E-02 -5.6665498E-03 2.0724294E-03 -4.8616410E-04 17 6.7294151E+01 -8.1767627E-03 -9.2568100E-03 7.4371046E-03 -3.0233278E-03 7.1797308E-04 18 3.8146585E+01 -9.2636397E-04 -2.2733975E-02 1.8093050E-02 -7.5042159E-03 1.7826320E-03 19 2.1973906E+01 -4.8358711E-05 -1.5340526E-02 1.1750624E-02 -4.6704117E-03 1.1055361E-03 20 1.2614658E+01 9.9485735E-06 -4.0223450E-03 -4.9847405E-03 3.0143853E-03 -7.4544945E-04 21 7.0848573E+00 -2.0780215E-06 -3.4522700E-04 -1.2062357E-02 7.0139682E-03 -1.7318950E-03 22 3.9633385E+00 2.0384491E-06 -1.7584318E-05 -6.6662116E-03 4.3781140E-03 -1.1023823E-03 23 2.1436701E+00 -7.4229105E-07 -7.1593582E-07 -1.1741818E-03 -1.7620647E-03 5.5574322E-04 24 1.1527070E+00 3.0408245E-07 1.2933272E-07 -4.0599003E-05 -4.3391569E-03 1.3147576E-03 25 6.0997280E-01 -1.3043144E-07 1.1069835E-07 -8.7773151E-06 -2.6662568E-03 9.9355317E-04 26 3.1665140E-01 4.2653578E-08 5.5114522E-09 1.6409158E-06 -6.8297066E-04 1.1735422E-04 27 1.4838013E-01 -1.3114530E-08 1.2972395E-09 -5.4823425E-07 -5.8807637E-05 -7.3615372E-04 28 7.1046076E-02 3.8760712E-09 2.3616023E-09 2.1997825E-07 -2.2754788E-06 -9.7537280E-04 29 3.4179114E-02 -7.3606401E-10 -2.0813605E-09 -6.3073035E-08 -8.2309881E-07 -5.6993091E-04 30 1.6355002E-02 -2.3752500E-11 7.7106687E-10 1.2906001E-08 2.9259928E-08 -9.2881493E-05 3d- 4d- 5d- 1 5.6798749E+04 -1.1875457E-05 5.9799203E-06 -1.5545008E-06 2 1.3709774E+04 -6.9215007E-05 3.4776036E-05 -9.0477191E-06 3 4.5917735E+03 -2.9375398E-04 1.4824189E-04 -3.8558884E-05 4 1.8382681E+03 -1.0145851E-03 5.1254924E-04 -1.3344346E-04 5 8.2623507E+02 -2.9287709E-03 1.4910091E-03 -3.8841715E-04 6 4.0204410E+02 -7.0099565E-03 3.5952322E-03 -9.3825651E-04 7 2.0660807E+02 -1.3737001E-02 7.1732368E-03 -1.8764733E-03 8 1.1058796E+02 -2.1109123E-02 1.1107186E-02 -2.9104744E-03 9 6.0695894E+01 -2.3784225E-02 1.2200538E-02 -3.1823653E-03 10 3.3977162E+01 -1.7648025E-02 7.0329192E-03 -1.7219129E-03 11 1.9115601E+01 -7.1500391E-03 -4.0451712E-03 1.5248499E-03 12 1.0628427E+01 -1.2782200E-03 -1.1277233E-02 3.5677045E-03 13 5.8247645E+00 -7.0632426E-05 -9.7008975E-03 3.0270772E-03 14 3.1281558E+00 -2.4426624E-06 -3.9292736E-03 3.0402758E-04 15 1.6095628E+00 2.5538542E-06 -6.1935032E-04 -2.4526970E-03 16 7.9562027E-01 1.0307760E-06 -2.5248371E-05 -3.1216412E-03 17 3.7717488E-01 6.1232660E-07 -3.0335890E-06 -2.1770074E-03 18 1.6992564E-01 1.7736429E-07 3.8423315E-08 -9.4897322E-04 19 7.1382388E-02 1.1022600E-07 -9.2896998E-08 -1.8705055E-04 3d+ 4d+ 5d+ 1 5.6798749E+04 -4.9755722E-06 2.5013843E-06 -6.3202885E-07 2 1.3709774E+04 -4.0734257E-05 2.0368582E-05 -5.1526055E-06 3 4.5917735E+03 -2.0977210E-04 1.0542477E-04 -2.6658099E-05 4 1.8382681E+03 -8.1105288E-04 4.0785830E-04 -1.0322896E-04 5 8.2623507E+02 -2.5190371E-03 1.2766870E-03 -3.2332195E-04 6 4.0204410E+02 -6.3451727E-03 3.2398462E-03 -8.2191529E-04 7 2.0660807E+02 -1.2895262E-02 6.7056945E-03 -1.7053313E-03 8 1.1058796E+02 -2.0393406E-02 1.0710120E-02 -2.7290442E-03 9 6.0695894E+01 -2.3653590E-02 1.2176454E-02 -3.0921626E-03 10 3.3977162E+01 -1.8175443E-02 7.5763300E-03 -1.8301289E-03 11 1.9115601E+01 -7.6926776E-03 -3.2200900E-03 1.2335264E-03 12 1.0628427E+01 -1.4683418E-03 -1.0835080E-02 3.3318818E-03 13 5.8247645E+00 -9.8017737E-05 -9.8526797E-03 3.0032357E-03 14 3.1281558E+00 -9.8650898E-06 -4.2184845E-03 5.1616063E-04 15 1.6095628E+00 -3.7715392E-07 -7.1198873E-04 -2.1879100E-03 16 7.9562027E-01 -2.5127234E-07 -3.1472648E-05 -3.0021742E-03 17 3.7717488E-01 8.4761165E-08 -3.9804331E-06 -2.2119636E-03 18 1.6992564E-01 -8.3896851E-09 -5.1035860E-08 -1.0292370E-03 19 7.1382388E-02 5.6860456E-09 -1.9222234E-07 -2.3560645E-04 4f- 1 1.2664595E+03 -3.9786133E-05 2 4.3075057E+02 -2.4896443E-04 3 1.8381750E+02 -9.8327416E-04 4 8.8247740E+01 -2.7736003E-03 5 4.5004851E+01 -5.6959435E-03 6 2.3800741E+01 -9.0465623E-03 7 1.2752196E+01 -1.0493040E-02 8 6.7179368E+00 -9.0879509E-03 9 3.3992518E+00 -5.7631021E-03 10 1.5912492E+00 -2.3044077E-03 11 6.5110611E-01 -3.8225902E-04 12 2.5079181E-01 -7.9572656E-06 4f+ 1 1.2664595E+03 -3.3946713E-05 2 4.3075057E+02 -2.2685859E-04 3 1.8381750E+02 -9.2324230E-04 4 8.8247740E+01 -2.6542135E-03 5 4.5004851E+01 -5.5341032E-03 6 2.3800741E+01 -8.8577536E-03 7 1.2752196E+01 -1.0357800E-02 8 6.7179368E+00 -9.0893656E-03 9 3.3992518E+00 -5.8442357E-03 10 1.5912492E+00 -2.3889782E-03 11 6.5110611E-01 -4.1498965E-04 12 2.5079181E-01 -1.0369627E-05 ** Os 192 ** Large component functions ------------------------- 1s+ 2s+ 3s+ 4s+ 5s+ 6s+ 1 6.2722200E+07 1.5409165E-04 -5.9015743E-05 2.8119975E-05 -1.3910391E-05 5.8141074E-06 -1.6749372E-06 2 1.6691888E+07 3.6558122E-04 -1.4050296E-04 6.6984763E-05 -3.3140575E-05 1.3852141E-05 -3.9905717E-06 3 5.7202814E+06 7.3035270E-04 -2.8176489E-04 1.3441323E-04 -6.6510031E-05 2.7800955E-05 -8.0090172E-06 4 2.1834202E+06 1.3338130E-03 -5.1761440E-04 2.4715545E-04 -1.2232538E-04 5.1134105E-05 -1.4731107E-05 5 9.1279212E+05 2.4030395E-03 -9.3886275E-04 4.4877669E-04 -2.2216827E-04 9.2876169E-05 -2.6756576E-05 6 4.0364118E+05 4.2651052E-03 -1.6812807E-03 8.0478853E-04 -3.9855507E-04 1.6662557E-04 -4.8003960E-05 7 1.8701900E+05 7.6230845E-03 -3.0354232E-03 1.4552918E-03 -7.2095651E-04 3.0144332E-04 -8.6844351E-05 8 8.9455107E+04 1.3725620E-02 -5.5337386E-03 2.6583341E-03 -1.3176218E-03 5.5097131E-04 -1.5873768E-04 9 4.3872107E+04 2.4938388E-02 -1.0206169E-02 4.9147201E-03 -2.4372965E-03 1.0193280E-03 -2.9367308E-04 10 2.1918233E+04 4.5276771E-02 -1.8911931E-02 9.1378167E-03 -4.5355920E-03 1.8971933E-03 -5.4662259E-04 11 1.1126912E+04 8.0565222E-02 -3.4678177E-02 1.6841332E-02 -8.3688838E-03 3.5017483E-03 -1.0089377E-03 12 5.7370167E+03 1.3565163E-01 -6.1317103E-02 3.0035253E-02 -1.4958032E-02 6.2616211E-03 -1.8043490E-03 13 3.0101895E+03 2.0416850E-01 -1.0007594E-01 4.9742950E-02 -2.4857718E-02 1.0415117E-02 -3.0014124E-03 14 1.6122153E+03 2.5119871E-01 -1.3972976E-01 7.1146021E-02 -3.5773174E-02 1.5008124E-02 -4.3264328E-03 15 8.8402523E+02 2.2098257E-01 -1.3966042E-01 7.3098770E-02 -3.6991057E-02 1.5547720E-02 -4.4820490E-03 16 4.9770697E+02 1.1401411E-01 -3.6002747E-02 1.4292211E-02 -6.6831369E-03 2.7430558E-03 -7.9027519E-04 17 2.9301159E+02 2.6012228E-02 1.7558658E-01 -1.3310532E-01 7.3689864E-02 -3.1598812E-02 9.1460544E-03 18 1.8041573E+02 3.5533637E-03 3.4804674E-01 -3.1171281E-01 1.8053862E-01 -7.8403826E-02 2.2706414E-02 19 1.1535774E+02 -6.9005331E-04 3.5110134E-01 -3.8135243E-01 2.3218263E-01 -1.0175509E-01 2.9564306E-02 20 7.4326545E+01 6.9899884E-04 2.1069272E-01 -2.3979964E-01 1.5540988E-01 -7.0196268E-02 2.0415025E-02 21 4.8177892E+01 -5.4155560E-04 6.0716158E-02 2.0501343E-01 -1.7568514E-01 8.3840034E-02 -2.4585241E-02 22 3.0325505E+01 2.9053255E-04 8.2620315E-03 6.1959569E-01 -7.0151255E-01 3.6082786E-01 -1.0750749E-01 23 1.8603500E+01 -1.9001876E-04 -2.2141766E-04 4.6764741E-01 -6.2193958E-01 3.2259081E-01 -9.5835988E-02 24 1.0987773E+01 1.1986017E-04 1.9709047E-04 1.1560491E-01 1.8739002E-01 -1.3754291E-01 4.1724558E-02 25 6.5657297E+00 -7.5993809E-05 -3.1525268E-04 6.0380138E-03 7.8470796E-01 -6.3129761E-01 2.0451858E-01 26 3.8995318E+00 5.4948460E-05 1.2836932E-04 2.4698184E-03 4.6636902E-01 -6.2106255E-01 2.1901951E-01 27 2.4498452E+00 -3.1989710E-05 -8.4418866E-05 -6.7572870E-04 9.1369789E-02 9.5799071E-02 -4.6890742E-02 28 1.3087804E+00 1.4979570E-05 4.7961053E-05 2.1418624E-04 1.2955062E-02 6.8160645E-01 -3.1204605E-01 29 7.4086736E-01 -9.3061939E-06 -2.4117052E-05 -1.9953507E-04 -2.8198725E-03 5.2778481E-01 -3.2776786E-01 30 4.1717813E-01 4.8220006E-06 1.4183089E-05 7.6144473E-05 1.8308553E-03 1.4787262E-01 -1.4301790E-01 31 2.1545647E-01 -2.1989959E-06 -6.2382732E-06 -3.8221417E-05 -7.1831439E-04 1.2287084E-02 1.8882904E-01 32 1.0893299E-01 1.0133833E-06 2.8145970E-06 1.8114884E-05 3.2253684E-04 1.6399378E-03 5.0167373E-01 33 5.4644572E-02 -3.9615077E-07 -1.1980113E-06 -5.8473490E-06 -1.4404018E-04 1.1457266E-03 4.5518735E-01 34 2.7088194E-02 9.3197080E-08 2.4990535E-07 1.7851527E-06 2.7821856E-05 2.4426765E-04 1.0823347E-01 2p- 3p- 4p- 5p- 6p- 1 5.4702433E+07 2.1236367E-05 -1.0702414E-05 5.2453590E-06 -2.0411617E-06 4.9280678E-07 2 1.5522873E+07 6.9405650E-05 -3.4979091E-05 1.7143615E-05 -6.6711207E-06 1.6106485E-06 3 4.8207137E+06 1.5646303E-04 -7.8862204E-05 3.8652341E-05 -1.5041191E-05 3.6314599E-06 4 1.6193828E+06 3.1923801E-04 -1.6093457E-04 7.8880596E-05 -3.0695116E-05 7.4109426E-06 5 5.7883979E+05 6.2210686E-04 -3.1372511E-04 1.5378405E-04 -5.9846021E-05 1.4448848E-05 6 2.1811521E+05 1.1868982E-03 -5.9897333E-04 2.9365114E-04 -1.1427302E-04 2.7590218E-05 7 8.6153341E+04 2.2552805E-03 -1.1397357E-03 5.5896775E-04 -2.1755772E-04 5.2525620E-05 8 3.5582204E+04 4.3447811E-03 -2.2017285E-03 1.0804357E-03 -4.2050931E-04 1.0153358E-04 9 1.5362997E+04 8.6361925E-03 -4.3976019E-03 2.1606307E-03 -8.4134546E-04 2.0313082E-04 10 6.9371626E+03 1.7869916E-02 -9.1740587E-03 4.5154178E-03 -1.7583726E-03 4.2462187E-04 11 3.2728678E+03 3.8043319E-02 -1.9787197E-02 9.7708588E-03 -3.8094111E-03 9.1980002E-04 12 1.6084259E+03 8.0046816E-02 -4.2535400E-02 2.1105959E-02 -8.2323367E-03 1.9885656E-03 13 8.1975505E+02 1.5555651E-01 -8.5344150E-02 4.2687817E-02 -1.6692855E-02 4.0316408E-03 14 4.3071237E+02 2.5519203E-01 -1.4580001E-01 7.3658663E-02 -2.8835669E-02 6.9698965E-03 15 2.3213252E+02 3.1259591E-01 -1.8056557E-01 9.1567652E-02 -3.5944067E-02 8.6810169E-03 16 1.2753106E+02 2.3635610E-01 -7.6370100E-02 2.7082444E-02 -9.4069406E-03 2.2499635E-03 17 7.0997917E+01 8.5522271E-02 2.1739502E-01 -1.6678292E-01 7.0754414E-02 -1.7300153E-02 18 4.0276118E+01 1.0014640E-02 4.6632602E-01 -3.7542977E-01 1.6399637E-01 -4.0100867E-02 19 2.3241097E+01 6.7540753E-04 3.4390325E-01 -2.3173805E-01 9.0622588E-02 -2.1948332E-02 20 1.3373491E+01 -2.1448720E-04 9.8296768E-02 2.7399801E-01 -1.6761600E-01 4.2818393E-02 21 7.5326897E+00 2.9256815E-05 8.7180711E-03 5.6831904E-01 -3.5738802E-01 9.1579565E-02 22 4.2412212E+00 -6.9340769E-05 8.9556437E-04 3.3932085E-01 -2.1373406E-01 5.5468534E-02 23 2.3304019E+00 3.1460679E-05 -7.5874967E-05 6.4814540E-02 2.4758316E-01 -8.1775115E-02 24 1.2640445E+00 -1.6708737E-05 5.0906389E-05 2.6645725E-03 5.2571499E-01 -1.7041314E-01 25 6.7308110E-01 1.0711584E-05 -5.1817691E-05 7.1541597E-04 3.6319306E-01 -1.4166022E-01 26 3.5016338E-01 -4.7150864E-06 1.7783222E-05 -1.4767233E-04 9.9396349E-02 3.3309469E-02 27 1.6250069E-01 2.3974601E-06 -1.0500785E-05 6.5397116E-05 9.8402601E-03 3.0254749E-01 28 7.7109863E-02 -1.2513959E-06 5.4297107E-06 -4.1977814E-05 6.7064071E-04 4.5921096E-01 29 3.6580168E-02 5.6956554E-07 -2.4092655E-06 1.6004386E-05 2.8475953E-04 3.1341720E-01 30 1.7236010E-02 -1.6303513E-07 7.0745312E-07 -5.0462956E-06 -1.8494751E-05 4.9539781E-02 2p+ 3p+ 4p+ 5p+ 6p+ 1 5.4702433E+07 5.7107117E-08 -2.9610256E-08 1.4563370E-08 -5.5329559E-09 1.2846371E-09 2 1.5522873E+07 2.4457662E-07 -1.2677990E-07 6.2141928E-08 -2.3519034E-08 5.4638163E-09 3 4.8207137E+06 1.0063994E-06 -5.2234781E-07 2.5680993E-07 -9.7504443E-08 2.2641027E-08 4 1.6193828E+06 3.7973726E-06 -1.9719932E-06 9.6755189E-07 -3.6646454E-07 8.5127545E-08 5 5.7883979E+05 1.3943398E-05 -7.2534758E-06 3.5667318E-06 -1.3537946E-06 3.1438209E-07 6 2.1811521E+05 5.0097803E-05 -2.6097734E-05 1.2817562E-05 -4.8569269E-06 1.1282038E-06 7 8.6153341E+04 1.7760153E-04 -9.2737405E-05 4.5632243E-05 -1.7319477E-05 4.0222110E-06 8 3.5582204E+04 6.1705980E-04 -3.2296381E-04 1.5882003E-04 -6.0206518E-05 1.3985212E-05 9 1.5362997E+04 2.0717222E-03 -1.0884494E-03 5.3628669E-04 -2.0357796E-04 4.7280960E-05 10 6.9371626E+03 6.5811355E-03 -3.4770021E-03 1.7137857E-03 -6.5004334E-04 1.5100298E-04 11 3.2728678E+03 1.9367499E-02 -1.0340250E-02 5.1139575E-03 -1.9427654E-03 4.5125437E-04 12 1.6084259E+03 5.1492624E-02 -2.8006588E-02 1.3900334E-02 -5.2802398E-03 1.2267963E-03 13 8.1975505E+02 1.1909753E-01 -6.6816023E-02 3.3444309E-02 -1.2738587E-02 2.9597068E-03 14 4.3071237E+02 2.2553604E-01 -1.3215546E-01 6.6806670E-02 -2.5473330E-02 5.9213628E-03 15 2.3213252E+02 3.1777999E-01 -1.9463970E-01 9.9791541E-02 -3.8225983E-02 8.8859733E-03 16 1.2753106E+02 2.8275825E-01 -1.4216105E-01 6.6719652E-02 -2.4899284E-02 5.7773544E-03 17 7.0997917E+01 1.2730153E-01 1.2591983E-01 -1.0373727E-01 4.3072136E-02 -1.0124985E-02 18 4.0276118E+01 2.0310335E-02 4.4340224E-01 -3.5427223E-01 1.4966064E-01 -3.5173199E-02 19 2.3241097E+01 1.3656637E-03 4.0909237E-01 -3.1971934E-01 1.3030604E-01 -3.0541892E-02 20 1.3373491E+01 -3.2549765E-04 1.4820417E-01 1.4984468E-01 -9.5523928E-02 2.3494327E-02 21 7.5326897E+00 9.2710752E-05 1.7949291E-02 5.4962696E-01 -3.2565482E-01 7.9665483E-02 22 4.2412212E+00 -1.3176223E-04 1.1481711E-03 4.2263593E-01 -2.8686566E-01 7.1782815E-02 23 2.3304019E+00 6.7784834E-05 7.0898612E-05 1.0772526E-01 1.2894360E-01 -4.1730972E-02 24 1.2640445E+00 -3.8233698E-05 -1.9679406E-05 6.7335393E-03 4.9084524E-01 -1.4771646E-01 25 6.7308110E-01 2.3275776E-05 -2.4505644E-05 1.1614441E-03 4.2975457E-01 -1.5507048E-01 26 3.5016338E-01 -1.0851609E-05 9.2060266E-07 -1.8023341E-04 1.6001762E-01 -3.1181383E-02 27 1.6250069E-01 5.3654808E-06 -3.6046523E-06 1.0103799E-04 2.0716630E-02 2.1991710E-01 28 7.7109863E-02 -2.8265713E-06 1.5747565E-06 -6.0150656E-05 7.9786541E-04 4.4227012E-01 29 3.6580168E-02 1.2903430E-06 -6.2320050E-07 2.3081613E-05 6.4156384E-04 3.9240438E-01 30 1.7236010E-02 -3.6894703E-07 2.1851982E-07 -7.5137600E-06 -5.2651938E-05 9.8444476E-02 3d- 4d- 5d- 1 6.1024283E+04 3.2494124E-05 -1.6438215E-05 4.4911080E-06 2 1.4692679E+04 1.6567645E-04 -8.3835583E-05 2.2914689E-05 3 4.9051336E+03 7.4024338E-04 -3.7582182E-04 1.0272334E-04 4 1.9579044E+03 3.0776143E-03 -1.5658757E-03 4.2842200E-04 5 8.7787916E+02 1.1570504E-02 -5.9311594E-03 1.6237165E-03 6 4.2643111E+02 3.7236192E-02 -1.9232501E-02 5.2751197E-03 7 2.1887206E+02 9.9098966E-02 -5.2092461E-02 1.4320970E-02 8 1.1705532E+02 2.0692231E-01 -1.0967256E-01 3.0209094E-02 9 6.4219292E+01 3.1637698E-01 -1.6372040E-01 4.4888903E-02 10 3.5937939E+01 3.1864241E-01 -1.3057122E-01 3.3769712E-02 11 2.0225084E+01 1.7651236E-01 8.7107660E-02 -3.5651441E-02 12 1.1261071E+01 4.4274110E-02 3.5416304E-01 -1.1852378E-01 13 6.1854487E+00 3.9316760E-03 4.2028838E-01 -1.3904852E-01 14 3.3371404E+00 5.1145358E-04 2.3503330E-01 -2.1084181E-02 15 1.7304695E+00 1.9782814E-05 5.2420341E-02 2.0865008E-01 16 8.6341140E-01 2.1452737E-05 3.2565882E-03 3.7079062E-01 17 4.1297429E-01 -1.3680166E-05 5.9818018E-04 3.6408780E-01 18 1.8754267E-01 9.2210787E-07 4.2694975E-05 2.2719377E-01 19 7.9256192E-02 -1.8632742E-06 6.0050748E-05 6.5243560E-02 3d+ 4d+ 5d+ 1 6.1024283E+04 3.5358313E-06 -1.7911827E-06 4.7557680E-07 2 1.4692679E+04 4.5162060E-05 -2.2809656E-05 6.0642279E-06 3 4.9051336E+03 3.5330625E-04 -1.7922337E-04 4.7621784E-05 4 1.9579044E+03 2.0204726E-03 -1.0258830E-03 2.7289141E-04 5 8.7787916E+02 9.0447322E-03 -4.6264198E-03 1.2311899E-03 6 4.2643111E+02 3.2169164E-02 -1.6574959E-02 4.4191644E-03 7 2.1887206E+02 9.0802459E-02 -4.7620619E-02 1.2725808E-02 8 1.1705532E+02 1.9716537E-01 -1.0450480E-01 2.7990220E-02 9 6.4219292E+01 3.1201700E-01 -1.6234566E-01 4.3332537E-02 10 3.5937939E+01 3.2614011E-01 -1.3975608E-01 3.5631654E-02 11 2.0225084E+01 1.8856795E-01 6.7003681E-02 -2.8248715E-02 12 1.1261071E+01 4.9904934E-02 3.3902983E-01 -1.1028087E-01 13 6.1854487E+00 4.6570104E-03 4.2631873E-01 -1.3772517E-01 14 3.3371404E+00 5.9298918E-04 2.5227707E-01 -3.4403610E-02 15 1.7304695E+00 2.5933570E-05 6.0197549E-02 1.8567003E-01 16 8.6341140E-01 2.7190902E-05 3.9705887E-03 3.5661978E-01 17 4.1297429E-01 -1.6044978E-05 7.1201317E-04 3.7104229E-01 18 1.8754267E-01 1.4303368E-06 4.9285578E-05 2.4877942E-01 19 7.9256192E-02 -2.3687003E-06 7.9375385E-05 8.4138487E-02 4f- 1 1.3510434E+03 1.2664942E-04 2 4.5876705E+02 1.1537425E-03 3 1.9570155E+02 6.6500129E-03 4 9.3951720E+01 2.6729739E-02 5 4.7970864E+01 7.6763442E-02 6 2.5408059E+01 1.6842433E-01 7 1.3653935E+01 2.6873550E-01 8 7.2290199E+00 3.2195191E-01 9 3.6887249E+00 2.8575122E-01 10 1.7495829E+00 1.6350825E-01 11 7.2991987E-01 4.1100892E-02 12 2.8417474E-01 1.5040895E-03 4f+ 1 1.3510434E+03 8.9238271E-05 2 4.5876705E+02 9.8736396E-04 3 1.9570155E+02 6.0804733E-03 4 9.3951720E+01 2.5267604E-02 5 4.7970864E+01 7.4162435E-02 6 2.5408059E+01 1.6442378E-01 7 1.3653935E+01 2.6485371E-01 8 7.2290199E+00 3.2177471E-01 9 3.6887249E+00 2.8974010E-01 10 1.7495829E+00 1.6939515E-01 11 7.2991987E-01 4.4476051E-02 12 2.8417474E-01 1.8988256E-03 Small component functions ------------------------- 1s+ 2s+ 3s+ 4s+ 5s+ 6s+ 1 6.2722200E+07 -1.9196127E-04 7.3335778E-05 -3.4929101E-05 1.7276973E-05 -7.2210826E-06 2.0802488E-06 2 1.6691888E+07 -6.5215885E-04 2.4917523E-04 -1.1868214E-04 5.8704765E-05 -2.4536148E-05 7.0684138E-06 3 5.7202814E+06 -1.2384997E-03 4.7343937E-04 -2.2551701E-04 1.1154963E-04 -4.6623614E-05 1.3431312E-05 4 2.1834202E+06 -2.2404149E-03 8.5699820E-04 -4.0826624E-04 2.0195496E-04 -8.4409447E-05 2.4316932E-05 5 9.1279212E+05 -3.6975138E-03 1.4158525E-03 -6.7461497E-04 3.3371109E-04 -1.3948158E-04 4.0181739E-05 6 4.0364118E+05 -6.0232398E-03 2.3102929E-03 -1.1011125E-03 5.4474800E-04 -2.2768892E-04 6.5593892E-05 7 1.8701900E+05 -9.4556259E-03 3.6368793E-03 -1.7341895E-03 8.5799812E-04 -3.5863535E-04 1.0331557E-04 8 8.9455107E+04 -1.4678972E-02 5.6730369E-03 -2.7073798E-03 1.3398486E-03 -5.6005749E-04 1.6134716E-04 9 4.3872107E+04 -2.2224421E-02 8.6606495E-03 -4.1391473E-03 2.0489765E-03 -8.5656869E-04 2.4676390E-04 10 2.1918233E+04 -3.2817129E-02 1.2980101E-02 -6.2199539E-03 3.0812727E-03 -1.2882694E-03 3.7115345E-04 11 1.1126912E+04 -4.6249922E-02 1.8783155E-02 -9.0432103E-03 4.4845609E-03 -1.8755577E-03 5.4035069E-04 12 5.7370167E+03 -6.0501052E-02 2.5759536E-02 -1.2508801E-02 6.2169057E-03 -2.6012282E-03 7.4951658E-04 13 3.0101895E+03 -6.9691330E-02 3.2189297E-02 -1.5868566E-02 7.9146108E-03 -3.3146553E-03 9.5514289E-04 14 1.6122153E+03 -6.5154195E-02 3.4242113E-02 -1.7311620E-02 8.6903438E-03 -3.6445250E-03 1.0505573E-03 15 8.8402523E+02 -4.3441579E-02 2.6154158E-02 -1.3637432E-02 6.8956142E-03 -2.8977629E-03 8.3533460E-04 16 4.9770697E+02 -1.7062407E-02 5.5439709E-03 -2.3574738E-03 1.1296314E-03 -4.6694992E-04 1.3461116E-04 17 2.9301159E+02 -2.9978201E-03 -1.8642104E-02 1.3964135E-02 -7.7113761E-03 3.3047486E-03 -9.5646998E-04 18 1.8041573E+02 -3.3349048E-04 -2.9537388E-02 2.6197174E-02 -1.5142943E-02 6.5733069E-03 -1.9035400E-03 19 1.1535774E+02 6.1976862E-05 -2.3990936E-02 2.5847377E-02 -1.5718609E-02 6.8871818E-03 -2.0009663E-03 20 7.4326545E+01 -5.0787748E-05 -1.1583094E-02 1.3134918E-02 -8.5116218E-03 3.8437090E-03 -1.1178275E-03 21 4.8177892E+01 3.2734874E-05 -2.6966563E-03 -8.9191358E-03 7.6171364E-03 -3.6316375E-03 1.0647331E-03 22 3.0325505E+01 -1.5502656E-05 -2.8834090E-04 -2.1578279E-02 2.4377407E-02 -1.2533859E-02 3.7342362E-03 23 1.8603500E+01 8.2817108E-06 4.8457880E-06 -1.2774824E-02 1.6966209E-02 -8.8000960E-03 2.6143662E-03 24 1.0987773E+01 -4.3794267E-06 -3.3782007E-06 -2.4285612E-03 -3.9143214E-03 2.8716128E-03 -8.7096997E-04 25 6.5657297E+00 2.4613960E-06 4.6067735E-06 -9.7701183E-05 -1.2709666E-02 1.0219626E-02 -3.3105438E-03 26 3.8995318E+00 -1.5166432E-06 -1.2495240E-06 -3.1084345E-05 -5.8231941E-03 7.7513281E-03 -2.7334299E-03 27 2.4498452E+00 7.9628219E-07 6.2598972E-07 6.8187580E-06 -9.0434893E-04 -9.4674400E-04 4.6336679E-04 28 1.3087804E+00 -3.3431501E-07 -2.4608415E-07 -1.6085273E-06 -9.3711375E-05 -4.9279632E-03 2.2558954E-03 29 7.4086736E-01 1.8765046E-07 6.8847017E-08 1.1217933E-06 1.5345756E-05 -2.8711730E-03 1.7829419E-03 30 4.1717813E-01 -9.1729532E-08 -2.4660667E-08 -3.2959575E-07 -7.4755093E-06 -6.0363437E-04 5.8378993E-04 31 2.1545647E-01 3.9714992E-08 2.7588140E-09 1.2072518E-07 2.1073948E-06 -3.6050230E-05 -5.5390666E-04 32 1.0893299E-01 -1.7981235E-08 1.6132857E-09 -4.1858563E-08 -6.7266658E-07 -3.4186469E-06 -1.0464001E-03 33 5.4644572E-02 7.2394493E-09 -1.3907512E-09 1.0337748E-08 2.1268820E-07 -1.6934149E-06 -6.7245176E-04 34 2.7088194E-02 -1.8381655E-09 5.7134542E-10 -2.2997602E-09 -2.8898500E-08 -2.5385850E-07 -1.1257723E-04 2p- 3p- 4p- 5p- 6p- 1 5.4702433E+07 -6.8808443E-06 3.4688234E-06 -1.7003477E-06 6.6179877E-07 -1.5976942E-07 2 1.5522873E+07 -2.3628985E-05 1.1917014E-05 -5.8412299E-06 2.2726922E-06 -5.4875136E-07 3 4.8207137E+06 -5.5742327E-05 2.8128467E-05 -1.3791181E-05 5.3680570E-06 -1.2959400E-06 4 1.6193828E+06 -1.1752528E-04 5.9362169E-05 -2.9106506E-05 1.1324966E-05 -2.7345462E-06 5 5.7883979E+05 -2.3766556E-04 1.2019997E-04 -5.8965187E-05 2.2955479E-05 -5.5417844E-06 6 2.1811521E+05 -4.7287767E-04 2.3962585E-04 -1.1757903E-04 4.5753347E-05 -1.1048164E-05 7 8.6153341E+04 -9.3719764E-04 4.7609632E-04 -2.3379686E-04 9.1042981E-05 -2.1979275E-05 8 3.5582204E+04 -1.8530532E-03 9.4462951E-04 -4.6414052E-04 1.8065733E-04 -4.3626062E-05 9 1.5362997E+04 -3.6312926E-03 1.8597513E-03 -9.1500113E-04 3.5646904E-04 -8.6060703E-05 10 6.9371626E+03 -6.9495916E-03 3.5850857E-03 -1.7663774E-03 6.8791450E-04 -1.6613634E-04 11 3.2728678E+03 -1.2731206E-02 6.6454906E-03 -3.2842656E-03 1.2808050E-03 -3.0924998E-04 12 1.6084259E+03 -2.1673841E-02 1.1548279E-02 -5.7333345E-03 2.2363881E-03 -5.4023512E-04 13 8.1975505E+02 -3.2713351E-02 1.7997605E-02 -9.0075393E-03 3.5229603E-03 -8.5085907E-04 14 4.3071237E+02 -4.0744874E-02 2.3370453E-02 -1.1815939E-02 4.6262568E-03 -1.1182549E-03 15 2.3213252E+02 -3.7459445E-02 2.1796491E-02 -1.1073130E-02 4.3485213E-03 -1.0502712E-03 16 1.2753106E+02 -2.0989465E-02 6.8806775E-03 -2.4632556E-03 8.5845134E-04 -2.0543150E-04 17 7.0997917E+01 -5.3438721E-03 -1.4932913E-02 1.1401693E-02 -4.8332727E-03 1.1816863E-03 18 4.0276118E+01 -1.5139493E-04 -2.4161664E-02 1.9411542E-02 -8.4767451E-03 2.0726864E-03 19 2.3241097E+01 2.1536702E-04 -1.3557329E-02 9.1445448E-03 -3.5799024E-03 8.6715956E-04 20 1.3373491E+01 1.7214254E-04 -2.9426771E-03 -8.1437137E-03 4.9839085E-03 -1.2732308E-03 21 7.5326897E+00 1.0861074E-04 -1.9826126E-04 -1.2709916E-02 7.9938020E-03 -2.0484115E-03 22 4.2412212E+00 7.3764649E-05 -1.6414023E-05 -5.6921126E-03 3.5886616E-03 -9.3145407E-04 23 2.3304019E+00 4.7065980E-05 -1.4929940E-07 -7.9982273E-04 -3.0845734E-03 1.0185893E-03 24 1.2640445E+00 3.1960332E-05 -1.0727927E-06 -1.9321476E-05 -4.8231614E-03 1.5633223E-03 25 6.7308110E-01 1.8630285E-05 -7.6245491E-08 -1.7153079E-06 -2.4316529E-03 9.4834935E-04 26 3.5016338E-01 1.4522419E-05 -3.7288300E-07 3.0609014E-06 -4.8026822E-04 -1.6067283E-04 27 1.6250069E-01 7.2597712E-06 -1.2499258E-07 9.7530021E-07 -3.2555246E-05 -9.9496674E-04 28 7.7109863E-02 6.0182690E-06 -1.3392624E-07 1.0713762E-06 -1.6731523E-06 -1.0403089E-03 29 3.6580168E-02 6.3128367E-07 -1.1417862E-08 7.9700436E-08 -4.6139950E-07 -4.8905910E-04 30 1.7236010E-02 3.5079677E-06 -7.3476015E-08 5.7625420E-07 -7.0524439E-08 -5.3027545E-05 2p+ 3p+ 4p+ 5p+ 6p+ 1 5.4702433E+07 -1.0948843E-07 5.6842393E-08 -2.8171407E-08 1.0791888E-08 -2.5025153E-09 2 1.5522873E+07 -5.5426580E-07 2.8674670E-07 -1.3985590E-07 5.2655807E-08 -1.2242275E-08 3 4.8207137E+06 -2.1410574E-06 1.1103209E-06 -5.4737231E-07 2.0849895E-07 -4.8389875E-08 4 1.6193828E+06 -7.5275295E-06 3.8977115E-06 -1.9075252E-06 7.2084848E-07 -1.6750058E-07 5 5.7883979E+05 -2.4732579E-05 1.2822713E-05 -6.3075446E-06 2.3967973E-06 -5.5646998E-07 6 2.1811521E+05 -7.6373193E-05 3.9577669E-05 -1.9400793E-05 7.3438339E-06 -1.7060328E-06 7 8.6153341E+04 -2.2271341E-04 1.1555183E-04 -5.6796610E-05 2.1559846E-05 -5.0064443E-06 8 3.5582204E+04 -6.1094178E-04 3.1726064E-04 -1.5569337E-04 5.8982774E-05 -1.3700866E-05 9 1.5362997E+04 -1.5672806E-03 8.1630828E-04 -4.0144651E-04 1.5234996E-04 -3.5380668E-05 10 6.9371626E+03 -3.7203932E-03 1.9474618E-03 -9.5775080E-04 3.6307978E-04 -8.4338827E-05 11 3.2728678E+03 -8.0847202E-03 4.2764004E-03 -2.1105513E-03 8.0146786E-04 -1.8614896E-04 12 1.6084259E+03 -1.5808869E-02 8.5204882E-03 -4.2200129E-03 1.6022773E-03 -3.7225106E-04 13 8.1975505E+02 -2.6919976E-02 1.4976260E-02 -7.4823809E-03 2.8489015E-03 -6.6188667E-04 14 4.3071237E+02 -3.7657566E-02 2.1901610E-02 -1.1053531E-02 4.2132205E-03 -9.7934022E-04 15 2.3213252E+02 -3.9413510E-02 2.3994375E-02 -1.2288288E-02 4.7061348E-03 -1.0939553E-03 16 1.2753106E+02 -2.6170070E-02 1.3133608E-02 -6.1734383E-03 2.3050305E-03 -5.3486458E-04 17 7.0997917E+01 -8.8186350E-03 -8.5630223E-03 7.0507043E-03 -2.9267677E-03 6.8798665E-04 18 4.0276118E+01 -1.0621002E-03 -2.2935352E-02 1.8297435E-02 -7.7275788E-03 1.8160765E-03 19 2.3241097E+01 -5.3622241E-05 -1.6113125E-02 1.2582269E-02 -5.1284743E-03 1.2020614E-03 20 1.3373491E+01 9.4477261E-06 -4.4296366E-03 -4.4602597E-03 2.8432201E-03 -6.9929254E-04 21 7.5326897E+00 -1.8888334E-06 -4.0327411E-04 -1.2306067E-02 7.2889944E-03 -1.7830538E-03 22 4.2412212E+00 2.0956747E-06 -1.8980804E-05 -7.1038123E-03 4.8204570E-03 -1.2062164E-03 23 2.3304019E+00 -7.7115161E-07 -1.0768546E-06 -1.3420824E-03 -1.6054086E-03 5.1955378E-04 24 1.2640445E+00 3.0675376E-07 2.9247493E-07 -6.1887494E-05 -4.5023384E-03 1.3548969E-03 25 6.7308110E-01 -1.3111708E-07 1.0294079E-07 -7.7223477E-06 -2.8766828E-03 1.0379665E-03 26 3.5016338E-01 3.9957697E-08 2.5767010E-08 8.4384952E-07 -7.7256864E-04 1.5054838E-04 27 1.6250069E-01 -1.1679863E-08 -2.4275933E-09 -3.1979387E-07 -6.8141454E-05 -7.2327350E-04 28 7.7109863E-02 3.1519015E-09 4.1395995E-09 1.2950872E-07 -1.8052117E-06 -1.0019886E-03 29 3.6580168E-02 -4.5717409E-10 -2.6907468E-09 -3.2792401E-08 -1.0022693E-06 -6.1231869E-04 30 1.7236010E-02 -8.8375015E-11 8.9848728E-10 7.0493580E-09 5.6749300E-08 -1.0544639E-04 3d- 4d- 5d- 1 6.1024283E+04 -1.1625659E-05 5.8969847E-06 -1.6107670E-06 2 1.4692679E+04 -6.7474006E-05 3.4156019E-05 -9.3401605E-06 3 4.9051336E+03 -2.8631206E-04 1.4554968E-04 -3.9783260E-05 4 1.9579044E+03 -9.9068679E-04 5.0418600E-04 -1.3796429E-04 5 8.7787916E+02 -2.8705711E-03 1.4719316E-03 -4.0295756E-04 6 4.2643111E+02 -6.9114009E-03 3.5700906E-03 -9.7924774E-04 7 2.1887206E+02 -1.3649683E-02 7.1762608E-03 -1.9728817E-03 8 1.1705532E+02 -2.1213000E-02 1.1249059E-02 -3.0988228E-03 9 6.4219292E+01 -2.4239595E-02 1.2555101E-02 -3.4428630E-03 10 3.5937939E+01 -1.8336539E-02 7.5301848E-03 -1.9487627E-03 11 2.0225084E+01 -7.6163619E-03 -3.7663835E-03 1.5413480E-03 12 1.1261071E+01 -1.4084899E-03 -1.1458782E-02 3.8345105E-03 13 6.1854487E+00 -8.0895667E-05 -1.0084483E-02 3.3366540E-03 14 3.3371404E+00 -2.4494550E-06 -4.1423085E-03 3.7224006E-04 15 1.7304695E+00 2.8795085E-06 -6.6419595E-04 -2.6489689E-03 16 8.6341140E-01 1.1582429E-06 -2.8526957E-05 -3.3256549E-03 17 4.1297429E-01 6.9276163E-07 -3.3899864E-06 -2.2585233E-03 18 1.8754267E-01 2.0118739E-07 -7.4169667E-08 -9.4975083E-04 19 7.9256192E-02 1.2684180E-07 -9.9249682E-08 -1.7728415E-04 3d+ 4d+ 5d+ 1 6.1024283E+04 -4.7244252E-06 2.3928388E-06 -6.3491862E-07 2 1.4692679E+04 -3.8884766E-05 1.9594270E-05 -5.2085257E-06 3 4.9051336E+03 -2.0159464E-04 1.0207550E-04 -2.7112386E-05 4 1.9579044E+03 -7.8439987E-04 3.9744604E-04 -1.0569136E-04 5 8.7787916E+02 -2.4525602E-03 1.2521409E-03 -3.3311519E-04 6 4.2643111E+02 -6.2272307E-03 3.2029215E-03 -8.5372069E-04 7 2.1887206E+02 -1.2773376E-02 6.6884337E-03 -1.7869201E-03 8 1.1705532E+02 -2.0450905E-02 1.0825432E-02 -2.8988763E-03 9 6.4219292E+01 -2.4073910E-02 1.2513649E-02 -3.3396232E-03 10 3.5937939E+01 -1.8873070E-02 8.0867455E-03 -2.0621316E-03 11 2.0225084E+01 -8.1959553E-03 -2.8958951E-03 1.2217853E-03 12 1.1261071E+01 -1.6191802E-03 -1.0976087E-02 3.5697240E-03 13 6.1854487E+00 -1.1195821E-04 -1.0235080E-02 3.3059806E-03 14 3.3371404E+00 -1.0472735E-05 -4.4497337E-03 6.0704529E-04 15 1.7304695E+00 -3.2426626E-07 -7.6461127E-04 -2.3575260E-03 16 8.6341140E-01 -2.4645229E-07 -3.5630440E-05 -3.1987977E-03 17 4.1297429E-01 1.0068438E-07 -4.4142699E-06 -2.3018018E-03 18 1.8754267E-01 -6.4363842E-09 -2.0732668E-07 -1.0400401E-03 19 7.9256192E-02 6.5713212E-09 -2.1531909E-07 -2.2866445E-04 4f- 1 1.3510434E+03 -3.9013291E-05 2 4.5876705E+02 -2.4555463E-04 3 1.9570155E+02 -9.7552102E-04 4 9.3951720E+01 -2.7802784E-03 5 4.7970864E+01 -5.7646976E-03 6 2.5408059E+01 -9.2485291E-03 7 1.3653935E+01 -1.0843460E-02 8 7.2290199E+00 -9.4634486E-03 9 3.6887249E+00 -6.0030869E-03 10 1.7495829E+00 -2.3660813E-03 11 7.2991987E-01 -3.8404844E-04 12 2.8417474E-01 -8.7017521E-06 4f+ 1 1.3510434E+03 -3.3077012E-05 2 4.5876705E+02 -2.2295126E-04 3 1.9570155E+02 -9.1415437E-04 4 9.3951720E+01 -2.6570363E-03 5 4.7970864E+01 -5.5974308E-03 6 2.5408059E+01 -9.0545222E-03 7 1.3653935E+01 -1.0703791E-02 8 7.2290199E+00 -9.4669392E-03 9 3.6887249E+00 -6.0907801E-03 10 1.7495829E+00 -2.4526333E-03 11 7.2991987E-01 -4.1595248E-04 12 2.8417474E-01 -1.1079653E-05 ** Ir 193 ** Large component functions ------------------------- 1s+ 2s+ 3s+ 4s+ 5s+ 6s+ 1 6.2632457E+07 1.6461134E-04 -6.3336067E-05 3.0231825E-05 -1.5005219E-05 -6.3481124E-06 -1.8370208E-06 2 1.6668377E+07 3.8989995E-04 -1.5055025E-04 7.1902988E-05 -3.5692655E-05 -1.5100647E-05 -4.3698653E-06 3 5.7097097E+06 7.7761706E-04 -3.0142779E-04 1.4405013E-04 -7.1518834E-05 -3.0258823E-05 -8.7564026E-06 4 2.1773440E+06 1.4177206E-03 -5.5285505E-04 2.6446591E-04 -1.3132912E-04 -5.5567032E-05 -1.6080396E-05 5 9.0923239E+05 2.5490429E-03 -1.0009340E-03 4.7932010E-04 -2.3809823E-04 -1.0074840E-04 -2.9155389E-05 6 4.0171747E+05 4.5089887E-03 -1.7867143E-03 8.5689679E-04 -4.2576714E-04 -1.8017385E-04 -5.2141442E-05 7 1.8624645E+05 8.0032683E-03 -3.2044129E-03 1.5392037E-03 -7.6518281E-04 -3.2383380E-04 -9.3715779E-05 8 8.9430094E+04 1.4226587E-02 -5.7684109E-03 2.7767225E-03 -1.3808079E-03 -5.8444569E-04 -1.6914257E-04 9 4.4243040E+04 2.5347376E-02 -1.0435236E-02 5.0346623E-03 -2.5057336E-03 -1.0607198E-03 -3.0697645E-04 10 2.2422615E+04 4.4820358E-02 -1.8827500E-02 9.1162733E-03 -4.5393045E-03 -1.9219685E-03 -5.5626660E-04 11 1.1615563E+04 7.7329164E-02 -3.3446507E-02 1.6270508E-02 -8.1150135E-03 -3.4368474E-03 -9.9469912E-04 12 6.1392268E+03 1.2665702E-01 -5.7335781E-02 2.8128483E-02 -1.4048367E-02 -5.9526815E-03 -1.7230998E-03 13 3.3077591E+03 1.8831390E-01 -9.1790613E-02 4.5610829E-02 -2.2873648E-02 -9.6993325E-03 -2.8076723E-03 14 1.8165542E+03 2.3634780E-01 -1.2900494E-01 6.5558462E-02 -3.3009075E-02 -1.4015750E-02 -4.0586563E-03 15 1.0177194E+03 2.2358727E-01 -1.3904012E-01 7.2461967E-02 -3.6827019E-02 -1.5660494E-02 -4.5346496E-03 16 5.8277457E+02 1.3511537E-01 -6.6318351E-02 3.2826765E-02 -1.6245068E-02 -6.8840427E-03 -1.9948386E-03 17 3.4258918E+02 4.1372572E-02 1.1859403E-01 -9.0401915E-02 4.9591991E-02 2.1523330E-02 6.2592636E-03 18 2.0843540E+02 5.1232220E-03 3.2896825E-01 -2.7970689E-01 1.6164955E-01 7.0841531E-02 2.0605605E-02 19 1.2897151E+02 2.5855635E-04 3.9456724E-01 -4.2128309E-01 2.5345938E-01 1.1238348E-01 3.2788048E-02 20 7.9127728E+01 4.6416702E-05 2.5424616E-01 -2.7532145E-01 1.8097991E-01 8.2351716E-02 2.4079289E-02 21 4.6130893E+01 -9.7944990E-05 6.3336274E-02 2.8979771E-01 -2.6868176E-01 -1.3136507E-01 -3.8848772E-02 22 2.8962076E+01 4.3172369E-05 -1.8045202E-03 6.2333448E-01 -7.2768595E-01 -3.8485812E-01 -1.1561817E-01 23 1.8419384E+01 -5.8135275E-05 3.8532590E-03 3.6361524E-01 -5.1306238E-01 -2.6399473E-01 -7.8245425E-02 24 1.2319509E+01 4.0933194E-05 -2.1043643E-03 1.1503827E-01 1.2949272E-01 8.8109329E-02 2.5797651E-02 25 7.2638879E+00 -1.4997225E-05 7.2859100E-04 1.8682806E-02 7.6077574E-01 6.1986430E-01 2.0187032E-01 26 4.2595464E+00 1.0647462E-05 -4.5356605E-04 -6.9717985E-04 5.6161218E-01 6.8080375E-01 2.3914708E-01 27 2.3131504E+00 -6.3575628E-06 2.6189520E-04 9.8790800E-04 9.8733773E-02 -8.4832604E-02 -4.6911761E-02 28 1.3863194E+00 4.2407960E-06 -1.7662441E-04 -7.1370516E-04 -3.5231946E-03 -6.6607039E-01 -3.0607234E-01 29 8.0618429E-01 -2.6151448E-06 1.0568647E-04 3.1418647E-04 3.6361126E-03 -5.1539456E-01 -3.1959102E-01 30 4.6660701E-01 1.1629314E-06 -4.7529760E-05 -1.6916546E-04 -8.5502508E-04 -1.6937139E-01 -1.4396490E-01 31 2.2410950E-01 -4.7377981E-07 1.9235292E-05 6.2414423E-05 3.7973706E-04 -1.6046357E-02 1.8554097E-01 32 1.1629622E-01 2.4205268E-07 -9.8542085E-06 -3.1137055E-05 -1.8667248E-04 -1.6224112E-04 4.8329292E-01 33 5.8734264E-02 -9.2630317E-08 3.7446768E-06 1.3467990E-05 5.2966574E-05 -1.5861518E-03 4.5755327E-01 34 2.9002058E-02 2.1867135E-08 -8.9395990E-07 -2.6297740E-06 -1.8431178E-05 -1.7121629E-04 1.1813217E-01 2p- 3p- 4p- 5p- 6p- 1 5.6087813E+07 2.1813385E-05 -1.1016193E-05 5.4212197E-06 -2.1420481E-06 5.1557216E-07 2 1.6153892E+07 7.1689365E-05 -3.6205450E-05 1.7817172E-05 -7.0398646E-06 1.6944469E-06 3 5.0677109E+06 1.6098207E-04 -8.1309454E-05 4.0014741E-05 -1.5810898E-05 3.8055414E-06 4 1.7164343E+06 3.2659011E-04 -1.6498423E-04 8.1195838E-05 -3.2082026E-05 7.7219676E-06 5 6.1777787E+05 6.3248609E-04 -3.1962303E-04 1.5731573E-04 -6.2162251E-05 1.4961843E-05 6 2.3405955E+05 1.1995166E-03 -6.0658525E-04 2.9859527E-04 -1.1798392E-04 2.8398618E-05 7 9.2800345E+04 2.2649675E-03 -1.1469386E-03 5.6479508E-04 -2.2320801E-04 5.3723660E-05 8 3.8418330E+04 4.3276319E-03 -2.1972330E-03 1.0825871E-03 -4.2782270E-04 1.0298249E-04 9 1.6614372E+04 8.5086233E-03 -4.3403711E-03 2.1411328E-03 -8.4658288E-04 2.0376383E-04 10 7.5084764E+03 1.7405964E-02 -8.9494529E-03 4.4222619E-03 -1.7485284E-03 4.2095474E-04 11 3.5413341E+03 3.6723892E-02 -1.9123045E-02 9.4800285E-03 -3.7528989E-03 9.0334605E-04 12 1.7382606E+03 7.6954853E-02 -4.0907996E-02 2.0373321E-02 -8.0681516E-03 1.9429919E-03 13 8.8452069E+02 1.4997501E-01 -8.2244204E-02 4.1285985E-02 -1.6392782E-02 3.9468551E-03 14 4.6403513E+02 2.4876430E-01 -1.4193781E-01 7.1936575E-02 -2.8589897E-02 6.8898034E-03 15 2.4974630E+02 3.1165273E-01 -1.8067509E-01 9.2085513E-02 -3.6718107E-02 8.8404364E-03 16 1.3710068E+02 2.4469518E-01 -8.8654276E-02 3.4799247E-02 -1.2728883E-02 3.0476565E-03 17 7.6326436E+01 9.3913514E-02 1.9584663E-01 -1.5245440E-01 6.5768773E-02 -1.6050145E-02 18 4.3285764E+01 1.2085914E-02 4.5873865E-01 -3.6902813E-01 1.6372349E-01 -3.9921331E-02 19 2.5017090E+01 7.8146779E-04 3.6030338E-01 -2.5687214E-01 1.0483577E-01 -2.5427967E-02 20 1.4417902E+01 -2.1305588E-04 1.1099056E-01 2.4204832E-01 -1.5389911E-01 3.9423792E-02 21 8.1248927E+00 3.2944678E-05 1.0557767E-02 5.6857360E-01 -3.6263885E-01 9.2726153E-02 22 4.5904468E+00 -7.7406535E-05 9.9641178E-04 3.6040186E-01 -2.3809928E-01 6.2199728E-02 23 2.5389400E+00 3.6139683E-05 -9.3351172E-05 7.3885834E-02 2.2861308E-01 -7.7357129E-02 24 1.3883217E+00 -1.9183167E-05 6.2468776E-05 3.3113889E-03 5.2536057E-01 -1.6983810E-01 25 7.4380647E-01 1.2262871E-05 -6.3587109E-05 8.2206647E-04 3.7632382E-01 -1.4388984E-01 26 3.8824218E-01 -5.1227308E-06 2.0581692E-05 -1.5619777E-04 1.0904908E-01 2.7132806E-02 27 1.7730746E-01 2.5247686E-06 -1.1985474E-05 7.2627613E-05 1.0961640E-02 2.9382518E-01 28 8.3178046E-02 -1.2977445E-06 6.0871229E-06 -4.5136564E-05 4.8918456E-04 4.5939258E-01 29 3.8896432E-02 5.8798351E-07 -2.6931502E-06 1.7288216E-05 3.4010786E-04 3.2419462E-01 30 1.8072660E-02 -1.6973228E-07 7.9680894E-07 -5.4929835E-06 -3.3590497E-05 5.3038371E-02 2p+ 3p+ 4p+ 5p+ 6p+ 1 5.6087813E+07 5.8518789E-08 -3.0438669E-08 1.5042058E-08 -5.8078472E-09 1.3298726E-09 2 1.6153892E+07 2.4697465E-07 -1.2838058E-07 6.3198096E-08 -2.4299266E-08 5.5675429E-09 3 5.0677109E+06 1.0037191E-06 -5.2257175E-07 2.5812284E-07 -9.9592147E-08 2.2807244E-08 4 1.7164343E+06 3.7354780E-06 -1.9453715E-06 9.5868459E-07 -3.6890764E-07 8.4517224E-08 5 6.1777787E+05 1.3540289E-05 -7.0652160E-06 3.4902492E-06 -1.3461932E-06 3.0831252E-07 6 2.3405955E+05 4.8066620E-05 -2.5111527E-05 1.2387883E-05 -4.7692715E-06 1.0926123E-06 7 9.2800345E+04 1.6866999E-04 -8.8340547E-05 4.3669119E-05 -1.6842154E-05 3.8575214E-06 8 3.8418330E+04 5.8091064E-04 -3.0492457E-04 1.5061816E-04 -5.8012822E-05 1.3290377E-05 9 1.6614372E+04 1.9365613E-03 -1.0204486E-03 5.0508861E-04 -1.9483057E-04 4.4626694E-05 10 7.5084764E+03 6.1301518E-03 -3.2473603E-03 1.6076815E-03 -6.1957929E-04 1.4194756E-04 11 3.5413341E+03 1.8059340E-02 -9.6643130E-03 4.8009168E-03 -1.8532399E-03 4.2453750E-04 12 1.7382606E+03 4.8266499E-02 -2.6289016E-02 1.3102157E-02 -5.0567119E-03 1.1587111E-03 13 8.8452069E+02 1.1276765E-01 -6.3294671E-02 3.1810034E-02 -1.2310719E-02 2.8209592E-03 14 4.6403513E+02 2.1702186E-01 -1.2706065E-01 6.4462485E-02 -2.4971108E-02 5.7248671E-03 15 2.4974630E+02 3.1381278E-01 -1.9241844E-01 9.9078483E-02 -3.8567534E-02 8.8424592E-03 16 1.3710068E+02 2.9058663E-01 -1.5289491E-01 7.3527956E-02 -2.8026212E-02 6.4168020E-03 17 7.6326436E+01 1.3888154E-01 1.0085327E-01 -8.7538492E-02 3.7149870E-02 -8.6247761E-03 18 4.3285764E+01 2.4437164E-02 4.2759714E-01 -3.4133499E-01 1.4651258E-01 -3.3973755E-02 19 2.5017090E+01 1.6164483E-03 4.2420292E-01 -3.4073003E-01 1.4266600E-01 -3.3036818E-02 20 1.4417902E+01 -2.8638850E-04 1.6604347E-01 1.1086459E-01 -7.8028450E-02 1.9112845E-02 21 8.1248927E+00 7.6455286E-05 2.1890999E-02 5.3964366E-01 -3.2424862E-01 7.8326716E-02 22 4.5904468E+00 -1.3029741E-04 1.2592791E-03 4.4502057E-01 -3.1008104E-01 7.6845319E-02 23 2.5389400E+00 6.6828189E-05 1.1354947E-04 1.2187641E-01 1.0397105E-01 -3.5121574E-02 24 1.3883217E+00 -3.7397470E-05 -3.9191328E-05 8.5570650E-03 4.8466498E-01 -1.4426400E-01 25 7.4380647E-01 2.2928680E-05 -2.3335875E-05 1.3064947E-03 4.4163944E-01 -1.5423080E-01 26 3.8824218E-01 -1.0078270E-05 -3.0021160E-06 -1.5493997E-04 1.7431056E-01 -3.7980378E-02 27 1.7730746E-01 4.8460343E-06 -2.7879645E-06 1.0196081E-04 2.3417304E-02 2.0634391E-01 28 8.3178046E-02 -2.5095766E-06 9.9535444E-07 -5.8645393E-05 3.4893961E-04 4.3693312E-01 29 3.8896432E-02 1.1402329E-06 -3.5074240E-07 2.2198676E-05 8.1728341E-04 4.0529477E-01 30 1.8072660E-02 -3.2913138E-07 1.4708616E-07 -7.4004073E-06 -1.0111250E-04 1.0769130E-01 3d- 4d- 5d- 1 6.4611894E+04 3.2483453E-05 -1.6552884E-05 4.7169683E-06 2 1.5520560E+04 1.6468622E-04 -8.3945553E-05 2.3932383E-05 3 5.1673228E+03 7.3064332E-04 -3.7365220E-04 1.0652341E-04 4 2.0574349E+03 3.0211012E-03 -1.5483714E-03 4.4188130E-04 5 9.2067122E+02 1.1334662E-02 -5.8524677E-03 1.6711417E-03 6 4.4658166E+02 3.6515338E-02 -1.8996790E-02 5.4352021E-03 7 2.2900269E+02 9.7474937E-02 -5.1602803E-02 1.4798180E-02 8 1.2241111E+02 2.0459552E-01 -1.0925638E-01 3.1397706E-02 9 6.7154203E+01 3.1490095E-01 -1.6434218E-01 4.7009781E-02 10 3.7589144E+01 3.2003130E-01 -1.3332992E-01 3.6022336E-02 11 2.1169241E+01 1.7950999E-01 8.3012994E-02 -3.6224817E-02 12 1.1804259E+01 4.5830679E-02 3.5251423E-01 -1.2376918E-01 13 6.5005834E+00 4.1300391E-03 4.2215764E-01 -1.4677944E-01 14 3.5230532E+00 5.1407715E-04 2.3615154E-01 -2.1486362E-02 15 1.8394438E+00 1.1942498E-05 5.2664513E-02 2.1875617E-01 16 9.2489216E-01 1.9876305E-05 3.3776515E-03 3.7799854E-01 17 4.4573515E-01 -1.5550965E-05 6.2376942E-04 3.5952083E-01 18 2.0390409E-01 5.6776859E-07 6.9149136E-05 2.1597201E-01 19 8.6705035E-02 -2.0246109E-06 6.0814940E-05 5.8728308E-02 3d+ 4d+ 5d+ 1 6.4611894E+04 3.4062726E-06 -1.7385608E-06 4.8120241E-07 2 1.5520560E+04 4.3424173E-05 -2.2099060E-05 6.1261446E-06 3 5.1673228E+03 3.4038665E-04 -1.7397663E-04 4.8194023E-05 4 2.0574349E+03 1.9529620E-03 -9.9912063E-04 2.7711189E-04 5 9.2067122E+02 8.7766265E-03 -4.5229570E-03 1.2549153E-03 6 4.4658166E+02 3.1364320E-02 -1.6281083E-02 4.5261573E-03 7 2.2900269E+02 8.9000875E-02 -4.7017320E-02 1.3100720E-02 8 1.2241111E+02 1.9453721E-01 -1.0391311E-01 2.9025195E-02 9 6.7154203E+01 3.1022953E-01 -1.6283413E-01 4.5326197E-02 10 3.7589144E+01 3.2752768E-01 -1.4266532E-01 3.7982421E-02 11 2.1169241E+01 1.9194128E-01 6.2336653E-02 -2.8317309E-02 12 1.1804259E+01 5.1769770E-02 3.3676870E-01 -1.1489625E-01 13 6.5005834E+00 4.9184194E-03 4.2825681E-01 -1.4535353E-01 14 3.5230532E+00 5.9894526E-04 2.5384448E-01 -3.5870340E-02 15 1.8394438E+00 1.7959167E-05 6.0623950E-02 1.9450643E-01 16 9.2489216E-01 2.5600248E-05 4.1271026E-03 3.6382075E-01 17 4.4573515E-01 -1.8117175E-05 7.3881982E-04 3.6766816E-01 18 2.0390409E-01 9.9816041E-07 8.2750642E-05 2.3885557E-01 19 8.6705035E-02 -2.6030057E-06 8.2019092E-05 7.7553435E-02 4f- 1 1.4337109E+03 1.2307943E-04 2 4.8606544E+02 1.1191513E-03 3 2.0726353E+02 6.4652246E-03 4 9.9496776E+01 2.6176119E-02 5 5.0854312E+01 7.5697701E-02 6 2.6973264E+01 1.6726398E-01 7 1.4533542E+01 2.6876359E-01 8 7.7292504E+00 3.2308889E-01 9 3.9738344E+00 2.8528484E-01 10 1.9067697E+00 1.5994441E-01 11 8.0900327E-01 3.9085557E-02 12 3.1790680E-01 1.5305065E-03 4f+ 1 1.4337109E+03 8.5420778E-05 2 4.8606544E+02 9.5112340E-04 3 2.0726353E+02 5.8914319E-03 4 9.9496776E+01 2.4694504E-02 5 5.0854312E+01 7.3062190E-02 6 2.6973264E+01 1.6323773E-01 7 1.4533542E+01 2.6485444E-01 8 7.7292504E+00 3.2296867E-01 9 3.9738344E+00 2.8941785E-01 10 1.9067697E+00 1.6571694E-01 11 8.0900327E-01 4.2223222E-02 12 3.1790680E-01 1.8997485E-03 Small component functions ------------------------- 1s+ 2s+ 3s+ 4s+ 5s+ 6s+ 1 6.2632457E+07 -2.0291528E-04 7.7877173E-05 -3.7156900E-05 1.8440984E-05 7.8014575E-06 2.2575760E-06 2 1.6668377E+07 -6.8860717E-04 2.6430589E-04 -1.2611306E-04 6.2586698E-05 2.6477404E-05 7.6620554E-06 3 5.7097097E+06 -1.3066403E-03 5.0179973E-04 -2.3944176E-04 1.1884031E-04 5.0275643E-05 1.4548681E-05 4 2.1773440E+06 -2.3616508E-03 9.0753128E-04 -4.3312103E-04 2.1495027E-04 9.0936234E-05 2.6315366E-05 5 9.0923239E+05 -3.8930012E-03 1.4977157E-03 -7.1485207E-04 3.5483637E-04 1.5011651E-04 4.3440362E-05 6 4.0171747E+05 -6.3271412E-03 2.4381773E-03 -1.1642146E-03 5.7781901E-04 2.4445770E-04 7.0742547E-05 7 1.8624645E+05 -9.8747809E-03 3.8164907E-03 -1.8229627E-03 9.0509756E-04 3.8292548E-04 1.1081013E-04 8 8.9430094E+04 -1.5169462E-02 5.8907121E-03 -2.8166646E-03 1.3983318E-03 5.9163943E-04 1.7121538E-04 9 4.4243040E+04 -2.2600354E-02 8.8510594E-03 -4.2373957E-03 2.1051891E-03 8.9077279E-04 2.5777324E-04 10 2.2422615E+04 -3.2711510E-02 1.2997268E-02 -6.2403848E-03 3.1008765E-03 1.3123078E-03 3.7978884E-04 11 1.1615563E+04 -4.5106063E-02 1.8385839E-02 -8.8648100E-03 4.4123005E-03 1.8677534E-03 5.4052264E-04 12 6.1392268E+03 -5.8107222E-02 2.4742257E-02 -1.2030813E-02 5.9957179E-03 2.5392935E-03 7.3498469E-04 13 3.3077591E+03 -6.7030864E-02 3.0738404E-02 -1.5144125E-02 7.5798405E-03 3.2126381E-03 9.2989068E-04 14 1.8165542E+03 -6.4819835E-02 3.3357148E-02 -1.6824555E-02 8.4562395E-03 3.5890754E-03 1.0392532E-03 15 1.0177194E+03 -4.7050914E-02 2.7770604E-02 -1.4403167E-02 7.3124131E-03 3.1088077E-03 9.0015088E-04 16 5.8277457E+02 -2.1862973E-02 1.0533205E-02 -5.2873018E-03 2.6294316E-03 1.1154534E-03 3.2326465E-04 17 3.4258918E+02 -5.1661213E-03 -1.3430846E-02 1.0110686E-02 -5.5292696E-03 -2.3982266E-03 -6.9738885E-04 18 2.0843540E+02 -5.1040494E-04 -2.9930321E-02 2.5183599E-02 -1.4523940E-02 -6.3618824E-03 -1.8503221E-03 19 1.2897151E+02 -1.1333453E-05 -2.8485439E-02 3.0146926E-02 -1.8111080E-02 -8.0279272E-03 -2.3420457E-03 20 7.9127728E+01 -9.0155536E-06 -1.4428545E-02 1.5567957E-02 -1.0233882E-02 -4.6563673E-03 -1.3615019E-03 21 4.6130893E+01 9.7568081E-06 -2.7522536E-03 -1.2360820E-02 1.1428217E-02 5.5832577E-03 1.6509223E-03 22 2.8962076E+01 -6.6822521E-06 6.4300357E-05 -2.1232691E-02 2.4730876E-02 1.3074678E-02 3.9276443E-03 23 1.8419384E+01 6.0114140E-06 -1.0736746E-04 -9.8795558E-03 1.3923645E-02 7.1650510E-03 2.1237351E-03 24 1.2319509E+01 -3.7741960E-06 4.8280623E-05 -2.5622352E-03 -2.8581750E-03 -1.9437211E-03 -5.6889701E-04 25 7.2638879E+00 1.6031652E-06 -1.3065337E-05 -3.1748410E-04 -1.2959819E-02 -1.0553122E-02 -3.4364791E-03 26 4.2595464E+00 -8.5849656E-07 6.2441235E-06 8.3324326E-06 -7.3288446E-03 -8.8806587E-03 -3.1194421E-03 27 2.3131504E+00 5.0470739E-07 -2.7077711E-06 -9.0295611E-06 -9.4978380E-04 8.1437854E-04 4.5037150E-04 28 1.3863194E+00 -3.4630682E-07 1.4437093E-06 4.9782516E-06 2.6369520E-05 4.9564467E-03 2.2773979E-03 29 8.0618429E-01 1.9570572E-07 -6.7183856E-07 -1.5896011E-06 -2.0722025E-05 2.9246846E-03 1.8134396E-03 30 4.6660701E-01 -8.9825256E-08 2.3811196E-07 6.3923331E-07 3.7304153E-06 7.3125015E-04 6.2151449E-04 31 2.2410950E-01 3.6140322E-08 -7.0683962E-08 -1.4916898E-07 -1.1518987E-06 4.8000648E-05 -5.5508830E-04 32 1.1629622E-01 -1.8885687E-08 2.8066304E-08 4.7143259E-08 4.1055652E-07 3.5459617E-07 -1.0415708E-03 33 5.8734264E-02 7.8061886E-09 -8.5477916E-09 -1.2262863E-08 -8.4533654E-08 2.4272534E-06 -7.0078634E-04 34 2.9002058E-02 -1.9981239E-09 1.6795586E-09 6.6866778E-10 2.0709296E-08 1.8481599E-07 -1.2713951E-04 2p- 3p- 4p- 5p- 6p- 1 5.6087813E+07 -7.1450036E-06 3.6095663E-06 -1.7766139E-06 7.0213550E-07 -1.6898234E-07 2 1.6153892E+07 -2.4623403E-05 1.2444286E-05 -6.1244676E-06 2.4195010E-06 -5.8241173E-07 3 5.0677109E+06 -5.7882319E-05 2.9269591E-05 -1.4409684E-05 5.6952030E-06 -1.3706603E-06 4 1.7164343E+06 -1.2122528E-04 6.1356903E-05 -3.0206604E-05 1.1933511E-05 -2.8726857E-06 5 6.1777787E+05 -2.4325515E-04 1.2328274E-04 -6.0726464E-05 2.4005503E-05 -5.7772971E-06 6 2.3405955E+05 -4.8015964E-04 2.4380835E-04 -1.2011532E-04 4.7457919E-05 -1.1424846E-05 7 9.2800345E+04 -9.4426965E-04 4.8067545E-04 -2.3701850E-04 9.3720750E-05 -2.2555460E-05 8 3.8418330E+04 -1.8522062E-03 9.4607871E-04 -4.6673030E-04 1.8445414E-04 -4.4407472E-05 9 1.6614372E+04 -3.6018556E-03 1.8483393E-03 -9.1313122E-04 3.6122935E-04 -8.6938917E-05 10 7.5084764E+03 -6.8573145E-03 3.5437084E-03 -1.7529576E-03 6.9316261E-04 -1.6689591E-04 11 3.5413341E+03 -1.2541490E-02 6.5556804E-03 -3.2528568E-03 1.2881174E-03 -3.1004831E-04 12 1.7382606E+03 -2.1396980E-02 1.1407059E-02 -5.6842975E-03 2.2511815E-03 -5.4216452E-04 13 8.8452069E+02 -3.2524399E-02 1.7887205E-02 -8.9849131E-03 3.5681649E-03 -8.5909278E-04 14 4.6403513E+02 -4.1058980E-02 2.3520087E-02 -1.1929691E-02 4.7418440E-03 -1.1427701E-03 15 2.4974630E+02 -3.8658491E-02 2.2573949E-02 -1.1525453E-02 4.5975981E-03 -1.1069796E-03 16 1.3710068E+02 -2.2525509E-02 8.2841594E-03 -3.2784665E-03 1.2022558E-03 -2.8797185E-04 17 7.6326436E+01 -6.1211800E-03 -1.3948371E-02 1.0799491E-02 -4.6549494E-03 1.1358847E-03 18 4.3285764E+01 -2.5419566E-04 -2.4637261E-02 1.9774644E-02 -8.7701383E-03 2.1383675E-03 19 2.5017090E+01 2.2803932E-04 -1.4736142E-02 1.0511388E-02 -4.2934553E-03 1.0414922E-03 20 1.4417902E+01 1.8566236E-04 -3.4496822E-03 -7.4641527E-03 4.7485991E-03 -1.2165234E-03 21 8.1248927E+00 1.1700754E-04 -2.4873020E-04 -1.3204940E-02 8.4232853E-03 -2.1538411E-03 22 4.5904468E+00 7.9420564E-05 -1.8759930E-05 -6.2900650E-03 4.1591286E-03 -1.0866432E-03 23 2.5389400E+00 5.0468121E-05 1.1906284E-07 -9.5258591E-04 -2.9730023E-03 1.0057299E-03 24 1.3883217E+00 3.4733220E-05 -1.2015517E-06 -2.6231835E-05 -5.0513298E-03 1.6328455E-03 25 7.4380647E-01 2.0242969E-05 2.0738675E-08 -2.4287329E-06 -2.6486348E-03 1.0126223E-03 26 3.8824218E-01 1.6106455E-05 -3.9786040E-07 3.4173542E-06 -5.5480410E-04 -1.3777493E-04 27 1.7730746E-01 8.2557798E-06 -1.2576896E-07 1.1103898E-06 -3.7873625E-05 -1.0093364E-03 28 8.3178046E-02 6.3967496E-06 -1.3352348E-07 1.1511091E-06 -1.3139033E-06 -1.0808927E-03 29 3.8896432E-02 9.0297412E-07 -1.5025040E-08 1.2171884E-07 -5.7090823E-07 -5.2164426E-04 30 1.8072660E-02 3.6579850E-06 -7.0794984E-08 6.0505235E-07 -5.6752899E-08 -5.8135673E-05 2p+ 3p+ 4p+ 5p+ 6p+ 1 5.6087813E+07 -1.1001161E-07 5.7345904E-08 -2.8586668E-08 1.1139078E-08 -2.5471227E-09 2 1.6153892E+07 -5.5439460E-07 2.8746393E-07 -1.4071923E-07 5.3793274E-08 -1.2335883E-08 3 5.0677109E+06 -2.1186707E-06 1.1025124E-06 -5.4630187E-07 2.1154207E-07 -4.8417469E-08 4 1.7164343E+06 -7.3727507E-06 3.8276294E-06 -1.8809136E-06 7.2196374E-07 -1.6545963E-07 5 6.1777787E+05 -2.4022160E-05 1.2494319E-05 -6.1756153E-06 2.3850028E-06 -5.4609473E-07 6 2.3405955E+05 -7.3715162E-05 3.8306994E-05 -1.8858912E-05 7.2522376E-06 -1.6616143E-06 7 9.2800345E+04 -2.1415779E-04 1.1145300E-04 -5.5037618E-05 2.1230831E-05 -4.8621305E-06 8 3.8418330E+04 -5.8604117E-04 3.0518064E-04 -1.5042344E-04 5.7897293E-05 -1.3263858E-05 9 1.6614372E+04 -1.5013352E-03 7.8418555E-04 -3.8741171E-04 1.4939860E-04 -3.4217580E-05 10 7.5084764E+03 -3.5677472E-03 1.8721543E-03 -9.2472656E-04 3.5617278E-04 -8.1596788E-05 11 3.5413341E+03 -7.7863449E-03 4.1272281E-03 -2.0458697E-03 7.8941779E-04 -1.8082659E-04 12 1.7382606E+03 -1.5334763E-02 8.2743704E-03 -4.1148509E-03 1.5873180E-03 -3.6370448E-04 13 8.8452069E+02 -2.6404730E-02 1.4692291E-02 -7.3696794E-03 2.8510051E-03 -6.5326297E-04 14 4.6403513E+02 -3.7554197E-02 2.1816975E-02 -1.1049635E-02 4.2787481E-03 -9.8090322E-04 15 2.4974630E+02 -4.0340312E-02 2.4577759E-02 -1.2640205E-02 4.9192004E-03 -1.1278017E-03 16 1.3710068E+02 -2.7879059E-02 1.4631337E-02 -7.0435894E-03 2.6857211E-03 -6.1494172E-04 17 7.6326436E+01 -9.9759216E-03 -7.0890487E-03 6.1549326E-03 -2.6115998E-03 6.0631326E-04 18 4.3285764E+01 -1.3250287E-03 -2.2921679E-02 1.8268757E-02 -7.8392868E-03 1.8177317E-03 19 2.5017090E+01 -6.5923346E-05 -1.7334091E-02 1.3909458E-02 -5.8241037E-03 1.3486862E-03 20 1.4417902E+01 8.5539059E-06 -5.1532537E-03 -3.4226176E-03 2.4096133E-03 -5.9024191E-04 21 8.1248927E+00 -1.5560410E-06 -5.1076380E-04 -1.2547800E-02 7.5368537E-03 -1.8205576E-03 22 4.5904468E+00 2.1364955E-06 -2.1664234E-05 -7.7819443E-03 5.4207328E-03 -1.3433639E-03 23 2.5389400E+00 -7.8097756E-07 -1.6979530E-06 -1.5849173E-03 -1.3509738E-03 4.5635667E-04 24 1.3883217E+00 3.0695506E-07 5.0455800E-07 -8.2399192E-05 -4.6590511E-03 1.3867445E-03 25 7.4380647E-01 -1.3242679E-07 9.5786291E-08 -9.1391996E-06 -3.1076781E-03 1.0852281E-03 26 3.8824218E-01 3.7207018E-08 4.7903578E-08 7.6109629E-07 -8.8615821E-04 1.9308712E-04 27 1.7730746E-01 -1.0224574E-08 -5.1597375E-09 -3.3821349E-07 -8.0456227E-05 -7.0887660E-04 28 8.3178046E-02 2.4500880E-09 5.5118891E-09 1.3154300E-07 -8.1889628E-07 -1.0281096E-03 29 3.8896432E-02 -1.9100459E-10 -3.1484820E-09 -3.2659797E-08 -1.3160976E-06 -6.5214882E-04 30 1.8072660E-02 -1.5309295E-10 9.9464452E-10 7.1622639E-09 1.1121474E-07 -1.1811733E-04 3d- 4d- 5d- 1 6.4611894E+04 -1.1615339E-05 5.9347935E-06 -1.6907484E-06 2 1.5520560E+04 -6.7155164E-05 3.4245557E-05 -9.7682263E-06 3 5.1673228E+03 -2.8473475E-04 1.4581082E-04 -4.1568580E-05 4 2.0574349E+03 -9.8600367E-04 5.0549152E-04 -1.4428259E-04 5 9.2067122E+02 -2.8625226E-03 1.4784958E-03 -4.2217722E-04 6 4.4658166E+02 -6.9139510E-03 3.5973141E-03 -1.0292785E-03 7 2.2900269E+02 -1.3710649E-02 7.2595596E-03 -2.0818546E-03 8 1.2241111E+02 -2.1430638E-02 1.1450211E-02 -3.2908463E-03 9 6.7154203E+01 -2.4660826E-02 1.2882210E-02 -3.6854948E-03 10 3.7589144E+01 -1.8830540E-02 7.8624854E-03 -2.1256262E-03 11 2.1169241E+01 -7.9233470E-03 -3.6709862E-03 1.6018069E-03 12 1.1804259E+01 -1.4926828E-03 -1.1676480E-02 4.0993399E-03 13 6.5005834E+00 -8.7261311E-05 -1.0383881E-02 3.6106877E-03 14 3.5230532E+00 -2.2926263E-06 -4.2762923E-03 3.8983062E-04 15 1.8394438E+00 3.2131811E-06 -6.8790972E-04 -2.8633388E-03 16 9.2489216E-01 1.2816820E-06 -3.0609789E-05 -3.5089072E-03 17 4.4573515E-01 7.6948381E-07 -3.6639733E-06 -2.3169498E-03 18 2.0390409E-01 2.2354292E-07 -1.8565691E-07 -9.4139216E-04 19 8.6705035E-02 1.4315704E-07 -1.0016468E-07 -1.6690473E-04 3d+ 4d+ 5d+ 1 6.4611894E+04 -4.5963482E-06 2.3455156E-06 -6.4871760E-07 2 1.5520560E+04 -3.7996425E-05 1.9291500E-05 -5.3470686E-06 3 5.1673228E+03 -1.9801615E-04 1.0101669E-04 -2.7971583E-05 4 2.0574349E+03 -7.7415676E-04 3.9520201E-04 -1.0957706E-04 5 9.2067122E+02 -2.4315531E-03 1.2506414E-03 -3.4687773E-04 6 4.4658166E+02 -6.2050165E-03 3.2151452E-03 -8.9355568E-04 7 2.2900269E+02 -1.2797031E-02 6.7494396E-03 -1.8801305E-03 8 1.2241111E+02 -2.0627270E-02 1.1003052E-02 -3.0727454E-03 9 6.7154203E+01 -2.4472927E-02 1.2832297E-02 -3.5714429E-03 10 3.7589144E+01 -1.9383112E-02 8.4419691E-03 -2.2479366E-03 11 2.1169241E+01 -8.5353233E-03 -2.7548806E-03 1.2525932E-03 12 1.1804259E+01 -1.7197990E-03 -1.1162243E-02 3.8075495E-03 13 6.5005834E+00 -1.2123428E-04 -1.0540215E-02 3.5768179E-03 14 3.5230532E+00 -1.0865139E-05 -4.6004730E-03 6.5035526E-04 15 1.8394438E+00 -2.3169612E-07 -7.9391308E-04 -2.5462883E-03 16 9.2489216E-01 -2.3941825E-07 -3.8332698E-05 -3.3775768E-03 17 4.4573515E-01 1.1754269E-07 -4.7580763E-06 -2.3696147E-03 18 2.0390409E-01 -4.6521438E-09 -3.6235038E-07 -1.0412001E-03 19 8.6705035E-02 7.4850125E-09 -2.3264279E-07 -2.2045046E-04 4f- 1 1.4337109E+03 -3.8557106E-05 2 4.8606544E+02 -2.4386708E-04 3 2.0726353E+02 -9.7363531E-04 4 9.9496776E+01 -2.7985181E-03 5 5.0854312E+01 -5.8495763E-03 6 2.6973264E+01 -9.4606492E-03 7 1.4533542E+01 -1.1186698E-02 8 7.7292504E+00 -9.8191595E-03 9 3.9738344E+00 -6.2202886E-03 10 1.9067697E+00 -2.4161159E-03 11 8.0900327E-01 -3.8444291E-04 12 3.1790680E-01 -9.3555434E-06 4f+ 1 1.4337109E+03 -3.2486785E-05 2 4.8606544E+02 -2.2063095E-04 3 2.0726353E+02 -9.1055536E-04 4 9.9496776E+01 -2.6708532E-03 5 5.0854312E+01 -5.6760500E-03 6 2.6973264E+01 -9.2606387E-03 7 1.4533542E+01 -1.1042551E-02 8 7.7292504E+00 -9.8250833E-03 9 3.9738344E+00 -6.3147485E-03 10 1.9067697E+00 -2.5048595E-03 11 8.0900327E-01 -4.1572951E-04 12 3.1790680E-01 -1.1724429E-05 ** Pt 195 ** Large component functions ------------------------- 1s+ 2s+ 3s+ 4s+ 5s+ 6s+ 1 6.2378099E+07 1.7603344E-04 -6.8046691E-05 3.2536437E-05 1.6202821E-05 6.9325193E-06 -2.0115576E-06 2 1.6610117E+07 4.1588132E-04 -1.6134193E-04 7.7190822E-05 3.8445444E-05 1.6449749E-05 -4.7731202E-06 3 5.6965785E+06 8.2608686E-04 -3.2175206E-04 1.5403317E-04 7.6729912E-05 3.2831919E-05 -9.5267150E-06 4 2.1756024E+06 1.4996584E-03 -5.8767967E-04 2.8162075E-04 1.4031712E-04 6.0043336E-05 -1.7422635E-05 5 9.0970019E+05 2.6866641E-03 -1.0602791E-03 5.0865794E-04 2.5351325E-04 1.0848907E-04 -3.1480575E-05 6 4.0237922E+05 4.7296857E-03 -1.8839587E-03 9.0517056E-04 4.5127631E-04 1.9313460E-04 -5.6042590E-05 7 1.8686049E+05 8.3495011E-03 -3.3611437E-03 1.6175528E-03 8.0680955E-04 3.4533240E-04 -1.0020956E-04 8 8.9836786E+04 1.4792717E-02 -6.0321833E-03 2.9091434E-03 1.4516350E-03 6.2139173E-04 -1.8031674E-04 9 4.4412747E+04 2.6358185E-02 -1.0916801E-02 5.2777524E-03 2.6354477E-03 1.1283374E-03 -3.2744109E-04 10 2.2441780E+04 4.6653319E-02 -1.9726482E-02 9.5707248E-03 4.7824274E-03 2.0478689E-03 -5.9428259E-04 11 1.1580965E+04 8.0364654E-02 -3.5013392E-02 1.7072663E-02 8.5434691E-03 3.6596690E-03 -1.0621295E-03 12 6.1019949E+03 1.3086964E-01 -5.9749066E-02 2.9381609E-02 1.4728965E-02 6.3118834E-03 -1.8318826E-03 13 3.2811068E+03 1.9272547E-01 -9.4887229E-02 4.7295481E-02 2.3798784E-02 1.0208008E-02 -2.9633494E-03 14 1.7987943E+03 2.3839944E-01 -1.3160086E-01 6.7077718E-02 3.3916457E-02 1.4564344E-02 -4.2281962E-03 15 1.0055354E+03 2.2001601E-01 -1.3731345E-01 7.1767838E-02 3.6570594E-02 1.5734319E-02 -4.5705216E-03 16 5.7394387E+02 1.2724640E-01 -5.4011396E-02 2.5181197E-02 1.2329864E-02 5.2500510E-03 -1.5201027E-03 17 3.3555893E+02 3.5861079E-02 1.4531978E-01 -1.1081306E-01 -6.1421342E-02 -2.6955865E-02 7.8495707E-03 18 2.0344160E+02 3.8170416E-03 3.4722011E-01 -3.0391260E-01 -1.7700907E-01 -7.8677216E-02 2.2983698E-02 19 1.2691635E+02 1.9234986E-04 3.7539713E-01 -4.0813798E-01 -2.4843325E-01 -1.1147867E-01 3.2579465E-02 20 7.9359993E+01 3.9329043E-05 2.2977537E-01 -2.4554944E-01 -1.6220048E-01 -7.5249142E-02 2.2168216E-02 21 4.7803711E+01 -9.0950174E-05 5.7454388E-02 2.9517126E-01 2.7241456E-01 1.3588023E-01 -4.0521215E-02 22 2.9780005E+01 2.8860395E-05 1.4271867E-03 6.4343996E-01 7.6589334E-01 4.0856405E-01 -1.2281067E-01 23 1.8271802E+01 -3.9789339E-05 1.6235239E-03 3.8439683E-01 5.0717215E-01 2.6625584E-01 -7.9976986E-02 24 1.1249627E+01 3.3726459E-05 -1.0197490E-03 8.1771374E-02 -2.7807432E-01 -1.9242509E-01 5.9172771E-02 25 6.9501429E+00 -1.9118919E-05 4.7740358E-04 8.5803146E-03 -7.3284435E-01 -6.3921718E-01 2.1193517E-01 26 4.2935494E+00 1.4416601E-05 -3.5701905E-04 3.8920308E-04 -4.6631372E-01 -6.0694891E-01 2.1720335E-01 27 2.5603157E+00 -8.0109054E-06 1.8771891E-04 3.6162684E-04 -9.8228376E-02 7.8742499E-02 -4.6247963E-02 28 1.5006061E+00 4.0141340E-06 -9.1139102E-05 -2.7202934E-04 -3.6969824E-03 6.7311042E-01 -3.1233142E-01 29 8.5208386E-01 -2.1546753E-06 4.9332198E-05 5.3181762E-05 -1.6583807E-03 5.5753736E-01 -3.4386393E-01 30 4.6593475E-01 9.0393657E-07 -2.0307666E-05 -5.0653424E-05 1.4736954E-04 1.5264918E-01 -1.2809204E-01 31 2.2835045E-01 -3.9982665E-07 9.0078872E-06 1.7712377E-05 -1.5013011E-04 9.7381205E-03 2.2666207E-01 32 1.1429192E-01 1.9949790E-07 -4.5445473E-06 -8.0013299E-06 8.0733843E-05 1.7449066E-03 5.0582956E-01 33 5.7390836E-02 -8.0822333E-08 1.7792403E-06 4.6913344E-06 -1.5079082E-05 9.1015137E-04 4.2093411E-01 34 2.8637438E-02 2.0000829E-08 -4.6007077E-07 -7.0108974E-07 9.4867640E-06 2.3585064E-04 9.4465754E-02 2p- 3p- 4p- 5p- 6p- 1 5.6847512E+07 2.2789583E-05 -1.1532568E-05 5.6982909E-06 -2.2835189E-06 5.4689762E-07 2 1.6555699E+07 7.5062874E-05 -3.7986169E-05 1.8769086E-05 -7.5213498E-06 1.8013596E-06 3 5.2359572E+06 1.6795815E-04 -8.5005269E-05 4.2002778E-05 -1.6832259E-05 4.0312860E-06 4 1.7839641E+06 3.3949791E-04 -1.7185365E-04 8.4918676E-05 -3.4029716E-05 8.1501455E-06 5 6.4482116E+05 6.5472808E-04 -3.3153434E-04 1.6383851E-04 -6.5659709E-05 1.5725301E-05 6 2.4514211E+05 1.2355357E-03 -6.2606626E-04 3.0943116E-04 -1.2400257E-04 2.9699255E-05 7 9.7475601E+04 2.3198532E-03 -1.1770824E-03 5.8198185E-04 -2.3326940E-04 5.5867122E-05 8 4.0432196E+04 4.4074856E-03 -2.2421957E-03 1.1091973E-03 -4.4456500E-04 1.0648157E-04 9 1.7491403E+04 8.6142855E-03 -4.4026338E-03 2.1805969E-03 -8.7444699E-04 2.0942887E-04 10 7.8991940E+03 1.7490335E-02 -9.0095549E-03 4.4698405E-03 -1.7924381E-03 4.2938395E-04 11 3.7228512E+03 3.6607024E-02 -1.9094472E-02 9.5037758E-03 -3.8158722E-03 9.1396872E-04 12 1.8261078E+03 7.6284399E-02 -4.0610551E-02 2.0304968E-02 -8.1551939E-03 1.9542124E-03 13 9.2840132E+02 1.4840544E-01 -8.1459824E-02 4.1051015E-02 -1.6531964E-02 3.9607922E-03 14 4.8658729E+02 2.4666418E-01 -1.4080456E-01 7.1628132E-02 -2.8870434E-02 6.9229317E-03 15 2.6166269E+02 3.1091468E-01 -1.8038366E-01 9.2297157E-02 -3.7331511E-02 8.9444636E-03 16 1.4358357E+02 2.4702666E-01 -9.1974162E-02 3.6941523E-02 -1.3780867E-02 3.2827402E-03 17 7.9905847E+01 9.6701975E-02 1.9028376E-01 -1.4948625E-01 6.5498088E-02 -1.5913163E-02 18 4.5234049E+01 1.2745996E-02 4.5838241E-01 -3.7014519E-01 1.6677504E-01 -4.0496433E-02 19 2.6101909E+01 8.0830445E-04 3.6408044E-01 -2.6200098E-01 1.0875049E-01 -2.6247544E-02 20 1.5033503E+01 -2.2270237E-04 1.1297013E-01 2.3982167E-01 -1.5565208E-01 3.9766119E-02 21 8.4691343E+00 4.1357075E-05 1.0812101E-02 5.7231580E-01 -3.7321050E-01 9.5330112E-02 22 4.7845135E+00 -8.3611531E-05 9.6592047E-04 3.6124210E-01 -2.4151250E-01 6.2724196E-02 23 2.6400203E+00 4.0496863E-05 -9.4608666E-05 7.2056059E-02 2.4929528E-01 -8.4595550E-02 24 1.4379999E+00 -2.1019033E-05 5.1065860E-05 2.9881723E-03 5.3750878E-01 -1.7459204E-01 25 7.6620194E-01 1.3512807E-05 -6.1453849E-05 8.0307175E-04 3.6336283E-01 -1.3633524E-01 26 3.9734304E-01 -5.6648043E-06 1.8595297E-05 -1.5422015E-04 9.7053971E-02 4.2212607E-02 27 1.8131035E-01 2.8120923E-06 -1.1344352E-05 7.3244634E-05 9.1412784E-03 3.0378915E-01 28 8.4697942E-02 -1.4544434E-06 5.7764677E-06 -4.4842643E-05 4.8459969E-04 4.5546054E-01 29 3.9577815E-02 6.6336204E-07 -2.5636819E-06 1.7414421E-05 2.6503916E-04 3.1344027E-01 30 1.8381289E-02 -1.9198928E-07 7.6217901E-07 -5.5186905E-06 -2.0293184E-05 4.9992836E-02 2p+ 3p+ 4p+ 5p+ 6p+ 1 5.6847512E+07 6.1059998E-08 -3.1851632E-08 1.5813268E-08 -6.1965655E-09 1.3968239E-09 2 1.6555699E+07 2.5460551E-07 -1.3274368E-07 6.5632319E-08 -2.5604646E-08 5.7752068E-09 3 5.2359572E+06 1.0243383E-06 -5.3485011E-07 2.6540166E-07 -1.0392188E-07 2.3428656E-08 4 1.7839641E+06 3.7770473E-06 -1.9728730E-06 9.7654945E-07 -3.8130364E-07 8.5996342E-08 5 6.4482116E+05 1.3574471E-05 -7.1036787E-06 3.5252767E-06 -1.3798626E-06 3.1110779E-07 6 2.4514211E+05 4.7761392E-05 -2.5026561E-05 1.2401079E-05 -4.8446220E-06 1.0925900E-06 7 9.7475601E+04 1.6613769E-04 -8.7271548E-05 4.3337669E-05 -1.6961986E-05 3.8245309E-06 8 4.0432196E+04 5.6849162E-04 -2.9930818E-04 1.4850801E-04 -5.8043031E-05 1.3090260E-05 9 1.7491403E+04 1.8890677E-03 -9.9839368E-04 4.9642894E-04 -1.9432663E-04 4.3818862E-05 10 7.8991940E+03 5.9699167E-03 -3.1718630E-03 1.5773665E-03 -6.1686328E-04 1.3912536E-04 11 3.7228512E+03 1.7569533E-02 -9.4281664E-03 4.7048093E-03 -1.8430386E-03 4.1563422E-04 12 1.8261078E+03 4.7010389E-02 -2.5667324E-02 1.2848627E-02 -5.0320014E-03 1.1351061E-03 13 9.2840132E+02 1.1025632E-01 -6.2002373E-02 3.1296842E-02 -1.2291474E-02 2.7727752E-03 14 4.8658729E+02 2.1360777E-01 -1.2523309E-01 6.3801388E-02 -2.5079475E-02 5.6603120E-03 15 2.6166269E+02 3.1200084E-01 -1.9160009E-01 9.9088678E-02 -3.9145723E-02 8.8358851E-03 16 1.4358357E+02 2.9350786E-01 -1.5694053E-01 7.6260077E-02 -2.9538976E-02 6.6584523E-03 17 7.9905847E+01 1.4372346E-01 9.2040151E-02 -8.2302451E-02 3.5580301E-02 -8.1392538E-03 18 4.5234049E+01 2.6135046E-02 4.2411041E-01 -3.4007466E-01 1.4830217E-01 -3.3873909E-02 19 2.6101909E+01 1.6855759E-03 4.2934779E-01 -3.4775112E-01 1.4814885E-01 -3.3791366E-02 20 1.5033503E+01 -2.7174059E-04 1.7043374E-01 1.0341708E-01 -7.5835626E-02 1.8361574E-02 21 8.4691343E+00 7.0026954E-05 2.2854142E-02 5.4175141E-01 -3.3260005E-01 7.9325051E-02 22 4.7845135E+00 -1.2781305E-04 1.1969237E-03 4.4957683E-01 -3.1985967E-01 7.8194934E-02 23 2.6400203E+00 6.5736324E-05 1.3747695E-04 1.2107455E-01 1.1844736E-01 -3.9368461E-02 24 1.4379999E+00 -3.5764435E-05 -6.9399240E-05 8.0584318E-03 5.0143443E-01 -1.4824209E-01 25 7.6620194E-01 2.2332749E-05 -1.3480885E-05 1.3162235E-03 4.3509594E-01 -1.4949700E-01 26 3.9734304E-01 -9.7163523E-06 -9.5969714E-06 -1.5952130E-04 1.6025202E-01 -2.6430059E-02 27 1.8131035E-01 4.7545799E-06 -1.1565449E-07 1.0858775E-04 1.9854231E-02 2.1420180E-01 28 8.4697942E-02 -2.4677430E-06 -4.3021547E-07 -6.1053291E-05 4.9902774E-04 4.3468132E-01 29 3.9577815E-02 1.1280387E-06 3.1119640E-07 2.3599989E-05 6.1925009E-04 3.9873620E-01 30 1.8381289E-02 -3.2684480E-07 -4.1859774E-08 -7.8023269E-06 -5.7494910E-05 1.0606270E-01 3d- 4d- 5d- 1 6.8782903E+04 3.2223756E-05 -1.6538565E-05 4.8871696E-06 2 1.6486230E+04 1.6234585E-04 -8.3349912E-05 2.4641701E-05 3 5.4733773E+03 7.1470366E-04 -3.6811455E-04 1.0882564E-04 4 2.1736928E+03 2.9369988E-03 -1.5160785E-03 4.4868317E-04 5 9.7062154E+02 1.0996955E-02 -5.7183264E-03 1.6932601E-03 6 4.7004055E+02 3.5497841E-02 -1.8597589E-02 5.5181909E-03 7 2.4073543E+02 9.5204071E-02 -5.0744578E-02 1.5091415E-02 8 1.2856850E+02 2.0136171E-01 -1.0832861E-01 3.2290625E-02 9 7.0502724E+01 3.1286804E-01 -1.6470747E-01 4.8873403E-02 10 3.9458468E+01 3.2204467E-01 -1.3694207E-01 3.8479666E-02 11 2.2233244E+01 1.8371506E-01 7.6877718E-02 -3.5844119E-02 12 1.2415785E+01 4.8011825E-02 3.4947428E-01 -1.2801869E-01 13 6.8533848E+00 4.4236463E-03 4.2473368E-01 -1.5430671E-01 14 3.7296816E+00 5.1986141E-04 2.3883327E-01 -2.3182408E-02 15 1.9597861E+00 6.0859230E-06 5.3591961E-02 2.2654526E-01 16 9.9159256E-01 1.8367870E-05 3.5628644E-03 3.8384132E-01 17 4.8067665E-01 -1.7047863E-05 6.4069711E-04 3.5598022E-01 18 2.2109331E-01 2.7846180E-07 8.8965857E-05 2.0732765E-01 19 9.4413319E-02 -2.1315308E-06 5.9914537E-05 5.3893330E-02 3d+ 4d+ 5d+ 1 6.8782903E+04 3.2444518E-06 -1.6681966E-06 4.7851709E-07 2 1.6486230E+04 4.1262142E-05 -2.1156907E-05 6.0793720E-06 3 5.4733773E+03 3.2406723E-04 -1.6686559E-04 4.7908144E-05 4 2.1736928E+03 1.8658171E-03 -9.6165530E-04 2.7646453E-04 5 9.7062154E+02 8.4239925E-03 -4.3730217E-03 1.2575615E-03 6 4.7004055E+02 3.0290310E-02 -1.5838145E-02 4.5639566E-03 7 2.4073543E+02 8.6579329E-02 -4.6059584E-02 1.3302638E-02 8 1.2856850E+02 1.9099016E-01 -1.0279812E-01 2.9768671E-02 9 7.0502724E+01 3.0779694E-01 -1.6300175E-01 4.7043676E-02 10 3.9458468E+01 3.2944552E-01 -1.4632410E-01 4.0483978E-02 11 2.2233244E+01 1.9654198E-01 5.5659853E-02 -2.7482920E-02 12 1.2415785E+01 5.4324881E-02 3.3298130E-01 -1.1848869E-01 13 6.8533848E+00 5.2959265E-03 4.3074594E-01 -1.5268181E-01 14 3.7296816E+00 6.0803969E-04 2.5700518E-01 -3.8504234E-02 15 1.9597861E+00 1.2645221E-05 6.1815255E-02 2.0107289E-01 16 9.9159256E-01 2.3876148E-05 4.3661745E-03 3.6954474E-01 17 4.8067665E-01 -1.9692588E-05 7.5565031E-04 3.6514873E-01 18 2.2109331E-01 5.9360260E-07 1.0901694E-04 2.3139416E-01 19 9.4413319E-02 -2.7611453E-06 8.2242698E-05 7.2758527E-02 4f- 1 1.5152867E+03 1.2047088E-04 2 5.1293440E+02 1.0929120E-03 3 2.1862924E+02 6.3241514E-03 4 1.0494393E+02 2.5758098E-02 5 5.3685680E+01 7.4932674E-02 6 2.8511821E+01 1.6651738E-01 7 1.5399494E+01 2.6901522E-01 8 8.2234678E+00 3.2409937E-01 9 4.2572104E+00 2.8449071E-01 10 2.0640420E+00 1.5641584E-01 11 8.8882536E-01 3.7270263E-02 12 3.5215489E-01 1.5479592E-03 4f+ 1 1.5152867E+03 8.2391890E-05 2 5.1293440E+02 9.2248427E-04 3 2.1862924E+02 5.7432945E-03 4 1.0494393E+02 2.4251352E-02 5 5.3685680E+01 7.2251550E-02 6 2.8511821E+01 1.6244871E-01 7 1.5399494E+01 2.6507225E-01 8 8.2234678E+00 3.2404161E-01 9 4.2572104E+00 2.8877149E-01 10 2.0640420E+00 1.6210332E-01 11 8.8882536E-01 4.0215412E-02 12 3.5215489E-01 1.8980404E-03 Small component functions ------------------------- 1s+ 2s+ 3s+ 4s+ 5s+ 6s+ 1 6.2378099E+07 -2.1469598E-04 8.2779741E-05 -3.9564316E-05 -1.9700851E-05 -8.4290026E-06 2.4457779E-06 2 1.6610117E+07 -7.2732240E-04 2.8046006E-04 -1.3404951E-04 -6.6747837E-05 -2.8557870E-05 8.2863583E-06 3 5.6965785E+06 -1.3752905E-03 5.3061786E-04 -2.5363346E-04 -1.2629996E-04 -5.4037866E-05 1.5679799E-05 4 2.1756024E+06 -2.4784925E-03 9.5688478E-04 -4.5745246E-04 -2.2778906E-04 -9.7459649E-05 2.8278858E-05 5 9.0970019E+05 -4.0745615E-03 1.5749155E-03 -7.5302581E-04 -3.7501327E-04 -1.6045434E-04 4.6558304E-05 6 4.0237922E+05 -6.6013826E-03 2.5559321E-03 -1.2225141E-03 -6.0881187E-04 -2.6048633E-04 7.5582544E-05 7 1.8686049E+05 -1.0262816E-02 3.9853931E-03 -1.9070754E-03 -9.4994982E-04 -4.0647033E-04 1.1794532E-04 8 8.9836786E+04 -1.5743286E-02 6.1433936E-03 -2.9424948E-03 -1.4658137E-03 -6.2720910E-04 1.8199169E-04 9 4.4412747E+04 -2.3487712E-02 9.2444153E-03 -4.4340524E-03 -2.2100331E-03 -9.4578187E-04 2.7444554E-04 10 2.2441780E+04 -3.4043655E-02 1.3598777E-02 -6.5408135E-03 -3.2615572E-03 -1.3959227E-03 4.0505519E-04 11 1.1580965E+04 -4.6852075E-02 1.9210065E-02 -9.2820435E-03 -4.6349748E-03 -1.9844204E-03 5.7588406E-04 12 6.1019949E+03 -5.9973900E-02 2.5717537E-02 -1.2531705E-02 -6.2684280E-03 -2.6848469E-03 7.7914701E-04 13 3.2811068E+03 -6.8492191E-02 3.1678588E-02 -1.5652974E-02 -7.8605246E-03 -3.3699898E-03 9.7822233E-04 14 1.7987943E+03 -6.5238607E-02 3.3910992E-02 -1.7153582E-02 -8.6579295E-03 -3.7163072E-03 1.0788096E-03 15 1.0055354E+03 -4.6147911E-02 2.7323745E-02 -1.4216431E-02 -7.2372195E-03 -3.1130707E-03 9.0425416E-04 16 5.7394387E+02 -2.0490146E-02 8.6485701E-03 -4.1426260E-03 -2.0472893E-03 -8.7386635E-04 2.5315734E-04 17 3.3555893E+02 -4.4416216E-03 -1.6382443E-02 1.2332934E-02 6.8159249E-03 2.9892484E-03 -8.7035600E-04 18 2.0344160E+02 -3.7978090E-04 -3.1254926E-02 2.7069455E-02 1.5732855E-02 6.9895583E-03 -2.0416825E-03 19 1.2691635E+02 -4.7769466E-06 -2.6904444E-02 2.8993033E-02 1.7623556E-02 7.9058349E-03 -2.3103616E-03 20 7.9359993E+01 -9.9325873E-06 -1.3064945E-02 1.3919023E-02 9.1964517E-03 4.2659161E-03 -1.2566752E-03 21 4.7803711E+01 1.0068988E-05 -2.5425625E-03 -1.2820981E-02 -1.1797080E-02 -5.8798616E-03 1.7532516E-03 22 2.9780005E+01 -5.7895488E-06 -4.8061261E-05 -2.2222241E-02 -2.6390924E-02 -1.4072939E-02 4.2299780E-03 23 1.8271802E+01 4.6379159E-06 -4.5473727E-05 -1.0407159E-02 -1.3715743E-02 -7.2017149E-03 2.1632885E-03 24 1.1249627E+01 -3.3411037E-06 2.2676925E-05 -1.7402683E-03 5.8829542E-03 4.0683288E-03 -1.2508706E-03 25 6.9501429E+00 2.1502390E-06 -8.6258555E-06 -1.4195683E-04 1.2213274E-02 1.0646414E-02 -3.5295120E-03 26 4.2935494E+00 -1.3372094E-06 5.0801215E-06 -5.9231249E-06 6.1095375E-03 7.9489835E-03 -2.8445690E-03 27 2.5603157E+00 7.2553557E-07 -2.1178603E-06 -3.2051365E-06 9.9419755E-04 -7.9518944E-04 4.6710484E-04 28 1.5006061E+00 -3.7561571E-07 8.1920369E-07 1.8662625E-06 2.8509823E-05 -5.2111194E-03 2.4178044E-03 29 8.5208386E-01 1.8253544E-07 -3.4277991E-07 -1.9104229E-07 9.7417711E-06 -3.2527100E-03 2.0059718E-03 30 4.6593475E-01 -8.0225971E-08 1.1183609E-07 1.6499891E-07 -6.6457045E-07 -6.5856962E-04 5.5258836E-04 31 2.2835045E-01 3.5079285E-08 -3.7797437E-08 -2.9650774E-08 4.6618228E-07 -2.9406143E-05 -6.8449663E-04 32 1.1429192E-01 -1.7887151E-08 1.5113047E-08 4.7749800E-09 -1.7903675E-07 -3.7303884E-06 -1.0807077E-03 33 5.7390836E-02 7.8496311E-09 -5.0667776E-09 -1.6391075E-09 2.5714212E-08 -1.3769172E-06 -6.3728468E-04 34 2.8637438E-02 -2.1024526E-09 1.1275764E-09 -7.2395617E-10 -1.0920121E-08 -2.5251030E-07 -1.0102757E-04 2p- 3p- 4p- 5p- 6p- 1 5.6847512E+07 -7.5442374E-06 3.8189471E-06 -1.8872807E-06 7.5648238E-07 -1.8116050E-07 2 1.6555699E+07 -2.6023760E-05 1.3178932E-05 -6.5122480E-06 2.6092172E-06 -6.2496042E-07 3 5.2359572E+06 -6.0968181E-05 3.0892295E-05 -1.5270141E-05 6.1211358E-06 -1.4658776E-06 4 1.7839641E+06 -1.2712829E-04 6.4476626E-05 -3.1870854E-05 1.2769723E-05 -3.0587104E-06 5 6.4482116E+05 -2.5371343E-04 1.2884232E-04 -6.3722186E-05 2.5548192E-05 -6.1181571E-06 6 2.4514211E+05 -4.9749781E-04 2.5313286E-04 -1.2521397E-04 5.0174565E-05 -1.2018823E-05 7 9.7475601E+04 -9.7136090E-04 4.9546969E-04 -2.4530591E-04 9.8379020E-05 -2.3559511E-05 8 4.0432196E+04 -1.8936751E-03 9.6928566E-04 -4.8011994E-04 1.9243920E-04 -4.6099728E-05 9 1.7491403E+04 -3.6658289E-03 1.8850361E-03 -9.3505757E-04 3.7517513E-04 -8.9849352E-05 10 7.8991940E+03 -6.9498586E-03 3.5990033E-03 -1.7875462E-03 7.1687654E-04 -1.7174862E-04 11 3.7228512E+03 -1.2662581E-02 6.6314722E-03 -3.3038162E-03 1.3269603E-03 -3.1782230E-04 12 1.8261078E+03 -2.1567368E-02 1.1516552E-02 -5.7617038E-03 2.3142204E-03 -5.5458230E-04 13 9.2840132E+02 -3.2814799E-02 1.8066027E-02 -9.1102600E-03 3.6695993E-03 -8.7917231E-04 14 4.8658729E+02 -4.1575387E-02 2.3829902E-02 -1.2132214E-02 4.8906495E-03 -1.1727925E-03 15 2.6166269E+02 -3.9414756E-02 2.3036345E-02 -1.1808052E-02 4.7781156E-03 -1.1448600E-03 16 1.4358357E+02 -2.3250485E-02 8.7910599E-03 -3.5596966E-03 1.3312383E-03 -3.1724405E-04 17 7.9905847E+01 -6.4477744E-03 -1.3865370E-02 1.0830434E-02 -4.7411196E-03 1.1517668E-03 18 4.5234049E+01 -2.8167550E-04 -2.5165013E-02 2.0273258E-02 -9.1310458E-03 2.2171060E-03 19 2.6101909E+01 2.4075299E-04 -1.5210620E-02 1.0951310E-02 -4.5493793E-03 1.0981460E-03 20 1.5033503E+01 1.9595147E-04 -3.5854207E-03 -7.5499214E-03 4.9031520E-03 -1.2527616E-03 21 8.4691343E+00 1.2308193E-04 -2.5991775E-04 -1.3569935E-02 8.8502195E-03 -2.2606575E-03 22 4.7845135E+00 8.3841025E-05 -1.8510038E-05 -6.4363108E-03 4.3069910E-03 -1.1187414E-03 23 2.6400203E+00 5.3398764E-05 1.8160555E-07 -9.4673412E-04 -3.3057914E-03 1.1214916E-03 24 1.4379999E+00 3.6603052E-05 -1.0718807E-06 -2.3299074E-05 -5.2598210E-03 1.7083241E-03 25 7.6620194E-01 2.1466715E-05 2.1549355E-08 -2.1537264E-06 -2.5956803E-03 9.7381525E-04 26 3.9734304E-01 1.6761865E-05 -3.7289808E-07 3.5387960E-06 -4.9958692E-04 -2.1692703E-04 27 1.8131035E-01 8.6230875E-06 -1.2106689E-07 1.1749426E-06 -3.1979716E-05 -1.0552781E-03 28 8.4697942E-02 6.6292749E-06 -1.2621628E-07 1.1956765E-06 -1.3179695E-06 -1.0813852E-03 29 3.9577815E-02 9.4273034E-07 -1.4581713E-08 1.2889933E-07 -4.5465902E-07 -5.0873771E-04 30 1.8381289E-02 3.7811785E-06 -6.6889753E-08 6.2901425E-07 -7.3469501E-08 -5.5260118E-05 2p+ 3p+ 4p+ 5p+ 6p+ 1 5.6847512E+07 -1.1278001E-07 5.8942817E-08 -2.9537974E-08 1.1688703E-08 -2.6314511E-09 2 1.6555699E+07 -5.6602523E-07 2.9441798E-07 -1.4469903E-07 5.6101983E-08 -1.2664227E-08 3 5.2359572E+06 -2.1432810E-06 1.1184355E-06 -5.5688471E-07 2.1890170E-07 -4.9324110E-08 4 1.7839641E+06 -7.4105528E-06 3.8589278E-06 -1.9043622E-06 7.4156818E-07 -1.6730203E-07 5 6.4482116E+05 -2.4014751E-05 1.2526292E-05 -6.2203703E-06 2.4381787E-06 -5.4959118E-07 6 2.4514211E+05 -7.3349655E-05 3.8230702E-05 -1.8903756E-05 7.3758730E-06 -1.6636109E-06 7 9.7475601E+04 -2.1224402E-04 1.1077629E-04 -5.4954634E-05 2.1513760E-05 -4.8502807E-06 8 4.0432196E+04 -5.7982653E-04 3.0282903E-04 -1.4992587E-04 5.8553858E-05 -1.3205352E-05 9 1.7491403E+04 -1.4865852E-03 7.7867767E-04 -3.8643596E-04 1.5122977E-04 -3.4098085E-05 10 7.8991940E+03 -3.5372966E-03 1.8613147E-03 -9.2344575E-04 3.6091603E-04 -8.1395948E-05 11 3.7228512E+03 -7.7287555E-03 4.1070523E-03 -2.0449636E-03 8.0074326E-04 -1.8056739E-04 12 1.8261078E+03 -1.5261215E-02 8.2526825E-03 -4.1218349E-03 1.6134244E-03 -3.6393184E-04 13 9.2840132E+02 -2.6401885E-02 1.4714724E-02 -7.4127172E-03 2.9100688E-03 -6.5643058E-04 14 4.8658729E+02 -3.7815584E-02 2.1993474E-02 -1.1184954E-02 4.3949317E-03 -9.9186889E-04 15 2.6166269E+02 -4.1037075E-02 2.5034750E-02 -1.2930797E-02 5.1071297E-03 -1.1527321E-03 16 1.4358357E+02 -2.8816394E-02 1.5364193E-02 -7.4724051E-03 2.8953316E-03 -6.5267050E-04 17 7.9905847E+01 -1.0564703E-02 -6.6072974E-03 5.9130606E-03 -2.5559404E-03 5.8469390E-04 18 4.5234049E+01 -1.4489961E-03 -2.3237404E-02 1.8602709E-02 -8.1099189E-03 1.8523270E-03 19 2.6101909E+01 -7.0246206E-05 -1.7921023E-02 1.4500078E-02 -6.1773744E-03 1.4090136E-03 20 1.5033503E+01 8.2555768E-06 -5.4015486E-03 -3.2586715E-03 2.3906161E-03 -5.7884363E-04 21 8.4691343E+00 -1.4277289E-06 -5.4446988E-04 -1.2860677E-02 7.8927829E-03 -1.8823456E-03 22 4.7845135E+00 2.1329662E-06 -2.0981756E-05 -8.0262323E-03 5.7087104E-03 -1.3955677E-03 23 2.6400203E+00 -7.8056683E-07 -2.0600574E-06 -1.6055527E-03 -1.5694476E-03 5.2162955E-04 24 1.4379999E+00 2.9603701E-07 8.1459082E-07 -7.8986022E-05 -4.9057604E-03 1.4502581E-03 25 7.6620194E-01 -1.3004690E-07 2.4212300E-08 -9.3431127E-06 -3.1073965E-03 1.0676407E-03 26 3.9734304E-01 3.5637815E-08 8.3824371E-08 7.9228658E-07 -8.2418277E-04 1.3593637E-04 27 1.8131035E-01 -9.8939108E-09 -1.5294916E-08 -3.6434004E-07 -6.8980894E-05 -7.4413222E-04 28 8.4697942E-02 2.2906850E-09 9.3978128E-09 1.3805779E-07 -1.1826813E-06 -1.0321136E-03 29 3.9577815E-02 -1.2278001E-10 -4.4877426E-09 -3.5008255E-08 -1.0061730E-06 -6.4719092E-04 30 1.8381289E-02 -1.7421774E-10 1.2895113E-09 7.5986781E-09 6.3924282E-08 -1.1732016E-04 3d- 4d- 5d- 1 6.8782903E+04 -1.1510212E-05 5.9232252E-06 -1.7498005E-06 2 1.6486230E+04 -6.6265106E-05 3.4037636E-05 -1.0068538E-05 3 5.4733773E+03 -2.8070365E-04 1.4478196E-04 -4.2801455E-05 4 2.1736928E+03 -9.7291440E-04 5.0238322E-04 -1.4870678E-04 5 9.7062154E+02 -2.8318086E-03 1.4730256E-03 -4.3617955E-04 6 4.7004055E+02 -6.8702153E-03 3.5997944E-03 -1.0681670E-03 7 2.4073543E+02 -1.3703805E-02 7.3054772E-03 -2.1726699E-03 8 1.2856850E+02 -2.1594513E-02 1.1623588E-02 -3.4651205E-03 9 7.0502724E+01 -2.5092363E-02 1.3222402E-02 -3.9240860E-03 10 3.9458468E+01 -1.9409614E-02 8.2719530E-03 -2.3258930E-03 11 2.2233244E+01 -8.3092818E-03 -3.4825586E-03 1.6237024E-03 12 1.2415785E+01 -1.6039353E-03 -1.1870905E-02 4.3481495E-03 13 6.8533848E+00 -9.6390989E-05 -1.0726672E-02 3.8973811E-03 14 3.7296816E+00 -2.1575978E-06 -4.4497941E-03 4.3279186E-04 15 1.9597861E+00 3.5578421E-06 -7.2250315E-04 -3.0606969E-03 16 9.9159256E-01 1.4210363E-06 -3.3429216E-05 -3.6893590E-03 17 4.8067665E-01 8.5099413E-07 -3.8926663E-06 -2.3823390E-03 18 2.2109331E-01 2.4808028E-07 -2.7523436E-07 -9.4102661E-04 19 9.4413319E-02 1.6041387E-07 -9.5566024E-08 -1.5982057E-04 3d+ 4d+ 5d+ 1 6.8782903E+04 -4.4256913E-06 2.2750584E-06 -6.5205018E-07 2 1.6486230E+04 -3.6749876E-05 1.8798271E-05 -5.4009152E-06 3 5.4733773E+03 -1.9257961E-04 9.8966848E-05 -2.8401460E-05 4 2.1736928E+03 -7.5683835E-04 3.8921552E-04 -1.1185800E-04 5 9.7062154E+02 -2.3900354E-03 1.2382001E-03 -3.5594281E-04 6 4.7004055E+02 -6.1385939E-03 3.2036898E-03 -9.2290039E-04 7 2.4073543E+02 -1.2752879E-02 6.7730004E-03 -1.9555730E-03 8 1.2856850E+02 -2.0745378E-02 1.1149987E-02 -3.2281308E-03 9 7.0502724E+01 -2.4874210E-02 1.3158688E-02 -3.7970985E-03 10 3.9458468E+01 -1.9974327E-02 8.8701889E-03 -2.4545502E-03 11 2.2233244E+01 -8.9570749E-03 -2.5188016E-03 1.2452766E-03 12 1.2415785E+01 -1.8509126E-03 -1.1318364E-02 4.0267599E-03 13 6.8533848E+00 -1.3405969E-04 -1.0885267E-02 3.8576868E-03 14 3.7296816E+00 -1.1341984E-05 -4.7924678E-03 7.1831525E-04 15 1.9597861E+00 -1.7102650E-07 -8.3558482E-04 -2.7169732E-03 16 9.9159256E-01 -2.2950339E-07 -4.1992587E-05 -3.5522658E-03 17 4.8067665E-01 1.3176442E-07 -5.0526206E-06 -2.4438798E-03 18 2.2109331E-01 -2.6594644E-09 -4.9697921E-07 -1.0503313E-03 19 9.4413319E-02 8.1747786E-09 -2.4330183E-07 -2.1581859E-04 4f- 1 1.5152867E+03 -3.8321011E-05 2 5.1293440E+02 -2.4337055E-04 3 2.1862924E+02 -9.7581161E-04 4 1.0494393E+02 -2.8248786E-03 5 5.3685680E+01 -5.9460373E-03 6 2.8511821E+01 -9.6804595E-03 7 1.5399494E+01 -1.1524150E-02 8 8.2234678E+00 -1.0159087E-02 9 4.2572104E+00 -6.4200182E-03 10 2.0640420E+00 -2.4581912E-03 11 8.8882536E-01 -3.8419395E-04 12 3.5215489E-01 -9.9478348E-06 4f+ 1 1.5152867E+03 -3.2088528E-05 2 5.1293440E+02 -2.1939819E-04 3 2.1862924E+02 -9.1072557E-04 4 1.0494393E+02 -2.6923260E-03 5 5.3685680E+01 -5.7655676E-03 6 2.8511821E+01 -9.4737539E-03 7 1.5399494E+01 -1.1375436E-02 8 8.2234678E+00 -1.0167751E-02 9 4.2572104E+00 -6.5214287E-03 10 2.0640420E+00 -2.5493044E-03 11 8.8882536E-01 -4.1503977E-04 12 3.5215489E-01 -1.2328649E-05 ** Au 197 ** Large component functions ------------------------- 1s+ 2s+ 3s+ 4s+ 5s+ 6s+ 1 6.2091032E+07 1.8836463E-04 -7.3156059E-05 3.5038439E-05 -1.7506311E-05 7.5694330E-06 -2.1994228E-06 2 1.6531020E+07 4.4432877E-04 -1.7320182E-04 8.3005567E-05 -4.1478092E-05 1.7935069E-05 -5.2113628E-06 3 5.6666227E+06 8.8101015E-04 -3.4480983E-04 1.6535491E-04 -8.2641702E-05 3.5735462E-05 -1.0383647E-05 4 2.1625688E+06 1.5955557E-03 -6.2838271E-04 3.0164844E-04 -1.5079457E-04 6.5209745E-05 -1.8948209E-05 5 9.0428832E+05 2.8457298E-03 -1.1288182E-03 5.4249834E-04 -2.7127450E-04 1.1731758E-04 -3.4089629E-05 6 4.0047108E+05 4.9841871E-03 -1.9959718E-03 9.6071101E-04 -4.8056769E-04 2.0784989E-04 -6.0397300E-05 7 1.8613020E+05 8.7792556E-03 -3.5538049E-03 1.7134496E-03 -8.5748117E-04 3.7090204E-04 -1.0777824E-04 8 8.9401027E+04 1.5544759E-02 -6.3765918E-03 3.0810625E-03 -1.5426263E-03 6.6735185E-04 -1.9392786E-04 9 4.4116867E+04 2.7641269E-02 -1.1520614E-02 5.5808645E-03 -2.7961261E-03 1.2097874E-03 -3.5156000E-04 10 2.2257868E+04 4.8753473E-02 -2.0758736E-02 1.0092429E-02 -5.0605623E-03 2.1900425E-03 -6.3645290E-04 11 1.1466692E+04 8.3766522E-02 -3.6776725E-02 1.7973911E-02 -9.0249979E-03 3.9068185E-03 -1.1354006E-03 12 6.0232727E+03 1.3610561E-01 -6.2718073E-02 3.0919666E-02 -1.5556230E-02 6.7378536E-03 -1.9583910E-03 13 3.2250230E+03 1.9883053E-01 -9.9004548E-02 4.9505343E-02 -2.4999635E-02 1.0836678E-02 -3.1500350E-03 14 1.7623507E+03 2.4041619E-01 -1.3452649E-01 6.8814218E-02 -3.4935200E-02 1.5165628E-02 -4.4097487E-03 15 9.8638894E+02 2.1237524E-01 -1.3257004E-01 6.9417077E-02 -3.5480477E-02 1.5421773E-02 -4.4845311E-03 16 5.6980004E+02 1.1511319E-01 -4.1603098E-02 1.7774966E-02 -8.4808768E-03 3.6331651E-03 -1.0551911E-03 17 3.4743912E+02 3.2023929E-02 1.3311416E-01 -1.0152411E-01 5.6512700E-02 -2.5106274E-02 7.3312959E-03 18 2.1859443E+02 5.3697208E-03 3.1633353E-01 -2.7393955E-01 1.5944024E-01 -7.1509494E-02 2.0900861E-02 19 1.3725327E+02 -2.0111805E-04 3.8829429E-01 -4.1251676E-01 2.5126531E-01 -1.1405562E-01 3.3422329E-02 20 8.4862064E+01 3.3809578E-04 2.4709889E-01 -2.7782646E-01 1.8210665E-01 -8.4723441E-02 2.4910670E-02 21 5.2068308E+01 -2.9214847E-04 6.3921048E-02 2.3073134E-01 -2.0815941E-01 1.0351137E-01 -3.0779190E-02 22 3.2962045E+01 1.6939161E-04 5.1058656E-03 6.0969358E-01 -7.0785975E-01 3.8133241E-01 -1.1503842E-01 23 2.0564227E+01 -1.2929188E-04 6.7256803E-04 4.4632003E-01 -5.9634321E-01 3.1916726E-01 -9.5890616E-02 24 1.2354184E+01 8.6382049E-05 -2.6850663E-04 1.1829504E-01 1.6448761E-01 -1.2239658E-01 3.7199853E-02 25 7.5641217E+00 -5.2955682E-05 -2.6182459E-05 5.9559579E-03 7.6537619E-01 -6.5453903E-01 2.1698501E-01 26 4.5739925E+00 3.5174625E-05 -5.9606415E-05 3.0483196E-03 5.0536395E-01 -6.6952515E-01 2.4044550E-01 27 2.7396490E+00 -1.9346639E-05 2.2175672E-05 -9.2618076E-04 1.0272578E-01 9.6506972E-02 -5.4945014E-02 28 1.5458697E+00 9.5525732E-06 -2.4287147E-06 3.5141117E-04 6.6142942E-03 7.1819489E-01 -3.4155090E-01 29 8.5989884E-01 -5.1756909E-06 6.3149107E-06 -2.6295943E-04 4.8159004E-04 5.4149113E-01 -3.3935665E-01 30 4.5826151E-01 2.5990890E-06 -1.6425959E-06 1.0591488E-04 3.0608039E-04 1.2360607E-01 -1.0357727E-01 31 2.4308744E-01 -1.3142640E-06 1.0083109E-06 -5.7245483E-05 -6.5963952E-05 5.6299365E-03 2.2822627E-01 32 1.2152573E-01 5.9620576E-07 -5.3892361E-07 2.6839513E-05 2.1874537E-05 2.6559207E-03 4.9630240E-01 33 6.0893308E-02 -2.3596850E-07 1.0938379E-07 -9.3056890E-06 -2.7228315E-05 6.1817940E-04 4.2571515E-01 34 3.0185296E-02 5.6218419E-08 -5.9689697E-08 2.6579263E-06 3.0408269E-07 3.0398658E-04 9.9822990E-02 2p- 3p- 4p- 5p- 6p- 1 5.7553485E+07 2.3861656E-05 -1.2098937E-05 6.0019993E-06 -2.4368625E-06 5.7997818E-07 2 1.6912486E+07 7.8953963E-05 -4.0034147E-05 1.9859958E-05 -8.0631670E-06 1.9190656E-06 3 5.3778068E+06 1.7634182E-04 -8.9424690E-05 4.4362889E-05 -1.8011893E-05 4.2868644E-06 4 1.8396873E+06 3.5527164E-04 -1.8019389E-04 8.9395408E-05 -3.6294858E-05 8.6383709E-06 5 6.6701259E+05 6.8268531E-04 -3.4637517E-04 1.7185603E-04 -6.9778756E-05 1.6607426E-05 6 2.5415158E+05 1.2834871E-03 -6.5164956E-04 3.2336222E-04 -1.3128976E-04 3.1248266E-05 7 1.0122199E+05 2.3995668E-03 -1.2199305E-03 6.0557496E-04 -2.4591933E-04 5.8528852E-05 8 4.2034735E+04 4.5350965E-03 -2.3116294E-03 1.1481152E-03 -4.6621606E-04 1.1097063E-04 9 1.8196646E+04 8.8090076E-03 -4.5109036E-03 2.2431366E-03 -9.1136708E-04 2.1690759E-04 10 8.2174487E+03 1.7767767E-02 -9.1700267E-03 4.5676644E-03 -1.8557666E-03 4.4178450E-04 11 3.8703916E+03 3.6947071E-02 -1.9308317E-02 9.6486068E-03 -3.9251031E-03 9.3425832E-04 12 1.8971509E+03 7.6527079E-02 -4.0811331E-02 2.0486962E-02 -8.3366205E-03 1.9852774E-03 13 9.6423721E+02 1.4816619E-01 -8.1448520E-02 4.1207220E-02 -1.6814310E-02 4.0032827E-03 14 5.0542065E+02 2.4567918E-01 -1.4036933E-01 7.1681673E-02 -2.9271913E-02 6.9758644E-03 15 2.7186129E+02 3.0992938E-01 -1.7984103E-01 9.2350368E-02 -3.7847797E-02 9.0112123E-03 16 1.4924477E+02 2.4737698E-01 -9.2684005E-02 3.7487360E-02 -1.4164922E-02 3.3534984E-03 17 8.3140463E+01 9.7786998E-02 1.8727572E-01 -1.4824368E-01 6.5892086E-02 -1.5922120E-02 18 4.7131483E+01 1.3187773E-02 4.5580656E-01 -3.6964375E-01 1.6899852E-01 -4.0800506E-02 19 2.7229115E+01 8.1117935E-04 3.6668038E-01 -2.6612735E-01 1.1217993E-01 -2.6929143E-02 20 1.5675902E+01 -2.0698515E-04 1.1542945E-01 2.3667068E-01 -1.5675897E-01 3.9928391E-02 21 8.8298688E+00 3.0551809E-05 1.0936233E-02 5.7599593E-01 -3.8341712E-01 9.7622409E-02 22 4.9910401E+00 -7.7109360E-05 1.0286693E-03 3.6178811E-01 -2.4483528E-01 6.3249581E-02 23 2.7579796E+00 3.7181383E-05 -1.4846437E-04 7.0894717E-02 2.6462723E-01 -9.0218547E-02 24 1.5021522E+00 -1.8419694E-05 7.1324149E-05 2.9606971E-03 5.4340135E-01 -1.7617013E-01 25 8.0099970E-01 1.2376121E-05 -7.6551882E-05 7.5632805E-04 3.5385222E-01 -1.3043471E-01 26 4.1615897E-01 -4.9627534E-06 2.4335174E-05 -1.2844201E-04 9.1698602E-02 5.0159824E-02 27 1.8857106E-01 2.4663897E-06 -1.3982156E-05 6.2859501E-05 8.5184787E-03 3.0686476E-01 28 8.7555118E-02 -1.2637915E-06 7.1279771E-06 -3.8695136E-05 3.5993042E-04 4.5360325E-01 29 4.0633898E-02 5.7491451E-07 -3.1770728E-06 1.4650417E-05 2.6725586E-04 3.1030299E-01 30 1.8755275E-02 -1.6736558E-07 9.4307410E-07 -4.7317449E-06 -2.5473970E-05 4.8451534E-02 2p+ 3p+ 4p+ 5p+ 6p+ 1 5.7553485E+07 6.3822798E-08 -3.3389764E-08 1.6650894E-08 -6.6143177E-09 1.4658303E-09 2 1.6912486E+07 2.6398547E-07 -1.3803194E-07 6.8553013E-08 -2.7104418E-08 6.0105076E-09 3 5.3778068E+06 1.0549638E-06 -5.5244440E-07 2.7535659E-07 -1.0929379E-07 2.4223979E-08 4 1.8396873E+06 3.8610657E-06 -2.0226110E-06 1.0056632E-06 -3.9798146E-07 8.8245341E-08 5 6.6701259E+05 1.3783011E-05 -7.2338882E-06 3.6059515E-06 -1.4306983E-06 3.1712857E-07 6 2.5415158E+05 4.8174408E-05 -2.5317030E-05 1.2601439E-05 -4.9895846E-06 1.1063206E-06 7 1.0122199E+05 1.6651972E-04 -8.7732138E-05 4.3762077E-05 -1.7361675E-05 3.8486365E-06 8 4.2034735E+04 5.6647887E-04 -2.9914297E-04 1.4909622E-04 -5.9063322E-05 1.3095905E-05 9 1.8196646E+04 1.8740780E-03 -9.9347047E-04 4.9621092E-04 -1.9689038E-04 4.3648422E-05 10 8.2174487E+03 5.9084440E-03 -3.1486495E-03 1.5729106E-03 -6.2347302E-04 1.3824688E-04 11 3.8703916E+03 1.7375785E-02 -9.3515913E-03 4.6876442E-03 -1.8613674E-03 4.1269225E-04 12 1.8971509E+03 4.6474774E-02 -2.5444590E-02 1.2794371E-02 -5.0788404E-03 1.1263763E-03 13 9.6423721E+02 1.0901678E-01 -6.1454851E-02 3.1158378E-02 -1.2404312E-02 2.7510937E-03 14 5.0542065E+02 2.1159324E-01 -1.2430082E-01 6.3604020E-02 -2.5341849E-02 5.6233080E-03 15 2.7186129E+02 3.1054781E-01 -1.9105789E-01 9.9239215E-02 -3.9744042E-02 8.8200177E-03 16 1.4924477E+02 2.9472453E-01 -1.5898356E-01 7.7812483E-02 -3.0564582E-02 6.7740086E-03 17 8.3140463E+01 1.4647825E-01 8.6191771E-02 -7.8962175E-02 3.4704434E-02 -7.8124675E-03 18 4.7131483E+01 2.7422028E-02 4.1902059E-01 -3.3766441E-01 1.4947078E-01 -3.3582819E-02 19 2.7229115E+01 1.7641077E-03 4.3303386E-01 -3.5349280E-01 1.5297499E-01 -3.4326192E-02 20 1.5675902E+01 -2.4638266E-04 1.7555169E-01 9.4739693E-02 -7.2770755E-02 1.7409618E-02 21 8.8298688E+00 5.2706101E-05 2.3653436E-02 5.4370878E-01 -3.4059997E-01 8.0069052E-02 22 4.9910401E+00 -1.1788832E-04 1.2945778E-03 4.5348221E-01 -3.2894989E-01 7.9238474E-02 23 2.7579796E+00 6.0324072E-05 7.0792438E-05 1.2112242E-01 1.2821240E-01 -4.2185074E-02 24 1.5021522E+00 -3.1749010E-05 -4.4271934E-05 8.1462519E-03 5.1042415E-01 -1.4914801E-01 25 8.0099970E-01 2.0504382E-05 -3.4246968E-05 1.2681910E-03 4.2932325E-01 -1.4448023E-01 26 4.1615897E-01 -8.5998579E-06 -1.6712800E-06 -1.1402208E-04 1.5464501E-01 -2.0954842E-02 27 1.8857106E-01 4.2001173E-06 -4.2485707E-06 9.3524705E-05 1.8792564E-02 2.1419626E-01 28 8.7555118E-02 -2.1593173E-06 1.7163425E-06 -5.1627862E-05 3.0357965E-04 4.3220428E-01 29 4.0633898E-02 9.8502250E-07 -6.6795847E-07 1.9286037E-05 6.2180003E-04 3.9943156E-01 30 1.8755275E-02 -2.8716254E-07 2.4250370E-07 -6.5836884E-06 -6.5837672E-05 1.0701428E-01 3d- 4d- 5d- 1 7.3085195E+04 3.2026879E-05 -1.6554412E-05 5.0461005E-06 2 1.7483465E+04 1.6032871E-04 -8.2902803E-05 2.5283164E-05 3 5.7912193E+03 6.9985646E-04 -3.6301379E-04 1.1070209E-04 4 2.2955079E+03 2.8547273E-03 -1.4841028E-03 4.5309304E-04 5 1.0234377E+03 1.0654055E-02 -5.5787250E-03 1.7040571E-03 6 4.9506436E+02 3.4422415E-02 -1.8159869E-02 5.5586912E-03 7 2.5336705E+02 9.2686005E-02 -4.9732368E-02 1.5257894E-02 8 1.3525691E+02 1.9754202E-01 -1.0705409E-01 3.2925611E-02 9 7.4166438E+01 3.1020292E-01 -1.6473614E-01 5.0442805E-02 10 4.1510011E+01 3.2419589E-01 -1.4096424E-01 4.1010017E-02 11 2.3402974E+01 1.8871140E-01 6.9290298E-02 -3.4665304E-02 12 1.3090124E+01 5.0701370E-02 3.4512601E-01 -1.3125189E-01 13 7.2436307E+00 4.8104932E-03 4.2751199E-01 -1.6146788E-01 14 3.9591472E+00 5.2921794E-04 2.4290926E-01 -2.6300200E-02 15 2.0937190E+00 3.4250573E-06 5.5241693E-02 2.3170445E-01 16 1.0655856E+00 1.8729391E-05 3.7525763E-03 3.8825463E-01 17 5.1928944E-01 -1.6484220E-05 5.8962242E-04 3.5361690E-01 18 2.3993836E-01 9.6974657E-07 6.5624377E-05 2.0141012E-01 19 1.0271158E-01 -1.9549312E-06 4.9159514E-05 5.0654536E-02 3d+ 4d+ 5d+ 1 7.3085195E+04 3.1004967E-06 -1.6058140E-06 4.7476281E-07 2 1.7483465E+04 3.9306083E-05 -2.0304883E-05 6.0154822E-06 3 5.7912193E+03 3.0884829E-04 -1.6019433E-04 4.7411381E-05 4 2.2955079E+03 1.7815599E-03 -9.2503131E-04 2.7416958E-04 5 1.0234377E+03 8.0706986E-03 -4.2198902E-03 1.2510075E-03 6 4.9506436E+02 2.9170100E-02 -1.5362489E-02 4.5640047E-03 7 2.5336705E+02 8.3930056E-02 -4.4957561E-02 1.3386056E-02 8 1.3525691E+02 1.8686449E-01 -1.0133633E-01 3.0259641E-02 9 7.4166438E+01 3.0468190E-01 -1.6279345E-01 4.8452955E-02 10 4.1510011E+01 3.3142243E-01 -1.5031047E-01 4.3008463E-02 11 2.3402974E+01 2.0193826E-01 4.7565511E-02 -2.5901113E-02 12 1.3090124E+01 5.7443601E-02 3.2778068E-01 -1.2104372E-01 13 7.2436307E+00 5.7880025E-03 4.3328134E-01 -1.5953381E-01 14 3.9591472E+00 6.2097419E-04 2.6157571E-01 -4.2402878E-02 15 2.0937190E+00 1.1081867E-05 6.3823755E-02 2.0505594E-01 16 1.0655856E+00 2.3828622E-05 4.6296964E-03 3.7367051E-01 17 5.1928944E-01 -1.9000050E-05 6.9699663E-04 3.6357442E-01 18 2.3993836E-01 1.2887920E-06 8.3599957E-05 2.2656249E-01 19 1.0271158E-01 -2.5173794E-06 6.7593608E-05 6.9757470E-02 4f- 1 1.5984529E+03 1.1820429E-04 2 5.4023670E+02 1.0696793E-03 3 2.3015033E+02 6.1992932E-03 4 1.1044826E+02 2.5392767E-02 5 5.6535919E+01 7.4303294E-02 6 3.0055120E+01 1.6600414E-01 7 1.6265242E+01 2.6945748E-01 8 8.7169377E+00 3.2510532E-01 9 4.5407487E+00 2.8352904E-01 10 2.2220809E+00 1.5298782E-01 11 9.6965516E-01 3.5636361E-02 12 3.8700265E-01 1.5600819E-03 4f+ 1 1.5984529E+03 7.9662824E-05 2 5.4023670E+02 8.9662822E-04 3 2.3015033E+02 5.6103042E-03 4 1.1044826E+02 2.3858160E-02 5 5.6535919E+01 7.1569313E-02 6 3.0055120E+01 1.6187994E-01 7 1.6265242E+01 2.6547203E-01 8 8.7169377E+00 3.2511232E-01 9 4.5407487E+00 2.8796054E-01 10 2.2220809E+00 1.5861262E-01 11 9.6965516E-01 3.8423061E-02 12 3.8700265E-01 1.8956051E-03 Small component functions ------------------------- 1s+ 2s+ 3s+ 4s+ 5s+ 6s+ 1 6.2091032E+07 -2.2742965E-04 8.8098541E-05 -4.2177226E-05 2.1071006E-05 -9.1105074E-06 2.6471931E-06 2 1.6531020E+07 -7.6953946E-04 2.9812893E-04 -1.4273309E-04 7.1306475E-05 -3.0831064E-05 8.9584530E-06 3 5.6666227E+06 -1.4536505E-03 5.6347792E-04 -2.6979532E-04 1.3478928E-04 -5.8279379E-05 1.6933939E-05 4 2.1625688E+06 -2.6154584E-03 1.0145435E-03 -4.8583034E-04 2.4272156E-04 -1.0494803E-04 3.0494429E-05 5 9.0428832E+05 -4.2839525E-03 1.6636829E-03 -7.9682558E-04 3.9812663E-04 -1.7214231E-04 5.0018547E-05 6 4.0047108E+05 -6.9139758E-03 2.6898751E-03 -1.2887488E-03 6.4393398E-04 -2.7843368E-04 8.0904249E-05 7 1.8613020E+05 -1.0737690E-02 4.1899470E-03 -2.0084420E-03 1.0037147E-03 -4.3400666E-04 1.2610785E-04 8 8.9401027E+04 -1.6478376E-02 6.4625942E-03 -3.1007036E-03 1.5498113E-03 -6.7018932E-04 1.9473974E-04 9 4.4116867E+04 -2.4548384E-02 9.7117559E-03 -4.6667100E-03 2.3336144E-03 -1.0091986E-03 2.9324561E-04 10 2.2257868E+04 -3.5470765E-02 1.4249213E-02 -6.8663321E-03 3.4355667E-03 -1.4860425E-03 4.3182613E-04 11 1.1466692E+04 -4.8692435E-02 2.0089243E-02 -9.7271747E-03 4.8733837E-03 -2.1084976E-03 6.1271554E-04 12 6.0232727E+03 -6.2140355E-02 2.6854280E-02 -1.3115854E-02 6.5841300E-03 -2.8502656E-03 8.2837186E-04 13 3.2250230E+03 -7.0281637E-02 3.2827814E-02 -1.6270031E-02 8.1991013E-03 -3.5523033E-03 1.0325044E-03 14 1.7623507E+03 -6.5339040E-02 3.4386170E-02 -1.7455453E-02 8.8459275E-03 -3.8384665E-03 1.1160436E-03 15 9.8638894E+02 -4.4251526E-02 2.6205906E-02 -1.3667156E-02 6.9796926E-03 -3.0331628E-03 8.8199131E-04 16 5.6980004E+02 -1.8522742E-02 6.7683876E-03 -3.0368951E-03 1.4755935E-03 -6.3497897E-04 1.8453143E-04 17 3.4743912E+02 -4.0382856E-03 -1.5265633E-02 1.1488950E-02 -6.3762533E-03 2.8308630E-03 -8.2656626E-04 18 2.1859443E+02 -5.5515093E-04 -2.9477552E-02 2.5248096E-02 -1.4661960E-02 6.5724072E-03 -1.9208096E-03 19 1.3725327E+02 2.9025896E-05 -2.8934776E-02 3.0453645E-02 -1.8521497E-02 8.4046685E-03 -2.4627410E-03 20 8.4862064E+01 -3.0866319E-05 -1.4527974E-02 1.6264663E-02 -1.0660375E-02 4.9589841E-03 -1.4580240E-03 21 5.2068308E+01 2.1999088E-05 -2.9552374E-03 -1.0433326E-02 9.3815830E-03 -4.6607069E-03 1.3856220E-03 22 3.2962045E+01 -1.2606518E-05 -1.8409195E-04 -2.2145345E-02 2.5647591E-02 -1.3810621E-02 4.1660552E-03 23 2.0564227E+01 7.9459372E-06 -2.1613590E-05 -1.2819961E-02 1.7104723E-02 -9.1549528E-03 2.7505568E-03 24 1.2354184E+01 -4.6593575E-06 7.4280324E-06 -2.6370064E-03 -3.6392983E-03 2.7063957E-03 -8.2232745E-04 25 7.5641217E+00 2.7416496E-06 -4.9325474E-07 -1.0273849E-04 -1.3306126E-02 1.1372080E-02 -3.7695334E-03 26 4.5739925E+00 -1.5898635E-06 1.3908474E-06 -4.1929435E-05 -6.8342597E-03 9.0502434E-03 -3.2501008E-03 27 2.7396490E+00 8.1751441E-07 -5.5643720E-07 1.0064512E-05 -1.0754720E-03 -1.0082592E-03 5.7407733E-04 28 1.5458697E+00 -3.8716814E-07 1.8374059E-07 -2.9458894E-06 -5.1915623E-05 -5.6434157E-03 2.6835763E-03 29 8.5989884E-01 1.9354828E-07 -1.2358324E-07 1.6370834E-06 -2.8689284E-06 -3.1735807E-03 1.9887490E-03 30 4.5826151E-01 -9.5467196E-08 5.1870198E-08 -5.0207843E-07 -1.2861317E-06 -5.2886428E-04 4.4314103E-04 31 2.4308744E-01 4.7292979E-08 -2.6163560E-08 2.0328422E-07 1.9336678E-07 -1.7538629E-05 -7.1111356E-04 32 1.2152573E-01 -2.1610259E-08 1.2024784E-08 -7.0770551E-08 -4.2442140E-08 -5.8536398E-06 -1.0933939E-03 33 6.0893308E-02 9.0204282E-09 -4.7970334E-09 1.9455120E-08 3.9998494E-08 -9.6307660E-07 -6.6389907E-04 34 3.0185296E-02 -2.3464723E-09 1.2884451E-09 -4.2199262E-09 3.1924660E-10 -3.3402279E-07 -1.0960409E-04 2p- 3p- 4p- 5p- 6p- 1 5.7553485E+07 -7.9818831E-06 4.0484841E-06 -2.0086947E-06 8.1574578E-07 -1.9413120E-07 2 1.6912486E+07 -2.7629407E-05 1.4019704E-05 -6.9554048E-06 2.8234124E-06 -6.7204628E-07 3 5.3778068E+06 -6.4625093E-05 3.2810232E-05 -1.6282877E-05 6.6129928E-06 -1.5737657E-06 4 1.8396873E+06 -1.3422756E-04 6.8212096E-05 -3.3852262E-05 1.3741956E-05 -3.2710628E-06 5 6.6701259E+05 -2.6662959E-04 1.3567183E-04 -6.7367770E-05 2.7365379E-05 -6.5123485E-06 6 2.5415158E+05 -5.2008992E-04 2.6515741E-04 -1.3168818E-04 5.3462735E-05 -1.2726664E-05 7 1.0122199E+05 -1.0096383E-03 5.1604206E-04 -2.5651439E-04 1.0422931E-04 -2.4804414E-05 8 4.2034735E+04 -1.9564262E-03 1.0034669E-03 -4.9905471E-04 2.0265961E-04 -4.8245779E-05 9 1.8196646E+04 -3.7663087E-03 1.9407843E-03 -9.6658967E-04 3.9294133E-04 -9.3515630E-05 10 8.2174487E+03 -7.1090234E-03 3.6891975E-03 -1.8397722E-03 7.4753225E-04 -1.7797917E-04 11 3.8703916E+03 -1.2908206E-02 6.7741912E-03 -3.3885544E-03 1.3789687E-03 -3.2821437E-04 12 1.8971509E+03 -2.1915653E-02 1.1724952E-02 -5.8896502E-03 2.3967638E-03 -5.7079892E-04 13 9.6423721E+02 -3.3260324E-02 1.8340885E-02 -9.2856444E-03 3.7897544E-03 -9.0228832E-04 14 5.0542065E+02 -4.2106494E-02 2.4159884E-02 -1.2348025E-02 5.0431268E-03 -1.2018957E-03 15 2.7186129E+02 -3.9991657E-02 2.3382598E-02 -1.2029363E-02 4.9322534E-03 -1.1743725E-03 16 1.4924477E+02 -2.3712000E-02 9.0260930E-03 -3.6812893E-03 1.3945997E-03 -3.3031206E-04 17 8.3140463E+01 -6.6409392E-03 -1.3918292E-02 1.0951832E-02 -4.8633016E-03 1.1750365E-03 18 4.7131483E+01 -3.0033349E-04 -2.5542182E-02 2.0663521E-02 -9.4435161E-03 2.2797905E-03 19 2.7229115E+01 2.5445251E-04 -1.5647044E-02 1.1361503E-02 -4.7931847E-03 1.1507578E-03 20 1.5675902E+01 2.0597411E-04 -3.7409922E-03 -7.6061662E-03 5.0412691E-03 -1.2841863E-03 21 8.8298688E+00 1.2985908E-04 -2.6829063E-04 -1.3944437E-02 9.2834938E-03 -2.3637088E-03 22 4.9910401E+00 8.8061644E-05 -1.9954949E-05 -6.5833843E-03 4.4594743E-03 -1.1522159E-03 23 2.7579796E+00 5.6264016E-05 9.8327455E-07 -9.5160920E-04 -3.5865766E-03 1.2224381E-03 24 1.5021522E+00 3.8648598E-05 -1.2577988E-06 -2.3294251E-05 -5.4348421E-03 1.7618048E-03 25 8.0099970E-01 2.2552855E-05 1.5996701E-07 -1.7396935E-06 -2.5845408E-03 9.5260561E-04 26 4.1615897E-01 1.7742753E-05 -3.9340302E-07 3.6007653E-06 -4.8310409E-04 -2.6382492E-04 27 1.8857106E-01 9.2350812E-06 -1.0625073E-07 1.3165722E-06 -3.0415844E-05 -1.0870925E-03 28 8.7555118E-02 6.8961476E-06 -1.2311289E-07 1.2334087E-06 -1.0414289E-06 -1.0949881E-03 29 4.0633898E-02 1.0878158E-06 -1.4221371E-08 1.5804664E-07 -4.6736290E-07 -5.1031958E-04 30 1.8755275E-02 3.8940605E-06 -6.2656539E-08 6.5062181E-07 -6.9369113E-08 -5.4096497E-05 2p+ 3p+ 4p+ 5p+ 6p+ 1 5.7553485E+07 -1.1593192E-07 6.0771082E-08 -3.0591479E-08 1.2279279E-08 -2.7174883E-09 2 1.6912486E+07 -5.8102270E-07 3.0307878E-07 -1.4962224E-07 5.8770555E-08 -1.3043917E-08 3 5.3778068E+06 -2.1880966E-06 1.1451712E-06 -5.7274669E-07 2.2826899E-07 -5.0565100E-08 4 1.8396873E+06 -7.5249066E-06 3.9297337E-06 -1.9479748E-06 7.6867889E-07 -1.7050059E-07 5 6.6701259E+05 -2.4288145E-05 1.2705858E-05 -6.3377885E-06 2.5183566E-06 -5.5807959E-07 6 2.5415158E+05 -7.3944696E-05 3.8652104E-05 -1.9197599E-05 7.5914219E-06 -1.6833891E-06 7 1.0122199E+05 -2.1344746E-04 1.1172822E-04 -5.5674979E-05 2.2093738E-05 -4.8969950E-06 8 4.2034735E+04 -5.8197171E-04 3.0482512E-04 -1.5158920E-04 6.0004147E-05 -1.3304406E-05 9 1.8196646E+04 -1.4907372E-03 7.8309211E-04 -3.9036395E-04 1.5485037E-04 -3.4325555E-05 10 8.2174487E+03 -3.5484006E-03 1.8723919E-03 -9.3309007E-04 3.6962690E-04 -8.1955709E-05 11 3.8703916E+03 -7.7617424E-03 4.1357348E-03 -2.0684011E-03 8.2095845E-04 -1.8200455E-04 12 1.8971509E+03 -1.5339430E-02 8.3156895E-03 -4.1716829E-03 1.6550858E-03 -3.6704004E-04 13 9.6423721E+02 -2.6565967E-02 1.4838593E-02 -7.5078588E-03 2.9876434E-03 -6.6257394E-04 14 5.0542065E+02 -3.8149067E-02 2.2226696E-02 -1.1352423E-02 4.5213044E-03 -1.0032196E-03 15 2.7186129E+02 -4.1622997E-02 2.5433464E-02 -1.3193367E-02 5.2823839E-03 -1.1722275E-03 16 1.4924477E+02 -2.9501367E-02 1.5865181E-02 -7.7715000E-03 3.0535813E-03 -6.7679094E-04 17 8.3140463E+01 -1.0984985E-02 -6.3015002E-03 5.7803090E-03 -2.5402166E-03 5.7184753E-04 18 4.7131483E+01 -1.5523163E-03 -2.3432020E-02 1.8850761E-02 -8.3418151E-03 1.8741460E-03 19 2.7229115E+01 -7.5134853E-05 -1.8461286E-02 1.5053769E-02 -6.5145467E-03 1.4618163E-03 20 1.5675902E+01 7.5990565E-06 -5.6817541E-03 -3.0465288E-03 2.3415811E-03 -5.6022666E-04 21 8.8298688E+00 -1.0309124E-06 -5.7541733E-04 -1.3178934E-02 8.2526788E-03 -1.9399689E-03 22 4.9910401E+00 1.9935010E-06 -2.3211130E-05 -8.2689913E-03 5.9963722E-03 -1.4444049E-03 23 2.7579796E+00 -7.2238108E-07 -1.2021295E-06 -1.6417128E-03 -1.7363752E-03 5.7129876E-04 24 1.5021522E+00 2.6140354E-07 5.8134362E-07 -8.1611499E-05 -5.1039013E-03 1.4913138E-03 25 8.0099970E-01 -1.1919922E-07 1.7650671E-07 -9.2008805E-06 -3.1350331E-03 1.0549850E-03 26 4.1615897E-01 3.0566329E-08 4.3693420E-08 5.7100800E-07 -8.1396192E-04 1.1030119E-04 27 1.8857106E-01 -8.2247396E-09 -5.5187629E-10 -3.1826122E-07 -6.6587033E-05 -7.5886592E-04 28 8.7555118E-02 1.6507548E-09 4.1396204E-09 1.1767178E-07 -7.3068497E-07 -1.0433978E-03 29 4.0633898E-02 8.1755691E-11 -2.8364891E-09 -2.8400102E-08 -1.0236719E-06 -6.5691240E-04 30 1.8755275E-02 -2.1484969E-10 9.6286150E-10 6.3139322E-09 7.3885258E-08 -1.1957088E-04 3d- 4d- 5d- 1 7.3085195E+04 -1.1431648E-05 5.9242052E-06 -1.8052360E-06 2 1.7483465E+04 -6.5498435E-05 3.3887527E-05 -1.0340906E-05 3 5.7912193E+03 -2.7688042E-04 1.4382356E-04 -4.3859020E-05 4 2.2955079E+03 -9.5934050E-04 4.9892693E-04 -1.5235079E-04 5 1.0234377E+03 -2.7967977E-03 1.4650033E-03 -4.4749580E-04 6 4.9506436E+02 -6.8104792E-03 3.5934271E-03 -1.0999980E-03 7 2.5336705E+02 -1.3658828E-02 7.3301415E-03 -2.2489139E-03 8 1.3525691E+02 -2.1705561E-02 1.1769221E-02 -3.6201335E-03 9 7.4166438E+01 -2.5502640E-02 1.3556655E-02 -4.1517812E-03 10 4.1510011E+01 -2.0035351E-02 8.7311603E-03 -2.5418002E-03 11 2.3402974E+01 -8.7560121E-03 -3.2185433E-03 1.6103260E-03 12 1.3090124E+01 -1.7396436E-03 -1.2036259E-02 4.5769681E-03 13 7.2436307E+00 -1.0845659E-04 -1.1099611E-02 4.1926093E-03 14 3.9591472E+00 -2.0585288E-06 -4.6628043E-03 5.0586023E-04 15 2.0937190E+00 3.8979919E-06 -7.6973347E-04 -3.2355271E-03 16 1.0655856E+00 1.5603481E-06 -3.6492209E-05 -3.8684708E-03 17 5.1928944E-01 9.2803056E-07 -3.6619966E-06 -2.4597205E-03 18 2.3993836E-01 2.7162721E-07 -1.6682444E-07 -9.5232377E-04 19 1.0271158E-01 1.7866432E-07 -5.9400231E-08 -1.5667174E-04 3d+ 4d+ 5d+ 1 7.3085195E+04 -4.2715908E-06 2.2115535E-06 -6.5330351E-07 2 1.7483465E+04 -3.5601908E-05 1.8347394E-05 -5.4347653E-06 3 5.7912193E+03 -1.8735772E-04 9.6981243E-05 -2.8689522E-05 4 2.2955079E+03 -7.3923146E-04 3.8295411E-04 -1.1346381E-04 5 1.0234377E+03 -2.3448242E-03 1.2234596E-03 -3.6256118E-04 6 4.9506436E+02 -6.0571697E-03 3.1837967E-03 -9.4555852E-04 7 2.5336705E+02 -1.2671194E-02 6.7754885E-03 -2.0167775E-03 8 1.3525691E+02 -2.0808738E-02 1.1267754E-02 -3.3638111E-03 9 7.4166438E+01 -2.5248582E-02 1.3475344E-02 -4.0100352E-03 10 4.1510011E+01 -2.0608396E-02 9.3444754E-03 -2.6741428E-03 11 2.3402974E+01 -9.4421726E-03 -2.2056811E-03 1.2033247E-03 12 1.3090124E+01 -2.0096976E-03 -1.1439415E-02 4.2235047E-03 13 7.2436307E+00 -1.5065870E-04 -1.1256630E-02 4.1438899E-03 14 3.9591472E+00 -1.1925297E-05 -5.0255751E-03 8.1502421E-04 15 2.0937190E+00 -1.5987738E-07 -8.9173834E-04 -2.8638841E-03 16 1.0655856E+00 -2.3496878E-07 -4.6161590E-05 -3.7235243E-03 17 5.1928944E-01 1.3098822E-07 -4.8423542E-06 -2.5291922E-03 18 2.3993836E-01 -5.5823590E-09 -3.9806067E-07 -1.0713323E-03 19 1.0271158E-01 7.6296076E-09 -2.0829579E-07 -2.1581880E-04 4f- 1 1.5984529E+03 -3.8144510E-05 2 5.4023670E+02 -2.4317458E-04 3 2.3015033E+02 -9.7905515E-04 4 1.1044826E+02 -2.8535269E-03 5 5.6535919E+01 -6.0470722E-03 6 3.0055120E+01 -9.9054449E-03 7 1.6265242E+01 -1.1861307E-02 8 8.7169377E+00 -1.0491089E-02 9 4.5407487E+00 -6.6076265E-03 10 2.2220809E+00 -2.4945241E-03 11 9.6965516E-01 -3.8363435E-04 12 3.8700265E-01 -1.0497911E-05 4f+ 1 1.5984529E+03 -3.1740676E-05 2 5.4023670E+02 -2.1842394E-04 3 2.3015033E+02 -9.1181896E-04 4 1.1044826E+02 -2.7157801E-03 5 5.6535919E+01 -5.8590865E-03 6 3.0055120E+01 -9.6913689E-03 7 1.6265242E+01 -1.1707756E-02 8 8.7169377E+00 -1.0502717E-02 9 4.5407487E+00 -6.7161888E-03 10 2.2220809E+00 -2.5881627E-03 11 9.6965516E-01 -4.1418511E-04 12 3.8700265E-01 -1.2907592E-05 ** Hg 202 ** Large component functions ------------------------- 1s+ 2s+ 3s+ 4s+ 5s+ 6s+ 1 6.1267281E+07 2.0263721E-04 -7.9074053E-05 3.7935495E-05 -1.9016120E-05 8.3240484E-06 -2.4114006E-06 2 1.6310458E+07 4.7731725E-04 -1.8696220E-04 8.9749916E-05 -4.4995917E-05 1.9697082E-05 -5.7061062E-06 3 5.5888882E+06 9.4458183E-04 -3.7151979E-04 1.7846399E-04 -8.9487721E-05 3.9174989E-05 -1.1348776E-05 4 2.1322062E+06 1.7059876E-03 -6.7529393E-04 3.2472559E-04 -1.6286713E-04 7.1302772E-05 -2.0656297E-05 5 8.9157691E+05 3.0343152E-03 -1.2099827E-03 5.8251725E-04 -2.9225241E-04 1.2795577E-04 -3.7068853E-05 6 3.9470916E+05 5.3028157E-03 -2.1352616E-03 1.0296094E-03 -5.1674247E-04 2.2626548E-04 -6.5550748E-05 7 1.8340343E+05 9.3060936E-03 -3.7890416E-03 1.8302063E-03 -9.1897846E-04 4.0243085E-04 -1.1658800E-04 8 8.8169505E+04 1.6375320E-02 -6.7584918E-03 3.2719027E-03 -1.6436573E-03 7.1987710E-04 -2.0856302E-04 9 4.3607826E+04 2.8909552E-02 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2.2080251E-02 19 1.3815017E+02 9.8421339E-05 3.7421665E-01 -4.0476887E-01 2.4783241E-01 -1.1401139E-01 3.3331357E-02 20 8.6097605E+01 1.0246260E-04 2.3920711E-01 -2.5787866E-01 1.7062560E-01 -8.0657857E-02 2.3660410E-02 21 5.1764283E+01 -1.2129022E-04 6.0555087E-02 2.7554345E-01 -2.5690559E-01 1.3086007E-01 -3.8896832E-02 22 3.2705893E+01 4.9333390E-05 1.5358252E-03 6.1832195E-01 -7.3404150E-01 4.0292803E-01 -1.2148708E-01 23 2.0500673E+01 -5.2736352E-05 1.8940002E-03 4.0254299E-01 -5.4231262E-01 2.9207754E-01 -8.7414774E-02 24 1.2823154E+01 3.8669304E-05 -1.0702555E-03 1.0423055E-01 1.7878381E-01 -1.2719962E-01 3.8116126E-02 25 7.9445394E+00 -1.9467683E-05 4.4806512E-04 1.0754529E-02 7.4278242E-01 -6.5345849E-01 2.1772585E-01 26 4.8429888E+00 1.3646623E-05 -3.2478785E-04 1.0931626E-03 5.2923158E-01 -6.8991237E-01 2.4727483E-01 27 2.8256759E+00 -7.3540389E-06 1.6705853E-04 5.0128901E-05 1.0714411E-01 8.6836543E-02 -5.2993574E-02 28 1.6482318E+00 3.8338721E-06 -8.4742615E-05 -1.2187731E-04 3.5756377E-03 7.1252909E-01 -3.3988308E-01 29 9.3337927E-01 -2.2105698E-06 4.9726886E-05 -2.4059564E-05 1.6696141E-03 5.4419507E-01 -3.3805979E-01 30 5.1439267E-01 1.0431076E-06 -2.3117757E-05 -1.7483231E-05 -1.5861088E-04 1.3688324E-01 -1.1559570E-01 31 2.7275001E-01 -4.8597344E-07 1.0836476E-05 3.3960746E-06 1.5751951E-04 8.6147099E-03 2.0871049E-01 32 1.3613989E-01 2.0794391E-07 -4.6388934E-06 -1.4932854E-06 -5.5993761E-05 7.5289169E-04 4.9220644E-01 33 6.7007247E-02 -7.6704928E-08 1.7022510E-06 1.1251379E-06 1.7081710E-05 -2.5359464E-04 4.4591221E-01 34 3.2531065E-02 1.8557108E-08 -4.1549925E-07 -6.8765119E-08 -5.3882091E-06 -3.8688811E-06 1.0811238E-01 2p- 3p- 4p- 5p- 6p- 1 5.7764817E+07 2.5094703E-05 -1.2748618E-05 6.3490236E-06 -2.6147171E-06 5.8581531E-07 2 1.7149744E+07 8.3285977E-05 -4.2311937E-05 2.1071983E-05 -8.6778924E-06 1.9442534E-06 3 5.4938711E+06 1.8536877E-04 -9.4183194E-05 4.6906286E-05 -1.9317613E-05 4.3280218E-06 4 1.8909622E+06 3.7175774E-04 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9.2492112E-02 -3.8457495E-02 8.6211633E-03 16 1.5538887E+02 2.4849589E-01 -9.4178057E-02 3.8489294E-02 -1.4760385E-02 3.2859004E-03 17 8.6509262E+01 9.9387186E-02 1.8512551E-01 -1.4761950E-01 6.6627076E-02 -1.5151190E-02 18 4.8910607E+01 1.3525616E-02 4.5801387E-01 -3.7325980E-01 1.7340954E-01 -3.9444238E-02 19 2.8143988E+01 8.0544233E-04 3.6870425E-01 -2.6682217E-01 1.1367308E-01 -2.5640284E-02 20 1.6121991E+01 -2.1658933E-04 1.1384805E-01 2.4710808E-01 -1.6584975E-01 3.9707172E-02 21 9.0743138E+00 4.0375764E-05 1.0171136E-02 5.7994619E-01 -3.9617873E-01 9.5331569E-02 22 5.1421602E+00 -8.3797783E-05 1.0934386E-03 3.5249313E-01 -2.3842551E-01 5.7654380E-02 23 2.8542627E+00 4.2733011E-05 -2.2454955E-04 6.7096544E-02 2.8706093E-01 -9.1913958E-02 24 1.5539857E+00 -2.0808701E-05 9.9456874E-05 2.8585886E-03 5.5225007E-01 -1.6803767E-01 25 8.2679139E-01 1.3774572E-05 -9.2948684E-05 6.6955675E-04 3.4047729E-01 -1.1760597E-01 26 4.2727530E-01 -5.5877510E-06 3.1687541E-05 -1.2133783E-04 8.0294832E-02 5.0034813E-02 27 1.9368537E-01 2.7398061E-06 -1.6825211E-05 5.4047576E-05 6.8907722E-03 2.9518496E-01 28 8.9521723E-02 -1.4124722E-06 8.7358265E-06 -3.7003122E-05 3.4466690E-04 4.4887754E-01 29 4.1486501E-02 6.4684903E-07 -3.9405798E-06 1.4078148E-05 1.7900360E-04 3.2037186E-01 30 1.9125199E-02 -1.8808011E-07 1.1582562E-06 -4.4991977E-06 -1.8850372E-05 5.4949707E-02 2p+ 3p+ 4p+ 5p+ 6p+ 1 5.7764817E+07 6.7325675E-08 -3.5319612E-08 1.7691707E-08 -7.1379460E-09 1.4690356E-09 2 1.7149744E+07 2.7563866E-07 -1.4455300E-07 7.2103415E-08 -2.8929509E-08 5.9543489E-09 3 5.4938711E+06 1.0911011E-06 -5.7297066E-07 2.8685608E-07 -1.1562600E-07 2.3797062E-08 4 1.8909622E+06 3.9541164E-06 -2.0774438E-06 1.0374376E-06 -4.1669077E-07 8.5764333E-08 5 6.8905422E+05 1.3986331E-05 -7.3614305E-06 3.6857949E-06 -1.4849389E-06 3.0562384E-07 6 2.6361307E+05 4.8459257E-05 -2.5541772E-05 1.2769069E-05 -5.1319028E-06 1.0562777E-06 7 1.0532244E+05 1.6612236E-04 -8.7775805E-05 4.3978247E-05 -1.7715771E-05 3.6463019E-06 8 4.3837690E+04 5.6117099E-04 -2.9722620E-04 1.4879413E-04 -5.9832010E-05 1.2315337E-05 9 1.9002845E+04 1.8467402E-03 -9.8185682E-04 4.9259330E-04 -1.9845573E-04 4.0848535E-05 10 8.5854638E+03 5.8043892E-03 -3.1023748E-03 1.5566429E-03 -6.2634443E-04 1.2892964E-04 11 4.0429294E+03 1.7048169E-02 -9.2008756E-03 4.6325196E-03 -1.8677008E-03 3.8447405E-04 12 1.9805871E+03 4.5624523E-02 -2.5043576E-02 1.2647609E-02 -5.0964556E-03 1.0492760E-03 13 1.0058710E+03 1.0727994E-01 -6.0604252E-02 3.0859823E-02 -1.2474143E-02 2.5686952E-03 14 5.2681901E+02 2.0918169E-01 -1.2309701E-01 6.3253146E-02 -2.5582376E-02 5.2696988E-03 15 2.8316741E+02 3.0915148E-01 -1.9049841E-01 9.9369958E-02 -4.0413740E-02 8.3277333E-03 16 1.5538887E+02 2.9667457E-01 -1.6169420E-01 7.9750999E-02 -3.1810010E-02 6.5429925E-03 17 8.6509262E+01 1.5000262E-01 8.0664706E-02 -7.5883071E-02 3.3942229E-02 -7.0901901E-03 18 4.8910607E+01 2.8635773E-02 4.1901565E-01 -3.3955277E-01 1.5289524E-01 -3.1912464E-02 19 2.8143988E+01 1.7638390E-03 4.3773332E-01 -3.5868431E-01 1.5755734E-01 -3.2798717E-02 20 1.6121991E+01 -2.3017205E-04 1.7577180E-01 9.9614997E-02 -7.6812823E-02 1.6989403E-02 21 9.0743138E+00 4.5520923E-05 2.2764131E-02 5.5013481E-01 -3.5384122E-01 7.7423026E-02 22 5.1421602E+00 -1.1453490E-04 1.4042581E-03 4.4781916E-01 -3.3091854E-01 7.3957023E-02 23 2.8542627E+00 6.0183886E-05 -5.2537618E-05 1.1714153E-01 1.4604234E-01 -4.3932154E-02 24 1.5539857E+00 -3.0525373E-05 6.1830336E-06 8.0784139E-03 5.2451266E-01 -1.4152317E-01 25 8.2679139E-01 1.9990931E-05 -6.5287662E-05 1.0927710E-03 4.2272553E-01 -1.3198341E-01 26 4.2727530E-01 -8.2847431E-06 1.2328435E-05 -7.4546787E-05 1.4056997E-01 -1.9353816E-02 27 1.9368537E-01 4.0542426E-06 -9.8536724E-06 6.3443774E-05 1.5502286E-02 2.0161277E-01 28 8.9521723E-02 -2.0909938E-06 4.9062901E-06 -4.1821786E-05 4.6056546E-04 4.2240754E-01 29 4.1486501E-02 9.5877789E-07 -2.1429083E-06 1.4688190E-05 4.1036752E-04 4.0836627E-01 30 1.9125199E-02 -2.7926933E-07 6.5505763E-07 -5.1131043E-06 -3.8923322E-05 1.1984376E-01 3d- 4d- 5d- 1 7.7042701E+04 3.2141323E-05 -1.6730292E-05 5.2971587E-06 2 1.8395217E+04 1.6011525E-04 -8.3382231E-05 2.6409339E-05 3 6.0764814E+03 6.9502426E-04 -3.6302582E-04 1.1500110E-04 4 2.4017579E+03 2.8225932E-03 -1.4778726E-03 4.6857301E-04 5 1.0682154E+03 1.0517281E-02 -5.5455325E-03 1.7597326E-03 6 5.1573536E+02 3.4016937E-02 -1.8073601E-02 5.7457720E-03 7 2.6355653E+02 9.1840867E-02 -4.9618951E-02 1.5816323E-02 8 1.4054286E+02 1.9646481E-01 -1.0724220E-01 3.4259793E-02 9 7.7018490E+01 3.0967943E-01 -1.6569527E-01 5.2724738E-02 10 4.3100618E+01 3.2484659E-01 -1.4263433E-01 4.3042764E-02 11 2.4306623E+01 1.9006471E-01 6.8237147E-02 -3.6001115E-02 12 1.3606207E+01 5.1383029E-02 3.4592124E-01 -1.3756873E-01 13 7.5428878E+00 4.8888858E-03 4.2890584E-01 -1.6924179E-01 14 4.1359425E+00 5.1406953E-04 2.4134127E-01 -2.4014250E-02 15 2.1981943E+00 2.0137918E-06 5.4141714E-02 2.4564882E-01 16 1.1235290E+00 2.6116743E-05 3.4795717E-03 3.9983833E-01 17 5.4978744E-01 -1.3611729E-05 2.8308147E-04 3.4926568E-01 18 2.5518713E-01 5.6215603E-06 -2.4156938E-05 1.8275003E-01 19 1.0975038E-01 -1.5465396E-06 7.4299677E-06 3.8175334E-02 3d+ 4d+ 5d+ 1 7.7042701E+04 3.0078968E-06 -1.5687349E-06 4.8293412E-07 2 1.8395217E+04 3.8034800E-05 -1.9797156E-05 6.1019254E-06 3 6.0764814E+03 2.9952161E-04 -1.5647598E-04 4.8208077E-05 4 2.4017579E+03 1.7344419E-03 -9.0728888E-04 2.7981828E-04 5 1.0682154E+03 7.8913596E-03 -4.1558774E-03 1.2824356E-03 6 5.1573536E+02 2.8659696E-02 -1.5205063E-02 4.7009248E-03 7 2.6355653E+02 8.2876154E-02 -4.4709552E-02 1.3858018E-02 8 1.4054286E+02 1.8547274E-01 -1.0133990E-01 3.1495754E-02 9 7.7018490E+01 3.0390684E-01 -1.6366314E-01 5.0720887E-02 10 4.3100618E+01 3.3215991E-01 -1.5225783E-01 4.5311007E-02 11 2.4306623E+01 2.0366071E-01 4.5840075E-02 -2.6702407E-02 12 1.3606207E+01 5.8380573E-02 3.2806517E-01 -1.2694977E-01 13 7.5428878E+00 5.9133567E-03 4.3501217E-01 -1.6780747E-01 14 4.1359425E+00 6.0780520E-04 2.6046939E-01 -4.1585781E-02 15 2.1981943E+00 8.6172465E-06 6.2801788E-02 2.1810936E-01 16 1.1235290E+00 3.1415031E-05 4.3599363E-03 3.8679880E-01 17 5.4978744E-01 -1.6254037E-05 3.5790731E-04 3.6181293E-01 18 2.5518713E-01 6.6233790E-06 -2.7170848E-05 2.0873536E-01 19 1.0975038E-01 -1.8364830E-06 9.8340773E-06 5.3445472E-02 4f- 1 1.7841137E+03 1.0748723E-04 2 6.0117765E+02 8.8139829E-04 3 2.5602262E+02 5.5435082E-03 4 1.2288125E+02 2.1740671E-02 5 6.3119951E+01 6.8687483E-02 6 3.3734474E+01 1.4711993E-01 7 1.8482452E+01 2.6394224E-01 8 1.0148368E+01 2.8689663E-01 9 5.5325072E+00 3.2847801E-01 10 2.3819196E+00 1.8637275E-01 11 1.0518378E+00 2.0506293E-02 12 4.2255517E-01 5.9196338E-03 4f+ 1 1.7841137E+03 7.2247202E-05 2 6.0117765E+02 7.2042961E-04 3 2.5602262E+02 5.0021676E-03 4 1.2288125E+02 2.0274020E-02 5 6.3119951E+01 6.6082548E-02 6 3.3734474E+01 1.4301869E-01 7 1.8482452E+01 2.6001114E-01 8 1.0148368E+01 2.8567482E-01 9 5.5325072E+00 3.3324176E-01 10 2.3819196E+00 1.9274616E-01 11 1.0518378E+00 2.2845956E-02 12 4.2255517E-01 6.3536406E-03 Small component functions ------------------------- 1s+ 2s+ 3s+ 4s+ 5s+ 6s+ 1 6.1267281E+07 -2.4221512E-04 9.4269062E-05 -4.5205341E-05 2.2658080E-05 -9.9179995E-06 2.8731357E-06 2 1.6310458E+07 -8.1861494E-04 3.1863558E-04 -1.5280300E-04 7.6587832E-05 -3.3524535E-05 9.7117367E-06 3 5.5888882E+06 -1.5443019E-03 6.0146379E-04 -2.8845531E-04 1.4458627E-04 -6.3289338E-05 1.8334220E-05 4 2.1322062E+06 -2.7725626E-03 1.0805942E-03 -5.1832339E-04 2.5980509E-04 -1.1372533E-04 3.2945301E-05 5 8.9157691E+05 -4.5312336E-03 1.7682205E-03 -8.4828592E-04 4.2523714E-04 -1.8614104E-04 5.3923003E-05 6 3.9470916E+05 -7.3021133E-03 2.8546228E-03 -1.3700060E-03 6.8678166E-04 -3.0063754E-04 8.7093069E-05 7 1.8340343E+05 -1.1305139E-02 4.4334528E-03 -2.1287003E-03 1.0673404E-03 -4.6723452E-04 1.3535329E-04 8 8.8169505E+04 -1.7258045E-02 6.8026696E-03 -3.2696345E-03 1.6396229E-03 -7.1780828E-04 2.0794940E-04 9 4.3607826E+04 -2.5556185E-02 1.0165028E-02 -4.8929696E-03 2.4549442E-03 -1.0748262E-03 3.1137327E-04 10 2.2055705E+04 -3.6764356E-02 1.4851677E-02 -7.1703602E-03 3.5995871E-03 -1.5762900E-03 4.5667622E-04 11 1.1378794E+04 -5.0284024E-02 2.0877157E-02 -1.0128165E-02 5.0916388E-03 -2.2302734E-03 6.4615018E-04 12 5.9792975E+03 -6.3786056E-02 2.7759679E-02 -1.3589724E-02 6.8452548E-03 -3.0001403E-03 8.6932607E-04 13 3.2039033E+03 -7.1253200E-02 3.3564527E-02 -1.6676047E-02 8.4342101E-03 -3.6997417E-03 1.0721288E-03 14 1.7558335E+03 -6.4996649E-02 3.4456924E-02 -1.7543920E-02 8.9218231E-03 -3.9197621E-03 1.1363274E-03 15 9.8777100E+02 -4.3135984E-02 2.5497542E-02 -1.3302042E-02 6.8173664E-03 -2.9994420E-03 8.6951917E-04 16 5.7291490E+02 -1.7861122E-02 5.4549492E-03 -2.2315739E-03 1.0438407E-03 -4.5040953E-04 1.3045648E-04 17 3.4598363E+02 -3.7877560E-03 -1.7267508E-02 1.3148030E-02 -7.3351984E-03 3.2995608E-03 -9.6098593E-04 18 2.1766112E+02 -4.2036395E-04 -3.0074078E-02 2.6105912E-02 -1.5297279E-02 6.9536111E-03 -2.0267035E-03 19 1.3815017E+02 6.8087136E-06 -2.7988440E-02 2.9985806E-02 -1.8331517E-02 8.4303129E-03 -2.4644763E-03 20 8.6097605E+01 -1.7079267E-05 -1.4174016E-02 1.5225595E-02 -1.0076284E-02 4.7628224E-03 -1.3971248E-03 21 5.1764283E+01 1.4247380E-05 -2.7916935E-03 -1.2440713E-02 1.1562365E-02 -5.8843575E-03 1.7487776E-03 22 3.2705893E+01 -8.9163540E-06 -5.3481886E-05 -2.2379870E-02 2.6501923E-02 -1.4541135E-02 4.3840314E-03 23 2.0500673E+01 6.7845174E-06 -5.6704523E-05 -1.1544593E-02 1.5532121E-02 -8.3662245E-03 2.5039687E-03 24 1.2823154E+01 -4.5203444E-06 2.5796986E-05 -2.3685745E-03 -4.0308379E-03 2.8657203E-03 -8.5844876E-04 25 7.9445394E+00 2.6538367E-06 -8.9064646E-06 -1.9056538E-04 -1.3234134E-02 1.1634679E-02 -3.8761001E-03 26 4.8429888E+00 -1.5230244E-06 5.0366942E-06 -1.6090100E-05 -7.3645304E-03 9.5963069E-03 -3.4393584E-03 27 2.8256759E+00 8.1798965E-07 -2.0557178E-06 -5.9625554E-08 -1.1393275E-03 -9.2113002E-04 5.6222698E-04 28 1.6482318E+00 -4.4889576E-07 8.4234285E-07 7.2564772E-07 -2.8876678E-05 -5.7813458E-03 2.7574780E-03 29 9.3337927E-01 2.3465328E-07 -3.8441098E-07 2.8682233E-07 -1.0279141E-05 -3.3229096E-03 2.0640509E-03 30 5.1439267E-01 -1.1618011E-07 1.4494016E-07 8.9950814E-09 7.5968094E-07 -6.2051684E-04 5.2397723E-04 31 2.7275001E-01 5.3897330E-08 -5.4416486E-08 2.1776713E-08 -5.3895934E-07 -2.8427426E-05 -6.8884019E-04 32 1.3613989E-01 -2.3641396E-08 1.9007215E-08 -1.1130564E-08 1.3894399E-07 -1.7592288E-06 -1.1477198E-03 33 6.7007247E-02 9.5459228E-09 -6.0963150E-09 4.1076134E-09 -3.1338730E-08 4.1629116E-07 -7.2947194E-04 34 3.2531065E-02 -2.4863751E-09 1.3363883E-09 -1.4790671E-09 7.0277372E-09 4.0374112E-09 -1.2323185E-04 2p- 3p- 4p- 5p- 6p- 1 5.7764817E+07 -8.4813123E-06 4.3100127E-06 -2.1468285E-06 8.8436798E-07 -1.9812561E-07 2 1.7149744E+07 -2.9414178E-05 1.4954363E-05 -7.4481045E-06 3.0666850E-06 -6.8712772E-07 3 5.4938711E+06 -6.8577048E-05 3.4883344E-05 -1.7379531E-05 7.1597788E-06 -1.6040192E-06 4 1.8909622E+06 -1.4170817E-04 7.2154479E-05 -3.5948844E-05 1.4801833E-05 -3.3166238E-06 5 6.8905422E+05 -2.7985404E-04 1.4267430E-04 -7.1122771E-05 2.9306040E-05 -6.5654606E-06 6 2.6361307E+05 -5.4245145E-04 2.7710433E-04 -1.3816048E-04 5.6892572E-05 -1.2748412E-05 7 1.0532244E+05 -1.0460712E-03 5.3570160E-04 -2.6733463E-04 1.1018907E-04 -2.4686130E-05 8 4.3837690E+04 -2.0138818E-03 1.0350251E-03 -5.1677266E-04 2.1285584E-04 -4.7699400E-05 9 1.9002845E+04 -3.8541448E-03 1.9899927E-03 -9.9501783E-04 4.1032576E-04 -9.1931374E-05 10 8.5854638E+03 -7.2398825E-03 3.7647813E-03 -1.8848677E-03 7.7681015E-04 -1.7409561E-04 11 4.0429294E+03 -1.3097480E-02 6.8865015E-03 -3.4583470E-03 1.4276753E-03 -3.1990104E-04 12 1.9805871E+03 -2.2187648E-02 1.1890996E-02 -5.9962992E-03 2.4750522E-03 -5.5484536E-04 13 1.0058710E+03 -3.3654814E-02 1.8581554E-02 -9.4437244E-03 3.9100004E-03 -8.7640558E-04 14 5.2681901E+02 -4.2666396E-02 2.4501496E-02 -1.2568976E-02 5.2065350E-03 -1.1679591E-03 15 2.8316741E+02 -4.0664235E-02 2.3783147E-02 -1.2280230E-02 5.1085123E-03 -1.1452507E-03 16 1.5538887E+02 -2.4278489E-02 9.3527194E-03 -3.8548645E-03 1.4821974E-03 -3.3010597E-04 17 8.6509262E+01 -6.8749629E-03 -1.4033075E-02 1.1120421E-02 -5.0140964E-03 1.1400833E-03 18 4.8910607E+01 -3.0910029E-04 -2.6145194E-02 2.1253689E-02 -9.8700559E-03 2.2449571E-03 19 2.8143988E+01 2.7025808E-04 -1.5996452E-02 1.1582602E-02 -4.9390082E-03 1.1142067E-03 20 1.6121991E+01 2.1615337E-04 -3.7419886E-03 -8.0538470E-03 5.4088252E-03 -1.2950632E-03 21 9.0743138E+00 1.3473610E-04 -2.5302198E-04 -1.4232805E-02 9.7242241E-03 -2.3399457E-03 22 5.1421602E+00 9.1385843E-05 -2.1304160E-05 -6.5100690E-03 4.4079763E-03 -1.0660910E-03 23 2.8542627E+00 5.8579029E-05 2.1094108E-06 -9.1542595E-04 -3.9578792E-03 1.2669473E-03 24 1.5539857E+00 4.0593834E-05 -1.5089332E-06 -2.2408248E-05 -5.6178641E-03 1.7092321E-03 25 8.2679139E-01 2.3765015E-05 3.0596162E-07 -9.5700476E-07 -2.5266292E-03 8.7265050E-04 26 4.2727530E-01 1.8519581E-05 -4.1334322E-07 3.7173053E-06 -4.2870371E-04 -2.6666352E-04 27 1.9368537E-01 9.6394764E-06 -8.6795145E-08 1.4219985E-06 -2.4986383E-05 -1.0597999E-03 28 8.9521723E-02 7.1808805E-06 -1.1916894E-07 1.2842469E-06 -1.0192844E-06 -1.0956826E-03 29 4.1486501E-02 1.1394545E-06 -1.2101156E-08 1.6849511E-07 -3.2649803E-07 -5.3237804E-04 30 1.9125199E-02 4.0310615E-06 -5.8253020E-08 6.7697945E-07 -7.9142671E-08 -6.1960190E-05 2p+ 3p+ 4p+ 5p+ 6p+ 1 5.7764817E+07 -1.2015710E-07 6.3131857E-08 -3.1932402E-08 1.3045406E-08 -2.6843554E-09 2 1.7149744E+07 -6.0081637E-07 3.1441556E-07 -1.5586331E-07 6.2047384E-08 -1.2772070E-08 3 5.4938711E+06 -2.2422823E-06 1.1766083E-06 -5.9116546E-07 2.3946825E-07 -4.9281177E-08 4 1.8909622E+06 -7.6544712E-06 4.0095350E-06 -1.9959999E-06 7.9894567E-07 -1.6444564E-07 5 6.8905422E+05 -2.4543006E-05 1.2874533E-05 -6.4507913E-06 2.6037196E-06 -5.3585787E-07 6 2.6361307E+05 -7.4344770E-05 3.8975922E-05 -1.9442164E-05 7.8018130E-06 -1.6057836E-06 7 1.0532244E+05 -2.1370871E-04 1.1217872E-04 -5.6148093E-05 2.2627002E-05 -4.6568800E-06 8 4.3837690E+04 -5.8111585E-04 3.0525854E-04 -1.5246612E-04 6.1255138E-05 -1.2607617E-05 9 1.9002845E+04 -1.4864648E-03 7.8301733E-04 -3.9205050E-04 1.5791190E-04 -3.2501128E-05 10 8.5854638E+03 -3.5384063E-03 1.8722895E-03 -9.3710186E-04 3.7680550E-04 -7.7558171E-05 11 4.0429294E+03 -7.7472853E-03 4.1385747E-03 -2.0788599E-03 8.3776511E-04 -1.7244528E-04 12 1.9805871E+03 -1.5341792E-02 8.3363381E-03 -4.1999654E-03 1.6914359E-03 -3.4821515E-04 13 1.0058710E+03 -2.6656421E-02 1.4916897E-02 -7.5795670E-03 3.0624580E-03 -6.3058710E-04 14 5.2681901E+02 -3.8471280E-02 2.2447752E-02 -1.1512844E-02 4.6542865E-03 -9.5868277E-04 15 2.8316741E+02 -4.2274398E-02 2.5866443E-02 -1.3474377E-02 5.4785103E-03 -1.1288712E-03 16 1.5538887E+02 -3.0301539E-02 1.6460487E-02 -8.1247599E-03 3.2416572E-03 -6.6680234E-04 17 8.6509262E+01 -1.1477014E-02 -6.0047571E-03 5.6593113E-03 -2.5311833E-03 5.2874241E-04 18 4.8910607E+01 -1.6517830E-03 -2.3867311E-02 1.9307551E-02 -8.6909800E-03 1.8139146E-03 19 2.8143988E+01 -7.6390125E-05 -1.8973302E-02 1.5529372E-02 -6.8215004E-03 1.4200441E-03 20 1.6121991E+01 7.1624320E-06 -5.7695959E-03 -3.2485394E-03 2.5063895E-03 -5.5438092E-04 21 9.0743138E+00 -8.5747659E-07 -5.6153108E-04 -1.3518077E-02 8.6912529E-03 -1.9016161E-03 22 5.1421602E+00 1.9529328E-06 -2.5549349E-05 -8.2886451E-03 6.1230455E-03 -1.3684252E-03 23 2.8542627E+00 -7.2838383E-07 4.5369232E-07 -1.6152549E-03 -2.0121470E-03 6.0527227E-04 24 1.5539857E+00 2.5155098E-07 9.0168223E-08 -8.2323187E-05 -5.3345119E-03 1.4392820E-03 25 8.2679139E-01 -1.1661906E-07 4.0383216E-07 -8.0442676E-06 -3.1361784E-03 9.7912858E-04 26 4.2727530E-01 2.8992623E-08 -2.7645237E-08 3.6716371E-07 -7.4969681E-04 1.0322513E-04 27 1.9368537E-01 -7.6531951E-09 1.8245973E-08 -2.1407997E-07 -5.5670187E-05 -7.2390550E-04 28 8.9521723E-02 1.4209380E-09 -2.8985449E-09 9.4820027E-08 -1.1217300E-06 -1.0311358E-03 29 4.1486501E-02 1.7289857E-10 -7.7171138E-10 -2.0933130E-08 -6.8317334E-07 -6.7861593E-04 30 1.9125199E-02 -2.4212173E-10 6.2334948E-10 4.6753981E-09 4.4299695E-08 -1.3521981E-04 3d- 4d- 5d- 1 7.7042701E+04 -1.1475212E-05 5.9878827E-06 -1.8958310E-06 2 1.8395217E+04 -6.5477835E-05 3.4122242E-05 -1.0812093E-05 3 6.0764814E+03 -2.7665499E-04 1.4471279E-04 -4.5847141E-05 4 2.4017579E+03 -9.5970854E-04 5.0270839E-04 -1.5941422E-04 5 1.0682154E+03 -2.8037399E-03 1.4789107E-03 -4.6930655E-04 6 5.1573536E+02 -6.8476267E-03 3.6387801E-03 -1.1568595E-03 7 2.6355653E+02 -1.3781335E-02 7.4469704E-03 -2.3738040E-03 8 1.4054286E+02 -2.1986667E-02 1.2008232E-02 -3.8365951E-03 9 7.7018490E+01 -2.5933554E-02 1.3889838E-02 -4.4205606E-03 10 4.3100618E+01 -2.0451987E-02 9.0008471E-03 -2.7180950E-03 11 2.4306623E+01 -8.9858329E-03 -3.2292417E-03 1.7039030E-03 12 1.3606207E+01 -1.7968118E-03 -1.2298746E-02 4.8905559E-03 13 7.5428878E+00 -1.1217652E-04 -1.1363205E-02 4.4842363E-03 14 4.1359425E+00 -1.5246281E-06 -4.7348893E-03 4.7228427E-04 15 2.1981943E+00 4.1643796E-06 -7.7287298E-04 -3.5147392E-03 16 1.1235290E+00 1.6023723E-06 -3.4631877E-05 -4.0907399E-03 17 5.4978744E-01 9.7357141E-07 -1.5494811E-06 -2.4997587E-03 18 2.5518713E-01 2.7003674E-07 2.7352992E-07 -8.9111609E-04 19 1.0975038E-01 1.9387102E-07 7.8330468E-08 -1.2203672E-04 3d+ 4d+ 5d+ 1 7.7042701E+04 -4.1762143E-06 2.1770639E-06 -6.6974304E-07 2 1.8395217E+04 -3.4931388E-05 1.8137979E-05 -5.5893185E-06 3 6.0764814E+03 -1.8484114E-04 9.6361200E-05 -2.9673832E-05 4 2.4017579E+03 -7.3315216E-04 3.8261450E-04 -1.1795782E-04 5 1.0682154E+03 -2.3368106E-03 1.2279828E-03 -3.7878207E-04 6 5.1573536E+02 -6.0660159E-03 3.2117552E-03 -9.9262841E-04 7 2.6355653E+02 -1.2751914E-02 6.8668390E-03 -2.1277316E-03 8 1.4054286E+02 -2.1045994E-02 1.1481500E-02 -3.5674605E-03 9 7.7018490E+01 -2.5660170E-02 1.3802719E-02 -4.2768120E-03 10 4.3100618E+01 -2.1045642E-02 9.6446978E-03 -2.8706545E-03 11 2.4306623E+01 -9.7051407E-03 -2.1650648E-03 1.2638937E-03 12 1.3606207E+01 -2.0824675E-03 -1.1672385E-02 4.5158099E-03 13 7.5428878E+00 -1.5708603E-04 -1.1532671E-02 4.4478795E-03 14 4.1359425E+00 -1.1926573E-05 -5.1149190E-03 8.1706476E-04 15 2.1981943E+00 -1.3062656E-07 -8.9910039E-04 -3.1212566E-03 16 1.1235290E+00 -3.1781064E-07 -4.4640918E-05 -3.9577507E-03 17 5.4978744E-01 1.1462183E-07 -2.5553167E-06 -2.5898002E-03 18 2.5518713E-01 -3.1567037E-08 1.2970676E-07 -1.0179176E-03 19 1.0975038E-01 5.6489618E-09 -3.0620115E-08 -1.7092449E-04 4f- 1 1.7841137E+03 -3.6329859E-05 2 6.0117765E+02 -2.0781914E-04 3 2.5602262E+02 -9.1984653E-04 4 1.2288125E+02 -2.5681369E-03 5 6.3119951E+01 -5.8999994E-03 6 3.3734474E+01 -9.2921829E-03 7 1.8482452E+01 -1.2380964E-02 8 1.0148368E+01 -9.9864068E-03 9 5.5325072E+00 -8.4489430E-03 10 2.3819196E+00 -3.1460853E-03 11 1.0518378E+00 -2.2979221E-04 12 4.2255517E-01 -4.1941160E-05 4f+ 1 1.7841137E+03 -3.0380314E-05 2 6.0117765E+02 -1.8402298E-04 3 2.5602262E+02 -8.5610676E-04 4 1.2288125E+02 -2.4306331E-03 5 6.3119951E+01 -5.7131166E-03 6 3.3734474E+01 -9.0671093E-03 7 1.8482452E+01 -1.2221756E-02 8 1.0148368E+01 -9.9564110E-03 9 5.5325072E+00 -8.5788528E-03 10 2.3819196E+00 -3.2563191E-03 11 1.0518378E+00 -2.5649609E-04 12 4.2255517E-01 -4.5212665E-05 Spin-free Dirac-Hartree-Fock basis sets ======================================= ** Hf 180 ** Large component functions ------------------------- 1s 2s 3s 4s 5s 6s 1 6.4780934E+07 1.1573259E-04 -4.3533157E-05 2.0586250E-05 -1.0048400E-05 3.9610886E-06 -1.0764351E-06 2 1.7238745E+07 2.7651231E-04 -1.0434396E-04 4.9367927E-05 -2.4099934E-05 9.5005745E-06 -2.5818219E-06 3 5.9049101E+06 5.5831466E-04 -2.1142232E-04 1.0008464E-04 -4.8864778E-05 1.9263484E-05 -5.2349239E-06 4 2.2500889E+06 1.0347391E-03 -3.9394501E-04 1.8664682E-04 -9.1145241E-05 3.5933943E-05 -9.7653361E-06 5 9.3617372E+05 1.8996821E-03 -7.2775549E-04 3.4513661E-04 -1.6858012E-04 6.6463079E-05 -1.8061734E-05 6 4.1074959E+05 3.4514803E-03 -1.3330083E-03 6.3298177E-04 -3.0926608E-04 1.2194495E-04 -3.3140277E-05 7 1.8832684E+05 6.3210944E-03 -2.4641270E-03 1.1717817E-03 -5.7271822E-04 2.2582172E-04 -6.1369022E-05 8 8.9151826E+04 1.1639743E-02 -4.5890201E-03 2.1861418E-03 -1.0689236E-03 4.2156747E-04 -1.1457091E-04 9 4.3376582E+04 2.1541116E-02 -8.6110404E-03 4.1111196E-03 -2.0112356E-03 7.9316093E-04 -2.1555160E-04 10 2.1589482E+04 3.9659344E-02 -1.6152522E-02 7.7352472E-03 -3.7868456E-03 1.4939665E-03 -4.0604272E-04 11 1.0973964E+04 7.1327990E-02 -2.9874363E-02 1.4372810E-02 -7.0443652E-03 2.7790229E-03 -7.5526137E-04 12 5.6912802E+03 1.2172032E-01 -5.3332971E-02 2.5858836E-02 -1.2696667E-02 5.0127980E-03 -1.3625826E-03 13 3.0108524E+03 1.8813537E-01 -8.8920282E-02 4.3688147E-02 -2.1520769E-02 8.4985147E-03 -2.3099119E-03 14 1.6250891E+03 2.4431064E-01 -1.3035699E-01 6.5495309E-02 -3.2433859E-02 1.2833466E-02 -3.4896199E-03 15 8.9539499E+02 2.3663012E-01 -1.4753590E-01 7.6469471E-02 -3.8166744E-02 1.5106426E-02 -4.1066748E-03 16 5.0398335E+02 1.4317954E-01 -7.8076184E-02 3.9685594E-02 -1.9707123E-02 7.8364305E-03 -2.1340281E-03 17 2.9035504E+02 4.1485828E-02 1.1852634E-01 -8.7674387E-02 4.7373269E-02 -1.9204700E-02 5.2439059E-03 18 1.7631995E+02 4.2406794E-03 3.2072231E-01 -2.6966361E-01 1.5190858E-01 -6.1627156E-02 1.6799978E-02 19 1.1270525E+02 4.0445582E-04 3.6395014E-01 -3.7660652E-01 2.2242960E-01 -9.2008744E-02 2.5192086E-02 20 7.1888352E+01 1.0208739E-05 2.6927401E-01 -3.1438780E-01 1.9739997E-01 -8.2010396E-02 2.2406945E-02 21 4.3923147E+01 -7.1452895E-05 8.5655375E-02 1.3192470E-01 -1.0945746E-01 4.6710075E-02 -1.2773209E-02 22 2.7242184E+01 4.8249065E-06 6.4424875E-03 6.3071075E-01 -6.7772829E-01 3.2636102E-01 -9.1239402E-02 23 1.6505663E+01 -2.8190172E-05 1.4246178E-03 4.9234128E-01 -6.6235898E-01 3.2006043E-01 -8.9149384E-02 24 9.7969434E+00 1.9574139E-05 -6.0040321E-04 1.2605212E-01 1.5048894E-01 -1.0410262E-01 2.9531355E-02 25 5.6926478E+00 -6.9507848E-06 1.4347371E-04 9.5045273E-03 7.8377212E-01 -5.7531921E-01 1.7162188E-01 26 3.2758044E+00 6.6368031E-06 -1.6255732E-04 1.4105482E-03 5.0400982E-01 -5.6874396E-01 1.8223293E-01 27 1.7889818E+00 -3.8808510E-06 8.5251060E-05 -7.7215240E-05 8.1859913E-02 6.9452859E-02 -2.9957015E-02 28 1.0176071E+00 2.3493672E-06 -4.9635054E-05 1.1565964E-05 6.5954188E-05 6.2240209E-01 -2.4536921E-01 29 5.6797939E-01 -1.5606768E-06 3.3569139E-05 -6.5380830E-05 1.9104373E-03 5.3877640E-01 -3.1400621E-01 30 3.1190344E-01 7.8305142E-07 -1.6460060E-05 1.2062430E-05 -3.7435200E-04 1.5094367E-01 -1.8424230E-01 31 1.5932415E-01 -3.9014268E-07 8.2298515E-06 -9.0765017E-06 2.1857022E-04 8.9187237E-03 1.7212173E-01 32 8.0715616E-02 1.9368830E-07 -4.1041770E-06 4.8019332E-06 -1.0533835E-04 1.8539664E-03 5.2495646E-01 33 4.1077918E-02 -7.8854501E-08 1.6400532E-06 -1.1778776E-06 3.0138710E-05 8.9974796E-04 4.6003777E-01 34 2.0835747E-02 1.9284528E-08 -4.1061228E-07 5.2814503E-07 -1.0905181E-05 2.3166612E-04 9.7764144E-02 2p 3p 4p 5p 6p 1 5.1923029E+07 3.4631603E-06 -1.7465347E-06 8.4099888E-07 -2.9687562E-07 6.9417539E-08 2 1.4040388E+07 1.1742940E-05 -5.9226595E-06 2.8518612E-06 -1.0066666E-06 2.3538959E-07 3 4.2135165E+06 2.8432047E-05 -1.4343632E-05 6.9073899E-06 -2.4384024E-06 5.7016302E-07 4 1.3773759E+06 6.3336259E-05 -3.1967675E-05 1.5395282E-05 -5.4343497E-06 1.2707323E-06 5 4.8194765E+05 1.3692526E-04 -6.9173917E-05 3.3323240E-05 -1.1764846E-05 2.7509133E-06 6 1.7859320E+05 2.9746596E-04 -1.5053339E-04 7.2535331E-05 -2.5605447E-05 5.9875973E-06 7 6.9640759E+04 6.6875951E-04 -3.3940667E-04 1.6368240E-04 -5.7805998E-05 1.3516390E-05 8 2.8521024E+04 1.5922443E-03 -8.1164852E-04 3.9171841E-04 -1.3831045E-04 3.2344707E-05 9 1.2268789E+04 4.0294693E-03 -2.0664838E-03 9.9901776E-04 -3.5302082E-04 8.2545738E-05 10 5.5412739E+03 1.0556287E-02 -5.4594410E-03 2.6434122E-03 -9.3389281E-04 2.1841645E-04 11 2.6212071E+03 2.7372821E-02 -1.4341177E-02 6.9676320E-03 -2.4647894E-03 5.7637708E-04 12 1.2927642E+03 6.6652224E-02 -3.5689333E-02 1.7420171E-02 -6.1640709E-03 1.4418990E-03 13 6.6114348E+02 1.4330090E-01 -7.9369932E-02 3.9073053E-02 -1.3860553E-02 3.2419403E-03 14 3.4833832E+02 2.5162672E-01 -1.4590252E-01 7.2618719E-02 -2.5794021E-02 6.0365044E-03 15 1.8814571E+02 3.2235348E-01 -1.9268278E-01 9.6800924E-02 -3.4501180E-02 8.0712453E-03 16 1.0339769E+02 2.5118180E-01 -9.7310848E-02 3.9135506E-02 -1.3088131E-02 3.0509581E-03 17 5.7466612E+01 9.2970074E-02 2.0268758E-01 -1.5250547E-01 5.8333873E-02 -1.3763573E-02 18 3.2612497E+01 1.0978994E-02 4.7111074E-01 -3.7378827E-01 1.4687284E-01 -3.4662289E-02 19 1.8775041E+01 8.2370096E-04 3.5640642E-01 -2.4596921E-01 8.8823648E-02 -2.0846249E-02 20 1.0762009E+01 -2.9344101E-04 1.0410746E-01 2.5080707E-01 -1.3475927E-01 3.2808953E-02 21 6.0430677E+00 6.1219016E-05 9.9405244E-03 5.5854154E-01 -3.0671065E-01 7.4787164E-02 22 3.3661019E+00 -9.1428711E-05 9.6213185E-04 3.5984621E-01 -2.1208208E-01 5.2604043E-02 23 1.8111233E+00 4.2605478E-05 7.9883802E-06 7.6680899E-02 1.6571019E-01 -4.9037308E-02 24 9.6723467E-01 -2.5630502E-05 3.5543087E-05 3.4521994E-03 4.7006978E-01 -1.3610451E-01 25 5.1314039E-01 1.5851639E-05 -2.9801265E-05 1.0661416E-03 4.0937527E-01 -1.5564966E-01 26 2.6998329E-01 -8.2333845E-06 1.3429345E-05 -2.8641193E-04 1.5321016E-01 -4.7020768E-02 27 1.2801326E-01 4.1662068E-06 -7.1210403E-06 1.2347120E-04 2.0414400E-02 2.2706115E-01 28 6.2429645E-02 -2.2596327E-06 3.9003842E-06 -7.8504533E-05 9.7591882E-04 4.6544607E-01 29 3.0288827E-02 1.0260368E-06 -1.7089357E-06 3.1550951E-05 8.1473673E-04 3.8161074E-01 30 1.4607384E-02 -2.8789668E-07 4.9972735E-07 -9.4691238E-06 -8.3550013E-05 7.8623966E-02 3d 4d 5d 1 4.7932975E+04 1.4510604E-05 -7.1144475E-06 1.4346511E-06 2 1.1632815E+04 9.7945034E-05 -4.8008808E-05 9.6684072E-06 3 3.9247206E+03 5.6208334E-04 -2.7670362E-04 5.5839353E-05 4 1.5820406E+03 2.7595217E-03 -1.3605767E-03 2.7425854E-04 5 7.1497572E+02 1.1354614E-02 -5.6425404E-03 1.1400918E-03 6 3.4923989E+02 3.8106521E-02 -1.9079408E-02 3.8548858E-03 7 1.7991310E+02 1.0276441E-01 -5.2411190E-02 1.0630598E-02 8 9.6415585E+01 2.1318328E-01 -1.0950985E-01 2.2201984E-02 9 5.2908824E+01 3.2113234E-01 -1.6080271E-01 3.2557641E-02 10 2.9588123E+01 3.1540445E-01 -1.2258622E-01 2.3280096E-02 11 1.6608483E+01 1.6821710E-01 9.6487497E-02 -2.6949621E-02 12 9.1942898E+00 3.9907711E-02 3.5494920E-01 -8.5731355E-02 13 5.0022545E+00 3.3816896E-03 4.1448260E-01 -9.7575472E-02 14 2.6528481E+00 5.2981204E-04 2.3647061E-01 -2.2813264E-02 15 1.3396017E+00 5.9483357E-05 5.5763296E-02 1.4203089E-01 16 6.2908545E-01 3.1698706E-05 3.6456970E-03 3.0672778E-01 17 2.8196997E-01 -6.5743747E-06 4.2662884E-04 3.7851336E-01 18 1.2054260E-01 2.3883267E-06 -3.8296188E-05 3.1465990E-01 19 4.8354729E-02 -1.2167018E-06 4.0290244E-05 1.3967314E-01 4f 1 9.8605349E+02 1.4228227E-04 2 3.3709097E+02 1.4077049E-03 3 1.4392596E+02 8.1742962E-03 4 6.9004994E+01 3.1595125E-02 5 3.4971760E+01 8.7322126E-02 6 1.8367110E+01 1.8112226E-01 7 9.7118702E+00 2.7256303E-01 8 5.0133492E+00 3.1522922E-01 9 2.4539427E+00 2.8128260E-01 10 1.0876844E+00 1.7733418E-01 11 4.0757909E-01 5.3173204E-02 12 1.4970359E-01 1.3067241E-03 Pseudo-large component functions -------------------------------- 1s 2s 3s 4s 5s 6s 1 6.4780934E+07 2.9628236E-06 -1.1118732E-06 5.2559384E-07 -2.5652686E-07 1.0111933E-07 -2.7479180E-08 2 1.7238745E+07 1.9613402E-05 -7.3609767E-06 3.4796706E-06 -1.6983200E-06 6.6948561E-07 -1.8193553E-07 3 5.9049101E+06 6.4162712E-05 -2.4091473E-05 1.1389245E-05 -5.5588780E-06 2.1912100E-06 -5.9545875E-07 4 2.2500889E+06 1.9005080E-04 -7.1396788E-05 3.3756063E-05 -1.6475866E-05 6.4950763E-06 -1.7650805E-06 5 9.3617372E+05 4.9397065E-04 -1.8575299E-04 8.7836134E-05 -4.2873836E-05 1.6899847E-05 -4.5924790E-06 6 4.1074959E+05 1.2358463E-03 -4.6539481E-04 2.2012524E-04 -1.0744988E-04 4.2360849E-05 -1.1511996E-05 7 1.8832684E+05 2.9179688E-03 -1.1017178E-03 5.2131476E-04 -2.5450178E-04 1.0031899E-04 -2.7261206E-05 8 8.9151826E+04 6.6769151E-03 -2.5318838E-03 1.1989553E-03 -5.8540806E-04 2.3081255E-04 -6.2726921E-05 9 4.3376582E+04 1.4648925E-02 -5.5987265E-03 2.6547289E-03 -1.2966671E-03 5.1115653E-04 -1.3890481E-04 10 2.1589482E+04 3.0879861E-02 -1.1965942E-02 5.6875523E-03 -2.7794920E-03 1.0961539E-03 -2.9790919E-04 11 1.0973964E+04 6.1442872E-02 -2.4409711E-02 1.1652081E-02 -5.7004829E-03 2.2478719E-03 -6.1086973E-04 12 5.6912802E+03 1.1297413E-01 -4.6889169E-02 2.2556792E-02 -1.1055154E-02 4.3630222E-03 -1.1859033E-03 13 3.0108524E+03 1.8395379E-01 -8.2390369E-02 4.0177517E-02 -1.9757223E-02 7.7989145E-03 -2.1196348E-03 14 1.6250891E+03 2.4759997E-01 -1.2545266E-01 6.2611962E-02 -3.0958722E-02 1.2245793E-02 -3.3296850E-03 15 8.9539499E+02 2.4533339E-01 -1.4605345E-01 7.5352727E-02 -3.7571122E-02 1.4867232E-02 -4.0415210E-03 16 5.0398335E+02 1.5055384E-01 -8.0352125E-02 4.1150443E-02 -2.0479248E-02 8.1459298E-03 -2.2183091E-03 17 2.9035504E+02 4.3892604E-02 1.1516789E-01 -8.4239329E-02 4.5407868E-02 -1.8402053E-02 5.0247115E-03 18 1.7631995E+02 4.5780025E-03 3.1996364E-01 -2.6661389E-01 1.4991084E-01 -6.0789038E-02 1.6570371E-02 19 1.1270525E+02 3.2713384E-04 3.6564985E-01 -3.7552495E-01 2.2152805E-01 -9.1615854E-02 2.5083831E-02 20 7.1888352E+01 1.0316650E-04 2.7136057E-01 -3.1531219E-01 1.9788388E-01 -8.2199577E-02 2.2458365E-02 21 4.3923147E+01 -1.5731087E-04 8.6486989E-02 1.3025074E-01 -1.0768150E-01 4.5877618E-02 -1.2541731E-02 22 2.7242184E+01 7.8108687E-05 6.4900000E-03 6.3097782E-01 -6.7669162E-01 3.2574994E-01 -9.1064749E-02 23 1.6505663E+01 -8.6572510E-05 1.4449050E-03 4.9325140E-01 -6.6272888E-01 3.2023045E-01 -8.9197221E-02 24 9.7969434E+00 6.4919385E-05 -6.1224703E-04 1.2635037E-01 1.5002590E-01 -1.0374677E-01 2.9426910E-02 25 5.6926478E+00 -4.1990561E-05 1.5041077E-04 9.5139768E-03 7.8388501E-01 -5.7515396E-01 1.7156241E-01 26 3.2758044E+00 3.3682023E-05 -1.6764481E-04 1.4196289E-03 5.0423296E-01 -5.6879058E-01 1.8224391E-01 27 1.7889818E+00 -2.6212247E-05 8.9112594E-05 -8.3341378E-05 8.1897664E-02 6.9396558E-02 -2.9930342E-02 28 1.0176071E+00 2.1850610E-05 -5.2757096E-05 1.6761067E-05 6.7550734E-05 6.2241026E-01 -2.4535939E-01 29 5.6797939E-01 -1.7046293E-05 3.5950269E-05 -6.9536389E-05 1.9097250E-03 5.3880365E-01 -3.1400452E-01 30 3.1190344E-01 1.1959240E-05 -1.8106382E-05 1.5022022E-05 -3.7353548E-04 1.5095391E-01 -1.8424545E-01 31 1.5932415E-01 -8.1500223E-06 9.3359024E-06 -1.1125924E-05 2.1796469E-04 8.9188296E-03 1.7211978E-01 32 8.0715616E-02 5.7826492E-06 -4.8804541E-06 6.2737195E-06 -1.0487694E-04 1.8542522E-03 5.2495650E-01 33 4.1077918E-02 -3.5404898E-06 2.1118233E-06 -2.0877733E-06 2.9843134E-05 8.9959594E-04 4.6003939E-01 34 2.0835747E-02 1.3187191E-06 -5.8522408E-07 8.6929245E-07 -1.0791593E-05 2.3172389E-04 9.7764580E-02 2p 3p 4p 5p 6p 1 5.1923029E+07 2.0206731E-08 -1.0199786E-08 4.9145814E-09 -1.7361442E-09 4.0587748E-10 2 1.4040388E+07 1.4140070E-07 -7.1416018E-08 3.4384835E-08 -1.2130310E-08 2.8369834E-09 3 4.2135165E+06 6.8051265E-07 -3.4403863E-07 1.6582362E-07 -5.8581929E-08 1.3695550E-08 4 1.3773759E+06 2.9123227E-06 -1.4742661E-06 7.1016785E-07 -2.5055187E-07 5.8599078E-08 5 4.8194765E+05 1.1877603E-05 -6.0226128E-06 2.9047419E-06 -1.0263059E-06 2.3993855E-07 6 1.7859320E+05 4.7177899E-05 -2.3965818E-05 1.1554128E-05 -4.0773264E-06 9.5359895E-07 7 6.9640759E+04 1.8279945E-04 -9.3056552E-05 4.4918176E-05 -1.5871521E-05 3.7107688E-06 8 2.8521024E+04 6.8119087E-04 -3.4766281E-04 1.6780179E-04 -5.9235540E-05 1.3853708E-05 9 1.2268789E+04 2.3972853E-03 -1.2281952E-03 5.9367216E-04 -2.0980985E-04 4.9056538E-05 10 5.5412739E+03 7.8075708E-03 -4.0259950E-03 1.9478745E-03 -6.8799832E-04 1.6090978E-04 11 2.6212071E+03 2.3119977E-02 -1.2063281E-02 5.8556664E-03 -2.0711679E-03 4.8431391E-04 12 1.2927642E+03 6.0825538E-02 -3.2421251E-02 1.5808254E-02 -5.5923264E-03 1.3081430E-03 13 6.6114348E+02 1.3665511E-01 -7.5368981E-02 3.7069559E-02 -1.3147703E-02 3.0751343E-03 14 3.4833832E+02 2.4587018E-01 -1.4207736E-01 7.0661838E-02 -2.5094824E-02 5.8728118E-03 15 1.8814571E+02 3.1907339E-01 -1.9042334E-01 9.5656159E-02 -3.4093293E-02 7.9758053E-03 16 1.0339769E+02 2.4957133E-01 -9.7192362E-02 3.9300785E-02 -1.3165389E-02 3.0694487E-03 17 5.7466612E+01 9.1203901E-02 2.0192671E-01 -1.5157917E-01 5.7955791E-02 -1.3673928E-02 18 3.2612497E+01 9.0195390E-03 4.7114981E-01 -3.7325787E-01 1.4663087E-01 -3.4604465E-02 19 1.8775041E+01 -9.5384294E-04 3.5700887E-01 -2.4635937E-01 8.9001643E-02 -2.0888972E-02 20 1.0762009E+01 -1.8866642E-03 1.0434907E-01 2.5034179E-01 -1.3450683E-01 3.2747497E-02 21 6.0430677E+00 -1.3507365E-03 1.0034904E-02 5.5833962E-01 -3.0655683E-01 7.4748613E-02 22 3.3661019E+00 -1.3567466E-03 1.0071517E-03 3.5976386E-01 -2.1205384E-01 5.2598042E-02 23 1.8111233E+00 -1.0803562E-03 6.6330824E-05 7.6519415E-02 1.6571892E-01 -4.9035546E-02 24 9.6723467E-01 -1.0182049E-03 7.1680695E-05 3.3014742E-03 4.7009168E-01 -1.3610559E-01 25 5.1314039E-01 -7.6693485E-04 1.0483020E-05 9.3543107E-04 4.0940943E-01 -1.5565435E-01 26 2.6998329E-01 -8.4853795E-04 4.5936585E-05 -4.1676348E-04 1.5323717E-01 -4.7028791E-02 27 1.2801326E-01 -5.7955131E-04 2.1634134E-05 2.7085092E-05 2.0432502E-02 2.2705415E-01 28 6.2429645E-02 -7.8242557E-04 3.5622016E-05 -2.0095442E-04 9.9679852E-04 4.6543867E-01 29 3.0288827E-02 -4.9745626E-05 2.2152182E-06 2.1807822E-05 8.1680237E-04 3.8161075E-01 30 1.4607384E-02 -9.7443887E-04 4.2480867E-05 -1.6461970E-04 -5.6589718E-05 7.8614956E-02 3d 4d 5d 1 4.7932975E+04 3.6544912E-06 -1.7968098E-06 3.6297456E-07 2 1.1632815E+04 5.1172327E-05 -2.5063856E-05 5.0441006E-06 3 3.9247206E+03 4.1257713E-04 -2.0306733E-04 4.0987508E-05 4 1.5820406E+03 2.3723417E-03 -1.1685763E-03 2.3550246E-04 5 7.1497572E+02 1.0524082E-02 -5.2254726E-03 1.0557364E-03 6 3.4923989E+02 3.6662919E-02 -1.8340642E-02 3.7050935E-03 7 1.7991310E+02 1.0078603E-01 -5.1364225E-02 1.0417246E-02 8 9.6415585E+01 2.1117533E-01 -1.0842624E-01 2.1980811E-02 9 5.2908824E+01 3.1972168E-01 -1.6006839E-01 3.2408646E-02 10 2.9588123E+01 3.1483063E-01 -1.2246740E-01 2.3265375E-02 11 1.6608483E+01 1.6795863E-01 9.6214889E-02 -2.6874452E-02 12 9.1942898E+00 3.9670360E-02 3.5471605E-01 -8.5666469E-02 13 5.0022545E+00 3.1921661E-03 4.1439887E-01 -9.7551075E-02 14 2.6528481E+00 4.0480054E-04 2.3644556E-01 -2.2822540E-02 15 1.3396017E+00 -2.4637297E-05 5.5731199E-02 1.4201235E-01 16 6.2908545E-01 -1.9345488E-05 3.6211951E-03 3.0671401E-01 17 2.8196997E-01 -3.6974960E-05 4.1138978E-04 3.7850621E-01 18 1.2054260E-01 -1.2979901E-05 -4.5798684E-05 3.1465690E-01 19 4.8354729E-02 -1.3239848E-05 3.4263597E-05 1.3967118E-01 4f 1 9.8605349E+02 1.2492921E-04 2 3.3709097E+02 1.3418109E-03 3 1.4392596E+02 8.0006070E-03 4 6.9004994E+01 3.1284303E-02 5 3.4971760E+01 8.6909724E-02 6 1.8367110E+01 1.8072319E-01 7 9.7118702E+00 2.7228027E-01 8 5.0133492E+00 3.1507394E-01 9 2.4539427E+00 2.8121371E-01 10 1.0876844E+00 1.7730888E-01 11 4.0757909E-01 5.3165223E-02 12 1.4970359E-01 1.3042367E-03 Foldy-Wouthuysen functions -------------------------- 1s 2s 3s 4s 5s 6s 1 6.4780934E+07 3.0492410E-04 -1.1649701E-04 5.5179711E-05 -2.6953517E-05 1.0624736E-05 -2.8875951E-06 2 1.7238745E+07 6.7935538E-04 -2.5991369E-04 1.2312291E-04 -6.0140335E-05 2.3707034E-05 -6.4431529E-06 3 5.9049101E+06 1.2498083E-03 -4.7883115E-04 2.2689674E-04 -1.1084621E-04 4.3695169E-05 -1.1875409E-05 4 2.2500889E+06 2.1292220E-03 -8.1807444E-04 3.8776049E-04 -1.8941519E-04 7.4671078E-05 -2.0294333E-05 5 9.3617372E+05 3.5490178E-03 -1.3683301E-03 6.4912364E-04 -3.1719105E-04 1.2504335E-04 -3.3983609E-05 6 4.1074959E+05 5.8419000E-03 -2.2642683E-03 1.0749591E-03 -5.2520433E-04 2.0707199E-04 -5.6277638E-05 7 1.8832684E+05 9.6731623E-03 -3.7750432E-03 1.7952336E-03 -8.7761447E-04 3.4601545E-04 -9.4034282E-05 8 8.9151826E+04 1.6181482E-02 -6.3746673E-03 3.0361854E-03 -1.4842674E-03 5.8534933E-04 -1.5908942E-04 9 4.3376582E+04 2.7499929E-02 -1.0973189E-02 5.2407157E-03 -2.5641779E-03 1.0112927E-03 -2.7484882E-04 10 2.1589482E+04 4.7214576E-02 -1.9191392E-02 9.1927866E-03 -4.4996697E-03 1.7752592E-03 -4.8251341E-04 11 1.0973964E+04 8.0501708E-02 -3.3677113E-02 1.6214926E-02 -7.9473260E-03 3.1350796E-03 -8.5199744E-04 12 5.6912802E+03 1.3204762E-01 -5.7887055E-02 2.8088570E-02 -1.3789955E-02 5.4439831E-03 -1.4797337E-03 13 3.0108524E+03 1.9810355E-01 -9.3936926E-02 4.6224541E-02 -2.2779382E-02 8.9959413E-03 -2.4450981E-03 14 1.6250891E+03 2.5116042E-01 -1.3493160E-01 6.7927363E-02 -3.3653207E-02 1.3318390E-02 -3.6215821E-03 15 8.9539499E+02 2.3816476E-01 -1.5012945E-01 7.8057421E-02 -3.8996039E-02 1.5438894E-02 -4.1971724E-03 16 5.0398335E+02 1.4100694E-01 -7.7285126E-02 3.9474098E-02 -1.9624079E-02 7.8068773E-03 -2.1261341E-03 17 2.9035504E+02 3.9515388E-02 1.2192105E-01 -8.9717586E-02 4.8432614E-02 -1.9630893E-02 5.3603008E-03 18 1.7631995E+02 3.5467602E-03 3.2361778E-01 -2.7227299E-01 1.5343768E-01 -6.2250871E-02 1.6969938E-02 19 1.1270525E+02 2.0947986E-04 3.6470677E-01 -3.7806440E-01 2.2336126E-01 -9.2403204E-02 2.5300895E-02 20 7.1888352E+01 -5.6737790E-05 2.6890983E-01 -3.1448913E-01 1.9766346E-01 -8.2137997E-02 2.2441976E-02 21 4.3923147E+01 -9.2249783E-05 8.5000507E-02 1.3352813E-01 -1.1050479E-01 4.7143247E-02 -1.2891035E-02 22 2.7242184E+01 -3.7031899E-06 6.2734764E-03 6.3181805E-01 -6.7912396E-01 3.2706571E-01 -9.1437924E-02 23 1.6505663E+01 -3.3134572E-05 1.3762749E-03 4.9214054E-01 -6.6234765E-01 3.2006238E-01 -8.9149265E-02 24 9.7969434E+00 1.5696568E-05 -6.0637291E-04 1.2583389E-01 1.5107451E-01 -1.0439550E-01 2.9611879E-02 25 5.6926478E+00 -9.5053738E-06 1.3405948E-04 9.4574031E-03 7.8401780E-01 -5.7552597E-01 1.7168600E-01 26 3.2758044E+00 5.4995430E-06 -1.6307982E-04 1.4031297E-03 5.0393823E-01 -5.6874261E-01 1.8223607E-01 27 1.7889818E+00 -4.4226151E-06 8.2589923E-05 -8.1003592E-05 8.1822988E-02 6.9528116E-02 -2.9981627E-02 28 1.0176071E+00 2.0509846E-06 -4.9344481E-05 1.1639586E-05 5.5614805E-05 6.2244036E-01 -2.4538391E-01 29 5.6797939E-01 -1.7409781E-06 3.2704368E-05 -6.6383718E-05 1.9123323E-03 5.3877050E-01 -3.1400906E-01 30 3.1190344E-01 6.8739536E-07 -1.6292598E-05 1.1780491E-05 -3.7534884E-04 1.5093713E-01 -1.8424014E-01 31 1.5932415E-01 -4.4136882E-07 8.0172587E-06 -9.1192673E-06 2.1863455E-04 8.9175652E-03 1.7212521E-01 32 8.0715616E-02 1.6829084E-07 -4.0973902E-06 4.8746315E-06 -1.0560236E-04 1.8537133E-03 5.2495810E-01 33 4.1077918E-02 -9.0477717E-08 1.5957270E-06 -1.2360401E-06 3.0222793E-05 8.9966584E-04 4.6003742E-01 34 2.0835747E-02 1.1308944E-08 -4.0854653E-07 5.2787763E-07 -1.0953039E-05 2.3166369E-04 9.7763846E-02 2p 3p 4p 5p 6p 1 5.1923029E+07 2.8077701E-06 -1.4025117E-06 6.7535256E-07 -2.3860495E-07 5.5773572E-08 2 1.4040388E+07 1.0565932E-05 -5.2793654E-06 2.5357219E-06 -8.9382573E-07 2.0905787E-07 3 4.2135165E+06 2.6652377E-05 -1.3356207E-05 6.4339418E-06 -2.2731645E-06 5.3136904E-07 4 1.3773759E+06 6.2255099E-05 -3.1194801E-05 1.4991556E-05 -5.2849947E-06 1.2361337E-06 5 4.8194765E+05 1.4152639E-04 -7.1209789E-05 3.4327830E-05 -1.2129861E-05 2.8355108E-06 6 1.7859320E+05 3.2105737E-04 -1.6181040E-04 7.7863122E-05 -2.7459182E-05 6.4225395E-06 7 6.9640759E+04 7.4103181E-04 -3.7550238E-04 1.8123221E-04 -6.4047662E-05 1.4972934E-05 8 2.8521024E+04 1.7676774E-03 -8.9935126E-04 4.3372437E-04 -1.5305154E-04 3.5797300E-05 9 1.2268789E+04 4.4028788E-03 -2.2561524E-03 1.0911720E-03 -3.8572887E-04 9.0184422E-05 10 5.5412739E+03 1.1281364E-02 -5.8286427E-03 2.8212356E-03 -9.9646034E-04 2.3306614E-04 11 2.6212071E+03 2.8684316E-02 -1.5023550E-02 7.3003333E-03 -2.5828528E-03 6.0395899E-04 12 1.2927642E+03 6.8777758E-02 -3.6829717E-02 1.7976921E-02 -6.3606072E-03 1.4879149E-03 13 6.6114348E+02 1.4616932E-01 -8.1009885E-02 3.9889847E-02 -1.4151557E-02 3.3099592E-03 14 3.4833832E+02 2.5445789E-01 -1.4769763E-01 7.3535716E-02 -2.6120737E-02 6.1130868E-03 15 1.8814571E+02 3.2391075E-01 -1.9387925E-01 9.7448426E-02 -3.4736368E-02 8.1262495E-03 16 1.0339769E+02 2.5114585E-01 -9.7104225E-02 3.9004452E-02 -1.3038197E-02 3.0393641E-03 17 5.7466612E+01 9.2571782E-02 2.0375833E-01 -1.5321067E-01 5.8598030E-02 -1.3825895E-02 18 3.2612497E+01 1.0851799E-02 4.7182140E-01 -3.7445059E-01 1.4714590E-01 -3.4726893E-02 19 1.8775041E+01 8.0940115E-04 3.5632764E-01 -2.4588894E-01 8.8783464E-02 -2.0836694E-02 20 1.0762009E+01 -2.9806690E-04 1.0399247E-01 2.5114121E-01 -1.3491115E-01 3.2845438E-02 21 6.0430677E+00 6.1050780E-05 9.9095639E-03 5.5867659E-01 -3.0679656E-01 7.4808514E-02 22 3.3661019E+00 -9.2065514E-05 9.6170451E-04 3.5981612E-01 -2.1207375E-01 5.2602434E-02 23 1.8111233E+00 4.2667720E-05 5.2240848E-06 7.6660999E-02 1.6574895E-01 -4.9047754E-02 24 9.6723467E-01 -2.5785958E-05 3.6671689E-05 3.4480694E-03 4.7008933E-01 -1.3611014E-01 25 5.1314039E-01 1.5885687E-05 -3.0609747E-05 1.0665178E-03 4.0937512E-01 -1.5565155E-01 26 2.6998329E-01 -8.2601924E-06 1.3761940E-05 -2.8684828E-04 1.5320747E-01 -4.7019563E-02 27 1.2801326E-01 4.1776655E-06 -7.3024181E-06 1.2362922E-04 2.0413823E-02 2.2706302E-01 28 6.2429645E-02 -2.2684440E-06 3.9975307E-06 -7.8604812E-05 9.7578729E-04 4.6544708E-01 29 3.0288827E-02 1.0293273E-06 -1.7543027E-06 3.1598988E-05 8.1473797E-04 3.8161065E-01 30 1.4607384E-02 -2.8889462E-07 5.1235625E-07 -9.4857051E-06 -8.3549968E-05 7.8623836E-02 3d 4d 5d 1 4.7932975E+04 1.6346022E-05 -8.0074559E-06 1.6157059E-06 2 1.1632815E+04 1.0682195E-04 -5.2325016E-05 1.0532966E-05 3 3.9247206E+03 5.9345431E-04 -2.9199068E-04 5.8929310E-05 4 1.5820406E+03 2.8545604E-03 -1.4070526E-03 2.8359787E-04 5 7.1497572E+02 1.1601907E-02 -5.7647143E-03 1.1647951E-03 6 3.4923989E+02 3.8619790E-02 -1.9336545E-02 3.9067983E-03 7 1.7991310E+02 1.0358875E-01 -5.2839220E-02 1.0717754E-02 8 9.6415585E+01 2.1413803E-01 -1.1001701E-01 2.2305207E-02 9 5.2908824E+01 3.2183933E-01 -1.6118289E-01 3.2636014E-02 10 2.9588123E+01 3.1563264E-01 -1.2265921E-01 2.3292515E-02 11 1.6608483E+01 1.6816809E-01 9.6700290E-02 -2.7000711E-02 12 9.1942898E+00 3.9871686E-02 3.5513198E-01 -8.5774855E-02 13 5.0022545E+00 3.3752647E-03 4.1454155E-01 -9.7591293E-02 14 2.6528481E+00 5.2971680E-04 2.3646248E-01 -2.2806540E-02 15 1.3396017E+00 5.9214737E-05 5.5757219E-02 1.4204360E-01 16 6.2908545E-01 3.1777140E-05 3.6448041E-03 3.0673548E-01 17 2.8196997E-01 -6.6163833E-06 4.2663659E-04 3.7851639E-01 18 1.2054260E-01 2.4044441E-06 -3.8329141E-05 3.1466045E-01 19 4.8354729E-02 -1.2217999E-06 4.0299092E-05 1.3967303E-01 4f 1 9.8605349E+02 1.4635591E-04 2 3.3709097E+02 1.4267839E-03 3 1.4392596E+02 8.2330246E-03 4 6.9004994E+01 3.1718473E-02 5 3.4971760E+01 8.7500358E-02 6 1.8367110E+01 1.8131221E-01 7 9.7118702E+00 2.7269248E-01 8 5.0133492E+00 3.1529370E-01 9 2.4539427E+00 2.8130346E-01 10 1.0876844E+00 1.7733744E-01 11 4.0757909E-01 5.3172814E-02 12 1.4970359E-01 1.3066711E-03 ** Ta 181 ** Large component functions ------------------------- 1s 2s 3s 4s 5s 6s 1 6.4638514E+07 1.2395691E-04 -4.6835276E-05 2.2191287E-05 -1.0866494E-05 -4.3523739E-06 -1.2112389E-06 2 1.7191660E+07 2.9586195E-04 -1.1215164E-04 5.3167382E-05 -2.6037826E-05 -1.0429483E-05 -2.9024906E-06 3 5.8821453E+06 5.9669850E-04 -2.2699970E-04 1.0767188E-04 -5.2737720E-05 -2.1124052E-05 -5.8787175E-06 4 2.2386972E+06 1.1035343E-03 -4.2212418E-04 2.0040476E-04 -9.8177959E-05 -3.9329168E-05 -1.0945365E-05 5 9.3109986E+05 2.0180390E-03 -7.7687580E-04 3.6917483E-04 -1.8090229E-04 -7.2465321E-05 -2.0166839E-05 6 4.0882372E+05 3.6488938E-03 -1.4164033E-03 6.7400725E-04 -3.3037336E-04 -1.3236640E-04 -3.6838865E-05 7 1.8764755E+05 6.6559742E-03 -2.6084841E-03 1.2429901E-03 -6.0949212E-04 -2.4417184E-04 -6.7952490E-05 8 8.8873082E+04 1.2220982E-02 -4.8452027E-03 2.3133767E-03 -1.1348134E-03 -4.5478252E-04 -1.2657612E-04 9 4.3219270E+04 2.2578688E-02 -9.0802711E-03 4.3444601E-03 -2.1323575E-03 -8.5437517E-04 -2.3777257E-04 10 2.1466929E+04 4.1595364E-02 -1.7052474E-02 8.1864666E-03 -4.0209578E-03 -1.6120429E-03 -4.4869843E-04 11 1.0863421E+04 7.5026580E-02 -3.1662739E-02 1.5269606E-02 -7.5090416E-03 -3.0096213E-03 -8.3760050E-04 12 5.5960817E+03 1.2821220E-01 -5.6711500E-02 2.7583319E-02 -1.3590053E-02 -5.4531156E-03 -1.5180514E-03 13 2.9373561E+03 1.9701932E-01 -9.4352976E-02 4.6514503E-02 -2.2996955E-02 -9.2260126E-03 -2.5679155E-03 14 1.5726624E+03 2.5101932E-01 -1.3640300E-01 6.8904683E-02 -3.4257246E-02 -1.3781699E-02 -3.8382931E-03 15 8.5889297E+02 2.3298555E-01 -1.4728242E-01 7.6620745E-02 -3.8398394E-02 -1.5429530E-02 -4.2945617E-03 16 4.7870086E+02 1.2843896E-01 -5.6786901E-02 2.7322334E-02 -1.3366993E-02 -5.4368687E-03 -1.5198855E-03 17 2.7574448E+02 3.0624164E-02 1.6022696E-01 -1.2015871E-01 6.5346109E-02 2.7047360E-02 7.5722683E-03 18 1.6964466E+02 3.6446476E-03 3.2351598E-01 -2.7946448E-01 1.5964114E-01 6.5619513E-02 1.8301900E-02 19 1.1261962E+02 -5.3936509E-04 3.3313578E-01 -3.5591183E-01 2.1115557E-01 8.9471278E-02 2.5145974E-02 20 7.2371181E+01 5.5292163E-04 2.6721765E-01 -2.9815974E-01 1.8976279E-01 7.9717570E-02 2.2271636E-02 21 4.2325898E+01 -4.2332345E-04 7.6382632E-02 2.0571647E-01 -1.7822420E-01 -7.8562505E-02 -2.2071995E-02 22 2.6578434E+01 2.7101505E-04 -3.3489703E-04 6.4084411E-01 -7.1707168E-01 -3.5614116E-01 -1.0233549E-01 23 1.6211799E+01 -1.9698235E-04 3.2418802E-03 4.4024915E-01 -5.9263352E-01 -2.8611793E-01 -8.1392432E-02 24 9.7428880E+00 1.2669306E-04 -1.6865632E-03 1.0320185E-01 2.2706981E-01 1.4403064E-01 4.1545748E-02 25 5.6927686E+00 -7.4138357E-05 7.8803581E-04 8.5296818E-03 7.9170203E-01 6.1975129E-01 1.9198574E-01 26 3.2966756E+00 5.1012995E-05 -5.7746660E-04 7.9173849E-04 4.5753339E-01 5.3751599E-01 1.7830387E-01 27 1.9110337E+00 -3.3960278E-05 3.6944937E-04 1.7550238E-04 6.8308792E-02 -7.1442425E-02 -3.1589362E-02 28 1.1247795E+00 2.0817154E-05 -2.2110445E-04 -1.6029756E-04 6.6096281E-03 -6.0002858E-01 -2.4688125E-01 29 6.3622230E-01 -1.1416459E-05 1.2355511E-04 2.6965272E-05 -6.3241672E-04 -5.5541781E-01 -3.2042840E-01 30 3.6230173E-01 5.2144327E-06 -5.5536713E-05 -3.6635221E-05 8.1399900E-04 -1.7475475E-01 -1.8391829E-01 31 1.6667233E-01 -2.1611533E-06 2.3169497E-05 1.1459265E-05 -2.6106413E-04 -1.8740635E-02 1.7777923E-01 32 8.6724950E-02 1.2166335E-06 -1.3083348E-05 -6.1541886E-06 1.4579051E-04 2.3795038E-03 5.1726472E-01 33 4.4339877E-02 -5.0387013E-07 5.3678634E-06 3.5202517E-06 -7.5349211E-05 -2.5898994E-03 4.5009108E-01 34 2.2403507E-02 1.2006938E-07 -1.2957730E-06 -5.4851206E-07 1.3624650E-05 1.3736196E-04 9.8769591E-02 2p 3p 4p 5p 6p 1 5.2419849E+07 3.6141285E-06 -1.8276290E-06 8.8368117E-07 -3.1902514E-07 7.5516918E-08 2 1.4285350E+07 1.2247751E-05 -6.1940831E-06 2.9948804E-06 -1.0811547E-06 2.5592597E-07 3 4.3127118E+06 2.9563040E-05 -1.4954861E-05 7.2314753E-06 -2.6107686E-06 6.1799768E-07 4 1.4163009E+06 6.5652143E-05 -3.3227246E-05 1.6068094E-05 -5.8006500E-06 1.3731193E-06 5 4.9732819E+05 1.4141765E-04 -7.1639338E-05 3.4653491E-05 -1.2512259E-05 2.9617707E-06 6 1.8488054E+05 3.0563275E-04 -1.5509307E-04 7.5042651E-05 -2.7092341E-05 6.4134603E-06 7 7.2301995E+04 6.8275668E-04 -3.4746887E-04 1.6826354E-04 -6.0772974E-05 1.4385474E-05 8 2.9664024E+04 1.6148595E-03 -8.2549306E-04 4.0006495E-04 -1.4446868E-04 3.4201808E-05 9 1.2764385E+04 4.0620189E-03 -2.0891339E-03 1.0141709E-03 -3.6651433E-04 8.6758713E-05 10 5.7608252E+03 1.0589859E-02 -5.4929217E-03 2.6708724E-03 -9.6506657E-04 2.2849454E-04 11 2.7223146E+03 2.7360503E-02 -1.4376705E-02 7.0142106E-03 -2.5376671E-03 6.0074888E-04 12 1.3416600E+03 6.6444110E-02 -3.5679473E-02 1.7489403E-02 -6.3295676E-03 1.4989192E-03 13 6.8597086E+02 1.4264122E-01 -7.9210140E-02 3.9157425E-02 -1.4206682E-02 3.3640113E-03 14 3.6145308E+02 2.5052294E-01 -1.4559766E-01 7.2772701E-02 -2.6439061E-02 6.2641881E-03 15 1.9527396E+02 3.2180811E-01 -1.9273872E-01 9.7221065E-02 -3.5440084E-02 8.3936985E-03 16 1.0735336E+02 2.5211410E-01 -9.8802034E-02 4.0128438E-02 -1.3742638E-02 3.2422163E-03 17 5.9724273E+01 9.4175333E-02 2.0011877E-01 -1.5180311E-01 5.9491809E-02 -1.4221120E-02 18 3.3913452E+01 1.1369125E-02 4.7049588E-01 -3.7510934E-01 1.5094724E-01 -3.6093862E-02 19 1.9529268E+01 7.9905767E-04 3.5825059E-01 -2.4881840E-01 9.2055344E-02 -2.1876552E-02 20 1.1201366E+01 -2.7097132E-04 1.0535117E-01 2.4974544E-01 -1.3804904E-01 3.4135090E-02 21 6.2926421E+00 4.7709524E-05 1.0162812E-02 5.6094976E-01 -3.1744998E-01 7.8679761E-02 22 3.5130231E+00 -8.3619913E-05 9.1950082E-04 3.5947132E-01 -2.1862492E-01 5.5110695E-02 23 1.9027204E+00 3.8712176E-05 1.5607488E-05 7.5917035E-02 1.7758059E-01 -5.4068601E-02 24 1.0203565E+00 -2.2630776E-05 2.0285885E-05 3.6510684E-03 4.8362722E-01 -1.4490626E-01 25 5.4290210E-01 1.4063107E-05 -2.5155111E-05 9.0226977E-04 4.0273696E-01 -1.5618490E-01 26 2.8497737E-01 -7.0264212E-06 8.8975618E-06 -2.0273625E-04 1.4322483E-01 -2.9819697E-02 27 1.3419367E-01 3.5566398E-06 -5.3681182E-06 8.4927746E-05 1.8142302E-02 2.4516247E-01 28 6.5096558E-02 -1.9336343E-06 2.8676906E-06 -5.6358958E-05 9.7512755E-04 4.6129224E-01 29 3.1636489E-02 8.8876309E-07 -1.2494574E-06 2.1878472E-05 6.5254120E-04 3.6640236E-01 30 1.5290393E-02 -2.5081854E-07 3.7578297E-07 -6.8098870E-06 -5.7289028E-05 7.5937652E-02 3d 4d 5d 1 5.0409736E+04 1.4538477E-05 -7.1810755E-06 1.6037637E-06 2 1.2221890E+04 9.7081032E-05 -4.7942108E-05 1.0705076E-05 3 4.1163339E+03 5.5352714E-04 -2.7453101E-04 6.1350358E-05 4 1.6559855E+03 2.7123355E-03 -1.3473684E-03 3.0112448E-04 5 7.4718049E+02 1.1166713E-02 -5.5907542E-03 1.2511401E-03 6 3.6459596E+02 3.7551682E-02 -1.8942604E-02 4.2433340E-03 7 1.8772941E+02 1.0155633E-01 -5.2180149E-02 1.1723629E-02 8 1.0059430E+02 2.1155189E-01 -1.0951935E-01 2.4625500E-02 9 5.5213666E+01 3.2029576E-01 -1.6174506E-01 3.6260273E-02 10 3.0885766E+01 3.1654563E-01 -1.2464750E-01 2.6295125E-02 11 1.7343109E+01 1.7015948E-01 9.4696796E-02 -2.9894697E-02 12 9.6073363E+00 4.0772012E-02 3.5541707E-01 -9.5458537E-02 13 5.2355996E+00 3.4669735E-03 4.1612034E-01 -1.0981032E-01 14 2.7855958E+00 5.3128844E-04 2.3572774E-01 -2.2373544E-02 15 1.4134921E+00 4.6241864E-05 5.4213739E-02 1.6145823E-01 16 6.7975565E-01 2.9710907E-05 3.3235009E-03 3.2831675E-01 17 3.1299064E-01 -8.9400016E-06 5.1628755E-04 3.7750951E-01 18 1.3717444E-01 2.2912398E-06 -3.4881431E-05 2.8622525E-01 19 5.6247070E-02 -1.4684392E-06 5.3532230E-05 1.1152280E-01 4f 1 1.0869211E+03 1.2656693E-04 2 3.7092503E+02 1.2619639E-03 3 1.5835812E+02 7.4056479E-03 4 7.5984092E+01 2.9231349E-02 5 3.8612612E+01 8.2217186E-02 6 2.0337262E+01 1.7468983E-01 7 1.0812057E+01 2.6951549E-01 8 5.6262001E+00 3.1745042E-01 9 2.7897356E+00 2.8513372E-01 10 1.2637906E+00 1.7607116E-01 11 4.9140560E-01 5.0564111E-02 12 1.8408649E-01 1.5413265E-03 Pseudo-large component functions -------------------------------- 1s 2s 3s 4s 5s 6s 1 6.4638514E+07 3.1419783E-06 -1.1843438E-06 5.6093754E-07 -2.7465278E-07 -1.1000102E-07 -3.0612207E-08 2 1.7191660E+07 2.0788721E-05 -7.8367016E-06 3.7119155E-06 -1.8174619E-06 -7.2797730E-07 -2.0259440E-07 3 5.8821453E+06 6.8031432E-05 -2.5658155E-05 1.2153289E-05 -5.9507779E-06 -2.3832840E-06 -6.6323928E-07 4 2.2386972E+06 2.0134866E-04 -7.5979247E-05 3.5995131E-05 -1.7624883E-05 -7.0599817E-06 -1.9648069E-06 5 9.3109986E+05 5.2186018E-04 -1.9712835E-04 9.3393171E-05 -4.5732380E-05 -1.8315025E-05 -5.0967767E-06 6 4.0882372E+05 1.3005236E-03 -4.9197537E-04 2.3317801E-04 -1.1418540E-04 -4.5743017E-05 -1.2730647E-05 7 1.8764755E+05 3.0609974E-03 -1.1610894E-03 5.5045240E-04 -2.6958992E-04 -1.0796326E-04 -3.0044029E-05 8 8.8873082E+04 6.9924595E-03 -2.6640618E-03 1.2642437E-03 -6.1926583E-04 -2.4811252E-04 -6.9053685E-05 9 4.3219270E+04 1.5336396E-02 -5.8906403E-03 2.7985462E-03 -1.3713322E-03 -5.4920754E-04 -1.5283302E-04 10 2.1466929E+04 3.2395568E-02 -1.2620224E-02 6.0123776E-03 -2.9477550E-03 -1.1813740E-03 -3.2881241E-04 11 1.0863421E+04 6.4735362E-02 -2.5878726E-02 1.2379928E-02 -6.0765910E-03 -2.4343288E-03 -6.7744093E-04 12 5.5960817E+03 1.1932151E-01 -4.9924424E-02 2.4087982E-02 -1.1845610E-02 -4.7513223E-03 -1.3226215E-03 13 2.9373561E+03 1.9328267E-01 -8.7599172E-02 4.2854940E-02 -2.1150223E-02 -8.4814383E-03 -2.3605173E-03 14 1.5726624E+03 2.5529089E-01 -1.3158979E-01 6.6028276E-02 -3.2776526E-02 -1.3181758E-02 -3.6710536E-03 15 8.5889297E+02 2.4236576E-01 -1.4628946E-01 7.5785095E-02 -3.7945185E-02 -1.5244300E-02 -4.2428832E-03 16 4.7870086E+02 1.3547840E-01 -5.9609939E-02 2.9269009E-02 -1.4409102E-02 -5.8622071E-03 -1.6385429E-03 17 2.7574448E+02 3.2462844E-02 1.5698211E-01 -1.1642907E-01 6.3162784E-02 2.6136544E-02 7.3172876E-03 18 1.6964466E+02 3.9756060E-03 3.2324099E-01 -2.7672131E-01 1.5779152E-01 6.4828025E-02 1.8079691E-02 19 1.1261962E+02 -7.0182928E-04 3.3487072E-01 -3.5499359E-01 2.1035017E-01 8.9110254E-02 2.5043839E-02 20 7.2371181E+01 6.9111925E-04 2.6939314E-01 -2.9934678E-01 1.9047110E-01 8.0011692E-02 2.2353998E-02 21 4.2325898E+01 -5.3873654E-04 7.7170756E-02 2.0400622E-01 -1.7622586E-01 -7.7591629E-02 -2.1794444E-02 22 2.6578434E+01 3.7446340E-04 -3.6627829E-04 6.4146322E-01 -7.1633015E-01 -3.5565449E-01 -1.0219150E-01 23 1.6211799E+01 -2.7956259E-04 3.2916746E-03 4.4104577E-01 -5.9302617E-01 -2.8632331E-01 -8.1452344E-02 24 9.7428880E+00 1.9086101E-04 -1.7176183E-03 1.0351519E-01 2.2659366E-01 1.4364808E-01 4.1429736E-02 25 5.6927686E+00 -1.2430364E-04 8.0809942E-04 8.4943858E-03 7.9188229E-01 6.1960414E-01 1.9192802E-01 26 3.2966756E+00 9.2859682E-05 -5.9269682E-04 8.3593012E-04 4.5772603E-01 5.3756360E-01 1.7831649E-01 27 1.9110337E+00 -6.9865336E-05 3.8142229E-04 1.3845172E-04 6.8362664E-02 -7.1378132E-02 -3.1559037E-02 28 1.1247795E+00 4.9357633E-05 -2.2991488E-04 -1.3068902E-04 6.5976105E-03 -6.0003907E-01 -2.4687019E-01 29 6.3622230E-01 -3.1752280E-05 1.2946363E-04 5.5923562E-06 -6.2201022E-04 -5.5544508E-01 -3.2042575E-01 30 3.6230173E-01 1.7636816E-05 -5.8956775E-05 -2.3486585E-05 8.0759552E-04 -1.7476918E-01 -1.8392246E-01 31 1.6667233E-01 -9.8285380E-06 2.5166286E-05 3.2572712E-06 -2.5696369E-04 -1.8740357E-02 1.7777701E-01 32 8.6724950E-02 7.3843620E-06 -1.4632915E-05 4.8662511E-07 1.4243407E-04 2.3785831E-03 5.1726497E-01 33 4.4339877E-02 -4.3133576E-06 6.2983467E-06 -6.0279224E-07 -7.3247396E-05 -2.5892781E-03 4.5009272E-01 34 2.2403507E-02 1.5367734E-06 -1.6344199E-06 9.9088376E-07 1.2835025E-05 1.3711131E-04 9.8770072E-02 2p 3p 4p 5p 6p 1 5.2419849E+07 2.1231717E-08 -1.0746210E-08 5.1990073E-09 -1.8782538E-09 4.4451590E-10 2 1.4285350E+07 1.4769788E-07 -7.4802352E-08 3.6165932E-08 -1.3048843E-08 3.0894626E-09 3 4.3127118E+06 7.0545799E-07 -3.5762173E-07 1.7307541E-07 -6.2529956E-08 1.4798862E-08 4 1.4163009E+06 2.9951162E-06 -1.5204032E-06 7.3546400E-07 -2.6537944E-07 6.2832884E-08 5 4.9732819E+05 1.2116259E-05 -6.1606470E-06 2.9835149E-06 -1.0780441E-06 2.5514343E-07 6 1.8488054E+05 4.7689990E-05 -2.4295067E-05 1.1762112E-05 -4.2451367E-06 1.0051013E-06 7 7.2301995E+04 1.8327500E-04 -9.3565330E-05 4.5350687E-05 -1.6388029E-05 3.8787992E-06 8 2.9664024E+04 6.7930486E-04 -3.4771728E-04 1.6853627E-04 -6.0848177E-05 1.4406549E-05 9 1.2764385E+04 2.3852421E-03 -1.2255988E-03 5.9488505E-04 -2.1501254E-04 5.0893432E-05 10 5.7608252E+03 7.7638204E-03 -4.0152270E-03 1.9508826E-03 -7.0474062E-04 1.6686090E-04 11 2.7223146E+03 2.2985863E-02 -1.2027610E-02 5.8627211E-03 -2.1207823E-03 5.0203957E-04 12 1.3416600E+03 6.0448311E-02 -3.2308745E-02 1.5819932E-02 -5.7239173E-03 1.3554772E-03 13 6.8597086E+02 1.3579577E-01 -7.5080905E-02 3.7081093E-02 -1.3451060E-02 3.1850036E-03 14 3.6145308E+02 2.4457842E-01 -1.4164182E-01 7.0740559E-02 -2.5696355E-02 6.0881460E-03 15 1.9527396E+02 3.1840634E-01 -1.9039043E-01 9.6026024E-02 -3.5004541E-02 8.2905230E-03 16 1.0735336E+02 2.5045229E-01 -9.8670532E-02 4.0294684E-02 -1.3822940E-02 3.2617210E-03 17 5.9724273E+01 9.2365611E-02 1.9932512E-01 -1.5083567E-01 5.9087238E-02 -1.4123898E-02 18 3.3913452E+01 9.3498873E-03 4.7052706E-01 -3.7455006E-01 1.5068599E-01 -3.6030557E-02 19 1.9529268E+01 -1.0348836E-03 3.5887403E-01 -2.4922188E-01 9.2244144E-02 -2.1922531E-02 20 1.1201366E+01 -1.9148237E-03 1.0560191E-01 2.4925924E-01 -1.3777778E-01 3.4068009E-02 21 6.2926421E+00 -1.4094970E-03 1.0259745E-02 5.6073897E-01 -3.1728349E-01 7.8637272E-02 22 3.5130231E+00 -1.3810591E-03 9.6383003E-04 3.5938941E-01 -2.1859756E-01 5.5105036E-02 23 1.9027204E+00 -1.1112918E-03 7.4706989E-05 7.5750401E-02 1.7758786E-01 -5.4065692E-02 24 1.0203565E+00 -1.0478658E-03 5.6371743E-05 3.4948446E-03 4.8365112E-01 -1.4490718E-01 25 5.4290210E-01 -7.9491982E-04 1.5775984E-05 7.6605539E-04 4.0277375E-01 -1.5619038E-01 26 2.8497737E-01 -8.8393419E-04 4.2043479E-05 -3.3961894E-04 1.4325299E-01 -2.9828571E-02 27 1.3419367E-01 -6.0984253E-04 2.4154539E-05 -1.6997413E-05 1.8161417E-02 2.4515493E-01 28 6.5096558E-02 -8.0831867E-04 3.4891909E-05 -1.8371640E-04 9.9677799E-04 4.6128442E-01 29 3.1636489E-02 -4.7736577E-05 2.6001601E-06 1.2317771E-05 6.5462840E-04 3.6640237E-01 30 1.5290393E-02 -1.0091037E-03 4.2873075E-05 -1.6852271E-04 -2.9224126E-05 7.5928023E-02 3d 4d 5d 1 5.0409736E+04 3.5598756E-06 -1.7633692E-06 3.9404718E-07 2 1.2221890E+04 4.9725894E-05 -2.4538459E-05 5.4782567E-06 3 4.1163339E+03 4.0170604E-04 -1.9919877E-04 4.4515599E-05 4 1.6559855E+03 2.3178103E-03 -1.1502764E-03 2.5703660E-04 5 7.4718049E+02 1.0317478E-02 -5.1611390E-03 1.1548544E-03 6 3.6459596E+02 3.6069699E-02 -1.8178618E-02 4.0716428E-03 7 1.8772941E+02 9.9515956E-02 -5.1092473E-02 1.1477970E-02 8 1.0059430E+02 2.0946931E-01 -1.0838659E-01 2.4369141E-02 9 5.5213666E+01 3.1882426E-01 -1.6097213E-01 3.6086476E-02 10 3.0885766E+01 3.1594398E-01 -1.2451851E-01 2.6277214E-02 11 1.7343109E+01 1.6989122E-01 9.4411968E-02 -2.9806718E-02 12 9.6073363E+00 4.0525797E-02 3.5517135E-01 -9.5382143E-02 13 5.2355996E+00 3.2701792E-03 4.1603290E-01 -1.0978161E-01 14 2.7855958E+00 4.0092933E-04 2.3570236E-01 -2.2385857E-02 15 1.4134921E+00 -4.0753751E-05 5.4180336E-02 1.6143595E-01 16 6.7975565E-01 -2.2529134E-05 3.2983131E-03 3.2830122E-01 17 3.1299064E-01 -4.1453504E-05 4.9984872E-04 3.7750176E-01 18 1.3717444E-01 -1.3952993E-05 -4.2837585E-05 2.8622210E-01 19 5.6247070E-02 -1.5096693E-05 4.6649797E-05 1.1152040E-01 4f 1 1.0869211E+03 1.0988261E-04 2 3.7092503E+02 1.1974791E-03 3 1.5835812E+02 7.2327449E-03 4 7.5984092E+01 2.8913226E-02 5 3.8612612E+01 8.1785303E-02 6 2.0337262E+01 1.7425815E-01 7 1.0812057E+01 2.6920163E-01 8 5.6262001E+00 3.1727460E-01 9 2.7897356E+00 2.8505617E-01 10 1.2637906E+00 1.7604266E-01 11 4.9140560E-01 5.0554763E-02 12 1.8408649E-01 1.5380698E-03 Foldy-Wouthuysen functions -------------------------- 1s 2s 3s 4s 5s 6s 1 6.4638514E+07 3.2607030E-04 -1.2513664E-04 5.9387199E-05 -2.9102253E-05 -1.1656044E-05 -3.2441432E-06 2 1.7191660E+07 7.2541183E-04 -2.7880652E-04 1.3234298E-04 -6.4849141E-05 -2.5973624E-05 -7.2290695E-06 3 5.8821453E+06 1.3326907E-03 -5.1288313E-04 2.4348870E-04 -1.1933979E-04 -4.7799517E-05 -1.3303659E-05 4 2.2386972E+06 2.2658932E-03 -8.7472001E-04 4.1549873E-04 -2.0360081E-04 -8.1551276E-05 -2.2697626E-05 5 9.3109986E+05 3.7644637E-03 -1.4581352E-03 6.9297873E-04 -3.3974427E-04 -1.3608824E-04 -3.7875921E-05 6 4.0882372E+05 6.1718734E-03 -2.4043887E-03 1.1440872E-03 -5.6071062E-04 -2.2461801E-04 -6.2515118E-05 7 1.8764755E+05 1.0184842E-02 -3.9947380E-03 1.9031424E-03 -9.3352119E-04 -3.7398177E-04 -1.0408099E-04 8 8.8873082E+04 1.6994123E-02 -6.7328478E-03 3.2145751E-03 -1.5763444E-03 -6.3166569E-04 -1.7581070E-04 9 4.3219270E+04 2.8832509E-02 -1.1572046E-02 5.5373085E-03 -2.7185907E-03 -1.0894140E-03 -3.0322075E-04 10 2.1466929E+04 4.9524150E-02 -2.0265710E-02 9.7330175E-03 -4.7787774E-03 -1.9158780E-03 -5.3329828E-04 11 1.0863421E+04 8.4659693E-02 -3.5687258E-02 1.7221799E-02 -8.4706860E-03 -3.3950552E-03 -9.4483199E-04 12 5.5960817E+03 1.3901084E-01 -6.1537619E-02 2.9961125E-02 -1.4757633E-02 -5.9201364E-03 -1.6478806E-03 13 2.9373561E+03 2.0723357E-01 -9.9599919E-02 4.9176404E-02 -2.4324696E-02 -9.7589027E-03 -2.7162354E-03 14 1.5726624E+03 2.5765186E-01 -1.4104438E-01 7.1411689E-02 -3.5522658E-02 -1.4294512E-02 -3.9813104E-03 15 8.5889297E+02 2.3397932E-01 -1.4960306E-01 7.8090849E-02 -3.9187785E-02 -1.5755079E-02 -4.3855728E-03 16 4.7870086E+02 1.2600181E-01 -5.5407003E-02 2.6768578E-02 -1.3098978E-02 -5.3303269E-03 -1.4901910E-03 17 2.7574448E+02 2.8774232E-02 1.6404410E-01 -1.2265274E-01 6.6666174E-02 2.7591481E-02 7.7245947E-03 18 1.6964466E+02 3.0868831E-03 3.2586955E-01 -2.8176509E-01 1.6107253E-01 6.6215678E-02 1.8468250E-02 19 1.1261962E+02 -7.5258300E-04 3.3367775E-01 -3.5722902E-01 2.1195784E-01 8.9819152E-02 2.5244687E-02 20 7.2371181E+01 5.1259731E-04 2.6694412E-01 -2.9812316E-01 1.8996648E-01 7.9820443E-02 2.2300530E-02 21 4.2325898E+01 -4.4371604E-04 7.5695164E-02 2.0746384E-01 -1.7946540E-01 -7.9093769E-02 -2.2220502E-02 22 2.6578434E+01 2.7408188E-04 -4.9855820E-04 6.4180491E-01 -7.1838974E-01 -3.5683698E-01 -1.0253738E-01 23 1.6211799E+01 -2.0479684E-04 3.1999779E-03 4.3997787E-01 -5.9248370E-01 -2.8603875E-01 -8.1368657E-02 24 9.7428880E+00 1.2411594E-04 -1.6870255E-03 1.0300109E-01 2.2766100E-01 1.4432467E-01 4.1628139E-02 25 5.6927686E+00 -7.9319566E-05 7.7968573E-04 8.4866255E-03 7.9192902E-01 6.1997321E-01 1.9205803E-01 26 3.2966756E+00 5.0587494E-05 -5.7742608E-04 7.8458155E-04 4.5744963E-01 5.3749542E-01 1.7830090E-01 27 1.9110337E+00 -3.5003829E-05 3.6622966E-04 1.7064489E-04 6.8273564E-02 -7.1515465E-02 -3.1613972E-02 28 1.1247795E+00 2.0909352E-05 -2.2066512E-04 -1.6001765E-04 6.6009668E-03 -6.0007368E-01 -2.4689978E-01 29 6.3622230E-01 -1.1777077E-05 1.2251853E-04 2.5822525E-05 -6.3207787E-04 -5.5541189E-01 -3.2043115E-01 30 3.6230173E-01 5.2032352E-06 -5.5418818E-05 -3.6438543E-05 8.1297732E-04 -1.7474776E-01 -1.8391560E-01 31 1.6667233E-01 -2.2465128E-06 2.2973487E-05 1.1272326E-05 -2.6112692E-04 -1.8739423E-02 1.7778283E-01 32 8.6724950E-02 1.2088261E-06 -1.3044276E-05 -6.0740775E-06 1.4559194E-04 2.3802893E-03 5.1726662E-01 33 4.4339877E-02 -5.2627261E-07 5.3258027E-06 3.4298367E-06 -7.5194825E-05 -2.5898855E-03 4.5009063E-01 34 2.2403507E-02 1.1502929E-07 -1.2973068E-06 -5.3054929E-07 1.3499141E-05 1.3729401E-04 9.8769260E-02 2p 3p 4p 5p 6p 1 5.2419849E+07 2.9208988E-06 -1.4628852E-06 7.0729491E-07 -2.5555225E-07 6.0471452E-08 2 1.4285350E+07 1.1009335E-05 -5.5160278E-06 2.6604839E-06 -9.5913274E-07 2.2710029E-07 3 4.3127118E+06 2.7692740E-05 -1.3915149E-05 6.7305685E-06 -2.4318524E-06 5.7547374E-07 4 1.4163009E+06 6.4501255E-05 -3.2410314E-05 1.5641106E-05 -5.6394239E-06 1.3353076E-06 5 4.9732819E+05 1.4612911E-04 -7.3727266E-05 3.5687011E-05 -1.2895964E-05 3.0517780E-06 6 1.8488054E+05 3.2985990E-04 -1.6671420E-04 8.0559945E-05 -2.9056544E-05 6.8800247E-06 7 7.2301995E+04 7.5702975E-04 -3.8467787E-04 1.8642603E-04 -6.7377583E-05 1.5945708E-05 8 2.9664024E+04 1.7955774E-03 -9.1616939E-04 4.4369726E-04 -1.6013303E-04 3.7915933E-05 9 1.2764385E+04 4.4474390E-03 -2.2855771E-03 1.1100037E-03 -4.0129409E-04 9.4981507E-05 10 5.7608252E+03 1.1338059E-02 -5.8753545E-03 2.8559170E-03 -1.0316704E-03 2.4428192E-04 11 2.7223146E+03 2.8710934E-02 -1.5081739E-02 7.3593931E-03 -2.6629301E-03 6.3037418E-04 12 1.3416600E+03 6.8628368E-02 -3.6855152E-02 1.8065951E-02 -6.5377598E-03 1.5482678E-03 13 6.8597086E+02 1.4558889E-01 -8.0899686E-02 4.0002451E-02 -1.4514587E-02 3.4368708E-03 14 3.6145308E+02 2.5344194E-01 -1.4745157E-01 7.3723697E-02 -2.6785680E-02 6.3464488E-03 15 1.9527396E+02 3.2342988E-01 -1.9398296E-01 9.7896739E-02 -3.5691070E-02 8.4531290E-03 16 1.0735336E+02 2.5208954E-01 -9.8601279E-02 3.9999769E-02 -1.3692400E-02 3.2304176E-03 17 5.9724273E+01 9.3762487E-02 2.0122579E-01 -1.5253627E-01 5.9773056E-02 -1.4288340E-02 18 3.3913452E+01 1.1235682E-02 4.7123906E-01 -3.7580288E-01 1.5123997E-01 -3.6164045E-02 19 1.9529268E+01 7.8354701E-04 3.5817207E-01 -2.4873811E-01 9.2013932E-02 -2.1866573E-02 20 1.1201366E+01 -2.7564032E-04 1.0523086E-01 2.5009495E-01 -1.3821189E-01 3.4174783E-02 21 6.2926421E+00 4.7407204E-05 1.0130371E-02 5.6109231E-01 -3.1754376E-01 7.8703490E-02 22 3.5130231E+00 -8.4225624E-05 9.1893796E-04 3.5943928E-01 -2.1861576E-01 5.5108914E-02 23 1.9027204E+00 3.8743590E-05 1.2707404E-05 7.5896071E-02 1.7762396E-01 -5.4080603E-02 24 1.0203565E+00 -2.2775570E-05 2.1457706E-05 3.6467658E-03 4.8364794E-01 -1.4491254E-01 25 5.4290210E-01 1.4085162E-05 -2.5983456E-05 9.0260838E-04 4.0273618E-01 -1.5618667E-01 26 2.8497737E-01 -7.0473844E-06 9.2359069E-06 -2.0317893E-04 1.4322196E-01 -2.9818104E-02 27 1.3419367E-01 3.5648492E-06 -5.5513177E-06 8.5087005E-05 1.8141740E-02 2.4516442E-01 28 6.5096558E-02 -1.9405230E-06 2.9652492E-06 -5.6460655E-05 9.7499144E-04 4.6129323E-01 29 3.1636489E-02 8.9123086E-07 -1.2955135E-06 2.1927524E-05 6.5254197E-04 3.6640226E-01 30 1.5290393E-02 -2.5161720E-07 3.8869931E-07 -6.8271789E-06 -5.7288178E-05 7.5937522E-02 3d 4d 5d 1 5.0409736E+04 1.6388882E-05 -8.0877259E-06 1.8057425E-06 2 1.2221890E+04 1.0610752E-04 -5.2365309E-05 1.1692913E-05 3 4.1163339E+03 5.8551271E-04 -2.9023497E-04 6.4851279E-05 4 1.6559855E+03 2.8092258E-03 -1.3951138E-03 3.1179170E-04 5 7.4718049E+02 1.1418980E-02 -5.7163173E-03 1.2792052E-03 6 3.6459596E+02 3.8077065E-02 -1.9207777E-02 4.3027750E-03 7 1.8772941E+02 1.0240402E-01 -5.2623471E-02 1.1823506E-02 8 1.0059430E+02 2.1254067E-01 -1.1004874E-01 2.4745181E-02 9 5.5213666E+01 3.2103432E-01 -1.6214552E-01 3.6351514E-02 10 3.0885766E+01 3.1678801E-01 -1.2472736E-01 2.6310602E-02 11 1.7343109E+01 1.7010957E-01 9.4918507E-02 -2.9954388E-02 12 9.6073363E+00 4.0734011E-02 3.5560960E-01 -9.5509264E-02 13 5.2355996E+00 3.4600778E-03 4.1618276E-01 -1.0982953E-01 14 2.7855958E+00 5.3120015E-04 2.3571874E-01 -2.2364679E-02 15 1.4134921E+00 4.5940154E-05 5.4207243E-02 1.6147342E-01 16 6.7975565E-01 2.9805058E-05 3.3224742E-03 3.2832563E-01 17 3.1299064E-01 -8.9903923E-06 5.1633404E-04 3.7751259E-01 18 1.3717444E-01 2.3094536E-06 -3.4929417E-05 2.8622567E-01 19 5.6247070E-02 -1.4739733E-06 5.3544329E-05 1.1152264E-01 4f 1 1.0869211E+03 1.3043833E-04 2 3.7092503E+02 1.2803968E-03 3 1.5835812E+02 7.4632028E-03 4 7.5984092E+01 2.9356325E-02 5 3.8612612E+01 8.2402151E-02 6 2.0337262E+01 1.7489450E-01 7 1.0812057E+01 2.6966055E-01 8 5.6262001E+00 3.1752470E-01 9 2.7897356E+00 2.8515799E-01 10 1.2637906E+00 1.7607458E-01 11 4.9140560E-01 5.0563556E-02 12 1.8408649E-01 1.5412618E-03 ** W 184 ** Large component functions ------------------------- 1s 2s 3s 4s 5s 6s 1 6.4137274E+07 1.3309889E-04 -5.0516431E-05 2.3981356E-05 -1.1781537E-05 4.7900013E-06 -1.3540802E-06 2 1.7067624E+07 3.1692723E-04 -1.2068722E-04 5.7323874E-05 -2.8165612E-05 1.1451676E-05 -3.2372870E-06 3 5.8454686E+06 6.3692382E-04 -2.4343075E-04 1.1569046E-04 -5.6851246E-05 2.3115198E-05 -6.5344523E-06 4 2.2274049E+06 1.1733714E-03 -4.5097989E-04 2.1452221E-04 -1.0544067E-04 4.2874239E-05 -1.2120352E-05 5 9.2735944E+05 2.1391932E-03 -8.2756047E-04 3.9404835E-04 -1.9372616E-04 7.8774570E-05 -2.2269068E-05 6 4.0726404E+05 3.8594512E-03 -1.5057898E-03 7.1797672E-04 -3.5309438E-04 1.4359590E-04 -4.0594956E-05 7 1.8676732E+05 7.0334489E-03 -2.7712386E-03 1.3233219E-03 -6.5102616E-04 2.6476164E-04 -7.4847465E-05 8 8.8268163E+04 1.2912246E-02 -5.1485767E-03 2.4633623E-03 -1.2124490E-03 4.9318167E-04 -1.3942918E-04 9 4.2812203E+04 2.3817924E-02 -9.6381559E-03 4.6218658E-03 -2.2760683E-03 9.2582517E-04 -2.6173389E-04 10 2.1231782E+04 4.3642295E-02 -1.8013700E-02 8.6675160E-03 -4.2718353E-03 1.7382335E-03 -4.9145249E-04 11 1.0750646E+04 7.8016949E-02 -3.3178048E-02 1.6041876E-02 -7.9155370E-03 3.2210808E-03 -9.1065264E-04 12 5.5500686E+03 1.3193228E-01 -5.8869393E-02 2.8708383E-02 -1.4194860E-02 5.7806338E-03 -1.6345888E-03 13 2.9201293E+03 2.0047135E-01 -9.6996152E-02 4.7974730E-02 -2.3802277E-02 9.6971739E-03 -2.7419373E-03 14 1.5655731E+03 2.5188425E-01 -1.3838285E-01 7.0130439E-02 -3.5002172E-02 1.4287772E-02 -4.0417877E-03 15 8.5493986E+02 2.2866524E-01 -1.4516483E-01 7.5762811E-02 -3.8089470E-02 1.5556537E-02 -4.3995696E-03 16 4.7528922E+02 1.2163401E-01 -4.4047945E-02 1.9332365E-02 -9.2669494E-03 3.7757944E-03 -1.0703050E-03 17 2.6897852E+02 2.7057375E-02 1.9847092E-01 -1.5038517E-01 8.2591925E-02 -3.4542413E-02 9.8128598E-03 18 1.5894220E+02 2.0213872E-03 3.9030504E-01 -3.5513034E-01 2.0547885E-01 -8.6501835E-02 2.4555200E-02 19 1.0297127E+02 -3.0924968E-04 2.8197544E-01 -3.1687131E-01 1.9178110E-01 -8.2504907E-02 2.3578293E-02 20 7.2276650E+01 4.3529213E-04 2.0679754E-01 -2.2760424E-01 1.4616655E-01 -6.2737101E-02 1.7787167E-02 21 4.4994511E+01 -3.3656337E-04 7.5406740E-02 1.7534968E-01 -1.5109694E-01 6.8145216E-02 -1.9451919E-02 22 2.8432570E+01 1.7529980E-04 3.1655999E-03 6.2789492E-01 -6.9520808E-01 3.4812008E-01 -1.0163977E-01 23 1.7374987E+01 -1.2315180E-04 2.0920760E-03 4.6886655E-01 -6.2961420E-01 3.1383357E-01 -9.1062692E-02 24 1.0330107E+01 7.5549534E-05 -9.7934601E-04 1.1730103E-01 1.8024462E-01 -1.2449616E-01 3.6700974E-02 25 6.0943725E+00 -4.1162461E-05 3.7137075E-04 7.6779953E-03 7.8094435E-01 -6.0641381E-01 1.9092295E-01 26 3.5592554E+00 2.6910028E-05 -2.9170370E-04 1.8525679E-03 4.9047345E-01 -5.9033026E-01 2.0010038E-01 27 1.9991832E+00 -1.5916126E-05 1.6090925E-04 -3.6133368E-04 8.1966587E-02 9.6935194E-02 -4.3785352E-02 28 1.1333452E+00 9.7033045E-06 -9.2940601E-05 1.5834244E-04 1.5450569E-03 6.6803768E-01 -2.9040933E-01 29 6.3294538E-01 -5.9491220E-06 5.9733311E-05 -1.5892869E-04 1.4394725E-03 5.2300082E-01 -3.2940063E-01 30 3.4800010E-01 3.2890889E-06 -3.2083483E-05 6.4608402E-05 -2.0480124E-04 1.3077898E-01 -1.4646615E-01 31 1.8739735E-01 -1.6764252E-06 1.6480302E-05 -3.6129576E-05 1.5302838E-04 8.5606487E-03 1.8754930E-01 32 9.5457425E-02 7.5817642E-07 -7.4988822E-06 1.6837904E-05 -7.0051085E-05 2.2225070E-03 5.0623045E-01 33 4.8435729E-02 -2.9494952E-07 2.8571248E-06 -5.5425902E-06 1.1486196E-05 9.7073890E-04 4.5939867E-01 34 2.4280403E-02 6.8757128E-08 -6.8622118E-07 1.6262099E-06 -7.6349351E-06 2.7090202E-04 1.0633907E-01 2p 3p 4p 5p 6p 1 5.3609439E+07 3.6571615E-06 -1.8543128E-06 9.0039384E-07 -3.3179065E-07 7.8696546E-08 2 1.4855009E+07 1.2461253E-05 -6.3187822E-06 3.0681127E-06 -1.1305162E-06 2.6814827E-07 3 4.5358814E+06 2.9942995E-05 -1.5187348E-05 7.3751247E-06 -2.7177778E-06 6.4462186E-07 4 1.5033066E+06 6.6090364E-05 -3.3537615E-05 1.6286773E-05 -6.0012657E-06 1.4234619E-06 5 5.3180668E+05 1.4140103E-04 -7.1820289E-05 3.4888995E-05 -1.2858296E-05 3.0498096E-06 6 1.9879132E+05 3.0334732E-04 -1.5433284E-04 7.4988948E-05 -2.7632915E-05 6.5545530E-06 7 7.8022969E+04 6.7127072E-04 -3.4249992E-04 1.6656469E-04 -6.1406706E-05 1.4564825E-05 8 3.2080496E+04 1.5686527E-03 -8.0386600E-04 3.9120699E-04 -1.4418949E-04 3.4204145E-05 9 1.3819183E+04 3.8961657E-03 -2.0087936E-03 9.7934322E-04 -3.6127496E-04 8.5691715E-05 10 6.2371520E+03 1.0062831E-02 -5.2315830E-03 2.5542726E-03 -9.4199517E-04 2.2347959E-04 11 2.9445083E+03 2.5899076E-02 -1.3635886E-02 6.6807582E-03 -2.4672259E-03 5.8526110E-04 12 1.4486417E+03 6.3041565E-02 -3.3892254E-02 1.6677578E-02 -6.1601661E-03 1.4617367E-03 13 7.3915063E+02 1.3649135E-01 -7.5819324E-02 3.7626963E-02 -1.3934691E-02 3.3063787E-03 14 3.8872466E+02 2.4339338E-01 -1.4135341E-01 7.0886962E-02 -2.6282607E-02 6.2396922E-03 15 2.0966698E+02 3.2045011E-01 -1.9255365E-01 9.7615064E-02 -3.6335370E-02 8.6242343E-03 16 1.1518899E+02 2.6090009E-01 -1.1136194E-01 4.7836185E-02 -1.6967899E-02 4.0144540E-03 17 6.4054716E+01 1.0343081E-01 1.7825540E-01 -1.3763729E-01 5.5157020E-02 -1.3221155E-02 18 3.6303223E+01 1.3568477E-02 4.6454993E-01 -3.7027004E-01 1.5217723E-01 -3.6490017E-02 19 2.0885271E+01 9.5007586E-04 3.7430876E-01 -2.7116709E-01 1.0422276E-01 -2.4862783E-02 20 1.1965242E+01 -3.0537385E-04 1.1628861E-01 2.2562624E-01 -1.2990353E-01 3.2318002E-02 21 6.7137508E+00 7.5882984E-05 1.1666866E-02 5.6229696E-01 -3.2530238E-01 8.1028918E-02 22 3.7556932E+00 -1.0709069E-04 9.9736537E-04 3.7405293E-01 -2.3651282E-01 6.0022834E-02 23 2.0459508E+00 5.3457160E-05 2.7416244E-07 8.2100288E-02 1.7169156E-01 -5.3601752E-02 24 1.1024597E+00 -3.1137886E-05 2.5788134E-05 4.2039942E-03 4.9135759E-01 -1.4958895E-01 25 5.8644331E-01 1.9044608E-05 -3.3818375E-05 9.2388970E-04 4.0715542E-01 -1.5614056E-01 26 3.0657991E-01 -9.3934629E-06 1.1236299E-05 -1.8861560E-04 1.4180246E-01 -2.3057127E-02 27 1.4414257E-01 4.7331123E-06 -7.1116542E-06 8.4583764E-05 1.7586319E-02 2.4530226E-01 28 6.9532302E-02 -2.5438532E-06 3.7013516E-06 -5.4598955E-05 9.7341762E-04 4.5610487E-01 29 3.3533384E-02 1.1621750E-06 -1.6167588E-06 2.0874326E-05 5.7901084E-04 3.6829502E-01 30 1.6049279E-02 -3.2803325E-07 4.8312364E-07 -6.5849737E-06 -4.4648074E-05 7.8383525E-02 3d 4d 5d 1 5.3980043E+04 1.4170346E-05 -7.0515205E-06 1.6982763E-06 2 1.3082378E+04 9.3229467E-05 -4.6391041E-05 1.1176354E-05 3 4.3946436E+03 5.2765077E-04 -2.6365351E-04 6.3535309E-05 4 1.7627043E+03 2.5817314E-03 -1.2922061E-03 3.1158936E-04 5 7.9340011E+02 1.0656180E-02 -5.3745485E-03 1.2970820E-03 6 3.8654776E+02 3.6022228E-02 -1.8304853E-02 4.4241258E-03 7 1.9886348E+02 9.8120774E-02 -5.0768499E-02 1.2301851E-02 8 1.0652881E+02 2.0661200E-01 -1.0782480E-01 2.6165826E-02 9 5.8479281E+01 3.1721169E-01 -1.6178120E-01 3.9121553E-02 10 3.2717024E+01 3.1989755E-01 -1.2993709E-01 2.9755468E-02 11 1.8383016E+01 1.7656789E-01 8.5127719E-02 -3.0029448E-02 12 1.0199655E+01 4.3832431E-02 3.5031255E-01 -1.0209643E-01 13 5.5717106E+00 3.8489308E-03 4.1986255E-01 -1.2077628E-01 14 2.9784222E+00 5.4877500E-04 2.4111113E-01 -2.6124066E-02 15 1.5234874E+00 3.8648974E-05 5.6021086E-02 1.7260899E-01 16 7.4464814E-01 2.8639152E-05 3.4957707E-03 3.4182751E-01 17 3.4869929E-01 -1.1168565E-05 5.7901486E-04 3.7572352E-01 18 1.5511823E-01 2.0629352E-06 -1.0673803E-05 2.6865633E-01 19 6.4363559E-02 -1.7289981E-06 6.1487156E-05 9.6550425E-02 4f 1 1.1794059E+03 1.1659999E-04 2 4.0180093E+02 1.1688185E-03 3 1.7150947E+02 6.9116409E-03 4 8.2325947E+01 2.7706964E-02 5 4.1919708E+01 7.8971743E-02 6 2.2128322E+01 1.7060383E-01 7 1.1814399E+01 2.6779505E-01 8 6.1885346E+00 3.1919058E-01 9 3.1019283E+00 2.8711364E-01 10 1.4303266E+00 1.7348569E-01 11 5.7199483E-01 4.7856038E-02 12 2.1756792E-01 1.6391391E-03 Pseudo-large component functions -------------------------------- 1s 2s 3s 4s 5s 6s 1 6.4137274E+07 3.3483344E-06 -1.2677781E-06 6.0160683E-07 -2.9552899E-07 1.2014862E-07 -3.3964377E-08 2 1.7067624E+07 2.2112444E-05 -8.3730185E-06 3.9734562E-06 -1.9519108E-06 7.9358649E-07 -2.2433952E-07 3 5.8454686E+06 7.2113043E-05 -2.7319894E-05 1.2965388E-05 -6.3691518E-06 2.5893902E-06 -7.3198226E-07 4 2.2274049E+06 2.1272994E-04 -8.0636173E-05 3.8273418E-05 -1.8802180E-05 7.6446010E-06 -2.1610782E-06 5 9.2735944E+05 5.4988412E-04 -2.0865952E-04 9.9049773E-05 -4.8660379E-05 1.9782821E-05 -5.5922697E-06 6 4.0726404E+05 1.3689930E-03 -5.2025164E-04 2.4704430E-04 -1.2137588E-04 4.9351432E-05 -1.3951517E-05 7 1.8676732E+05 3.2239218E-03 -1.2286085E-03 5.8362753E-04 -2.8676843E-04 1.1658719E-04 -3.2957076E-05 8 8.8268163E+04 7.3770822E-03 -2.8241022E-03 1.3427495E-03 -6.5991145E-04 2.6834540E-04 -7.5862116E-05 9 4.2812203E+04 1.6180948E-02 -6.2466522E-03 2.9739273E-03 -1.4620328E-03 5.9445483E-04 -1.6804270E-04 10 2.1231782E+04 3.4033068E-02 -1.3331524E-02 6.3642106E-03 -3.1308138E-03 1.2734326E-03 -3.6002013E-04 11 1.0750646E+04 6.7433678E-02 -2.7127591E-02 1.3008404E-02 -6.4062816E-03 2.6057054E-03 -7.3662134E-04 12 5.5500686E+03 1.2302438E-01 -5.1852757E-02 2.5079015E-02 -1.2376429E-02 5.0379637E-03 -1.4245022E-03 13 2.9201293E+03 1.9708042E-01 -9.0116150E-02 4.4223533E-02 -2.1901223E-02 8.9188423E-03 -2.5216907E-03 14 1.5655731E+03 2.5674415E-01 -1.3363671E-01 6.7265437E-02 -3.3519828E-02 1.3677945E-02 -3.8690917E-03 15 8.5493986E+02 2.3841749E-01 -1.4443544E-01 7.5080760E-02 -3.7714290E-02 1.5400360E-02 -4.3552817E-03 16 4.7528922E+02 1.2860382E-01 -4.7208353E-02 2.1596959E-02 -1.0491823E-02 4.2846433E-03 -1.2145847E-03 17 2.6897852E+02 2.8746364E-02 1.9515020E-01 -1.4623126E-01 8.0118989E-02 -3.3492584E-02 9.5141668E-03 18 1.5894220E+02 2.2571632E-03 3.9076041E-01 -3.5235909E-01 2.0351755E-01 -8.5641040E-02 2.4309262E-02 19 1.0297127E+02 -5.1480806E-04 2.8376523E-01 -3.1653231E-01 1.9138458E-01 -8.2319123E-02 2.3524567E-02 20 7.2276650E+01 6.4944653E-04 2.0861430E-01 -2.2874032E-01 1.4686106E-01 -6.3029044E-02 1.7870262E-02 21 4.4994511E+01 -4.9687240E-04 7.6175239E-02 1.7366744E-01 -1.4914777E-01 6.7183013E-02 -1.9172243E-02 22 2.8432570E+01 2.9854851E-04 3.2015102E-03 6.2833704E-01 -6.9426963E-01 3.4752621E-01 -1.0146171E-01 23 1.7374987E+01 -2.1213177E-04 2.1068002E-03 4.6979496E-01 -6.3002833E-01 3.1404015E-01 -9.1123630E-02 24 1.0330107E+01 1.4177134E-04 -9.8509226E-04 1.1761422E-01 1.7974083E-01 -1.2408817E-01 3.6575166E-02 25 6.0943725E+00 -9.2156037E-05 3.7271464E-04 7.6751169E-03 7.8109235E-01 -6.0623586E-01 1.9085328E-01 26 3.5592554E+00 6.5817826E-05 -2.9197769E-04 1.8698571E-03 4.9070331E-01 -5.9038389E-01 2.0011406E-01 27 1.9991832E+00 -4.6431710E-05 1.6050443E-04 -3.7322532E-04 8.2017190E-02 9.6862078E-02 -4.3748692E-02 28 1.1333452E+00 3.4766843E-05 -9.2160058E-05 1.6776103E-04 1.5405936E-03 6.6805493E-01 -2.9039765E-01 29 6.3294538E-01 -2.5812840E-05 5.8899751E-05 -1.6636607E-04 1.4439773E-03 5.2303173E-01 -3.2939985E-01 30 3.4800010E-01 1.8365330E-05 -3.1300569E-05 7.0171017E-05 -2.0794656E-04 1.3079099E-01 -1.4647054E-01 31 1.8739735E-01 -1.2257181E-05 1.5852648E-05 -4.0010186E-05 1.5522338E-04 8.5596096E-03 1.8754767E-01 32 9.5457425E-02 7.6974550E-06 -7.0446985E-06 1.9369385E-05 -7.1475830E-05 2.2235709E-03 5.0623024E-01 33 4.8435729E-02 -4.3654397E-06 2.5723668E-06 -7.0221127E-06 1.2317559E-05 9.7014646E-04 4.5940060E-01 34 2.4280403E-02 1.5574472E-06 -5.7711037E-07 2.1659233E-06 -7.9378805E-06 2.7112023E-04 1.0633955E-01 2p 3p 4p 5p 6p 1 5.3609439E+07 2.1493993E-08 -1.0908550E-08 5.3009112E-09 -1.9550099E-09 4.6362071E-10 2 1.4855009E+07 1.4860113E-07 -7.5456470E-08 3.6631151E-08 -1.3488604E-08 3.1999369E-09 3 4.5358814E+06 7.0130158E-07 -3.5647719E-07 1.7328244E-07 -6.3909377E-08 1.5156071E-08 4 1.5033066E+06 2.9359976E-06 -1.4942730E-06 7.2577161E-07 -2.6726916E-07 6.3406213E-08 5 5.3180668E+05 1.1710309E-05 -5.9703999E-06 2.9041464E-06 -1.0712371E-06 2.5404778E-07 6 1.9879132E+05 4.5529993E-05 -2.3255903E-05 1.1305215E-05 -4.1642292E-06 9.8791127E-07 7 7.8022969E+04 1.7322591E-04 -8.8678660E-05 4.3171445E-05 -1.5925469E-05 3.7769722E-06 8 3.2080496E+04 6.3725118E-04 -3.2706379E-04 1.5918241E-04 -5.8655792E-05 1.3915251E-05 9 1.3819183E+04 2.2270564E-03 -1.1473821E-03 5.5935251E-04 -2.0637679E-04 4.8948494E-05 10 6.2371520E+03 7.2428265E-03 -3.7547418E-03 1.8318087E-03 -6.7537488E-04 1.6022849E-04 11 2.9445083E+03 2.1509039E-02 -1.1277189E-02 5.5201067E-03 -2.0383389E-03 4.8350434E-04 12 1.4486417E+03 5.6965958E-02 -3.0480227E-02 1.4981723E-02 -5.5322659E-03 1.3127233E-03 13 7.3915063E+02 1.2945105E-01 -7.1585014E-02 3.5490818E-02 -1.3141264E-02 3.1180289E-03 14 3.8872466E+02 2.3714190E-01 -1.3721310E-01 6.8753981E-02 -2.5487023E-02 6.0507269E-03 15 2.0966698E+02 3.1676339E-01 -1.8998377E-01 9.6294679E-02 -3.5843435E-02 8.5074365E-03 16 1.1518899E+02 2.5914652E-01 -1.1110746E-01 4.7929109E-02 -1.7022087E-02 4.0278274E-03 17 6.4054716E+01 1.0159900E-01 1.7742727E-01 -1.3664342E-01 5.4733342E-02 -1.3119064E-02 18 3.6303223E+01 1.1482607E-02 4.6450655E-01 -3.6962473E-01 1.5187200E-01 -3.6415834E-02 19 2.0885271E+01 -9.5819562E-04 3.7496074E-01 -2.7155256E-01 1.0440529E-01 -2.4907391E-02 20 1.1965242E+01 -2.0181696E-03 1.1656569E-01 2.2510426E-01 -1.2960785E-01 3.2244589E-02 21 6.7137508E+00 -1.4390833E-03 1.1771041E-02 5.6206470E-01 -3.2511575E-01 8.0980994E-02 22 3.7556932E+00 -1.4453828E-03 1.0402037E-03 3.7397282E-01 -2.3648260E-01 6.0016484E-02 23 2.0459508E+00 -1.1320961E-03 6.1462971E-05 8.1930198E-02 1.7169641E-01 -5.3597490E-02 24 1.1024597E+00 -1.0943287E-03 6.1193459E-05 4.0411234E-03 4.9138305E-01 -1.4958963E-01 25 5.8644331E-01 -8.3094958E-04 8.9422382E-06 7.8003627E-04 4.0719492E-01 -1.5614665E-01 26 3.0657991E-01 -9.2230443E-04 4.4468883E-05 -3.3223400E-04 1.4183222E-01 -2.3066680E-02 27 1.4414257E-01 -6.4275215E-04 2.3648981E-05 -2.3537753E-05 1.7606458E-02 2.4529425E-01 28 6.9532302E-02 -8.3350066E-04 3.5694039E-05 -1.8682526E-04 9.9590355E-04 4.5609663E-01 29 3.3533384E-02 -7.5834111E-05 3.5700934E-06 6.6779513E-06 5.8187447E-04 3.6829476E-01 30 1.6049279E-02 -1.0345236E-03 4.2987404E-05 -1.7349684E-04 -1.5732300E-05 7.8373469E-02 3d 4d 5d 1 5.3980043E+04 3.3349710E-06 -1.6642242E-06 4.0082615E-07 2 1.3082378E+04 4.6443530E-05 -2.3095050E-05 5.5643417E-06 3 4.3946436E+03 3.7683560E-04 -1.8826404E-04 4.5363623E-05 4 1.7627043E+03 2.1876084E-03 -1.0938752E-03 2.6373389E-04 5 7.9340011E+02 9.8020597E-03 -4.9393643E-03 1.1918770E-03 6 3.8654776E+02 3.4519454E-02 -1.7524842E-02 4.2350273E-03 7 1.9886348E+02 9.6029787E-02 -4.9646556E-02 1.2028481E-02 8 1.0652881E+02 2.0444797E-01 -1.0663843E-01 2.5876059E-02 9 5.8479281E+01 3.1565553E-01 -1.6095402E-01 3.8920732E-02 10 3.2717024E+01 3.1924777E-01 -1.2977923E-01 2.9729428E-02 11 1.8383016E+01 1.7628790E-01 8.4834688E-02 -2.9930602E-02 12 1.0199655E+01 4.3576471E-02 3.5004966E-01 -1.0200770E-01 13 5.5717106E+00 3.6430114E-03 4.1976730E-01 -1.2074187E-01 14 2.9784222E+00 4.1147356E-04 2.4108567E-01 -2.6138795E-02 15 1.5234874E+00 -5.2551448E-05 5.5986142E-02 1.7258300E-01 16 7.4464814E-01 -2.6387913E-05 3.4693189E-03 3.4181008E-01 17 3.4869929E-01 -4.6157902E-05 5.6106784E-04 3.7571507E-01 18 1.5511823E-01 -1.5451145E-05 -1.9227277E-05 2.6865291E-01 19 6.4363559E-02 -1.6935742E-05 5.3719710E-05 9.6547589E-02 4f 1 1.1794059E+03 1.0020709E-04 2 4.0180093E+02 1.1045728E-03 3 1.7150947E+02 6.7371676E-03 4 8.2325947E+01 2.7379180E-02 5 4.1919708E+01 7.8518988E-02 6 2.2128322E+01 1.7014086E-01 7 1.1814399E+01 2.6745209E-01 8 6.1885346E+00 3.1899595E-01 9 3.1019283E+00 2.8702845E-01 10 1.4303266E+00 1.7345440E-01 11 5.7199483E-01 4.7845371E-02 12 2.1756792E-01 1.6351243E-03 Foldy-Wouthuysen functions -------------------------- 1s 2s 3s 4s 5s 6s 1 6.4137274E+07 3.4933414E-04 -1.3468699E-04 6.4048516E-05 -3.1490339E-05 1.2802966E-05 -3.6196498E-06 2 1.7067624E+07 7.7513307E-04 -2.9924688E-04 1.4229315E-04 -6.9949028E-05 2.8437157E-05 -8.0396766E-06 3 5.8454686E+06 1.4193675E-03 -5.4887888E-04 2.6115672E-04 -1.2843220E-04 5.2220892E-05 -1.4763941E-05 4 2.2274049E+06 2.4050951E-03 -9.3253871E-04 4.4363651E-04 -2.1807251E-04 8.8654343E-05 -2.5063869E-05 5 9.2735944E+05 3.9855144E-03 -1.5517289E-03 7.3929859E-04 -3.6371375E-04 1.4790871E-04 -4.1817110E-05 6 4.0726404E+05 6.5230888E-03 -2.5526307E-03 1.2162185E-03 -5.9790020E-04 2.4308140E-04 -6.8721677E-05 7 1.8676732E+05 1.0758409E-02 -4.2438865E-03 2.0273807E-03 -9.9798063E-04 4.0591957E-04 -1.1475791E-04 8 8.8268163E+04 1.7952337E-02 -7.1488290E-03 3.4177464E-03 -1.6811634E-03 6.8362852E-04 -1.9325930E-04 9 4.2812203E+04 3.0413961E-02 -1.2288326E-02 5.8972687E-03 -2.9056252E-03 1.1821866E-03 -3.3422926E-04 10 2.1231782E+04 5.1957158E-02 -2.1398395E-02 1.0294274E-02 -5.0710762E-03 2.0632298E-03 -5.8338773E-04 11 1.0750646E+04 8.8018408E-02 -3.7407465E-02 1.8108292E-02 -8.9389701E-03 3.6387532E-03 -1.0288340E-03 12 5.5500686E+03 1.4300501E-01 -6.3854574E-02 3.1156349E-02 -1.5399376E-02 6.2700190E-03 -1.7728546E-03 13 2.9201293E+03 2.1078882E-01 -1.0241315E-01 5.0750160E-02 -2.5190510E-02 1.0261633E-02 -2.9013561E-03 14 1.5655731E+03 2.5837501E-01 -1.4302995E-01 7.2630901E-02 -3.6252390E-02 1.4797135E-02 -4.1858338E-03 15 8.5493986E+02 2.2936753E-01 -1.4741614E-01 7.7261234E-02 -3.8907508E-02 1.5901447E-02 -4.4976300E-03 16 4.7528922E+02 1.1906523E-01 -4.2327821E-02 1.8598166E-02 -8.9315780E-03 3.6421514E-03 -1.0325648E-03 17 2.6897852E+02 2.5314726E-02 2.0261198E-01 -1.5315101E-01 8.4080283E-02 -3.5161372E-02 9.9886829E-03 18 1.5894220E+02 1.5172770E-03 3.9323898E-01 -3.5834652E-01 2.0747477E-01 -8.7356655E-02 2.4798234E-02 19 1.0297127E+02 -4.8755169E-04 2.8118725E-01 -3.1679346E-01 1.9177872E-01 -8.2510507E-02 2.3581257E-02 20 7.2276650E+01 3.6478109E-04 2.0684495E-01 -2.2788055E-01 1.4656642E-01 -6.2932985E-02 1.7842852E-02 21 4.4994511E+01 -3.6519759E-04 7.4782530E-02 1.7705154E-01 -1.5230792E-01 6.8677912E-02 -1.9603254E-02 22 2.8432570E+01 1.7492907E-04 3.0299042E-03 6.2895049E-01 -6.9662323E-01 3.4886585E-01 -1.0185949E-01 23 1.7374987E+01 -1.2209915E-04 2.0073728E-03 4.6866172E-01 -6.2955234E-01 3.1380702E-01 -9.1054096E-02 24 1.0330107E+01 7.5748338E-05 -9.7395764E-04 1.1706340E-01 1.8087512E-01 -1.2482097E-01 3.6793838E-02 25 6.0943725E+00 -4.3857541E-05 3.5401156E-04 7.6331534E-03 7.8120154E-01 -6.0665074E-01 1.9100118E-01 26 3.5592554E+00 2.5716010E-05 -2.8847525E-04 1.8433727E-03 4.9039194E-01 -5.9032725E-01 2.0010399E-01 27 1.9991832E+00 -1.6720059E-05 1.5561488E-04 -3.6378187E-04 8.1925132E-02 9.7029474E-02 -4.3818388E-02 28 1.1333452E+00 9.4150536E-06 -9.1256189E-05 1.5717832E-04 1.5350997E-03 6.6808046E-01 -2.9042808E-01 29 6.3294538E-01 -6.1964346E-06 5.8044568E-05 -1.5934713E-04 1.4403393E-03 5.2299258E-01 -3.2940271E-01 30 3.4800010E-01 3.2004138E-06 -3.1427762E-05 6.4050778E-05 -2.0590597E-04 1.3077176E-01 -1.4646273E-01 31 1.8739735E-01 -1.7432937E-06 1.5988147E-05 -3.6064763E-05 1.5315461E-04 8.5592645E-03 1.8755318E-01 32 9.5457425E-02 7.3680130E-07 -7.3697856E-06 1.6785919E-05 -7.0298064E-05 2.2223685E-03 5.0623220E-01 33 4.8435729E-02 -3.0946149E-07 2.7596866E-06 -5.5502804E-06 1.1526855E-05 9.7063357E-04 4.5939831E-01 34 2.4280403E-02 6.1408973E-08 -6.7744899E-07 1.6123513E-06 -7.6591245E-06 2.7087149E-04 1.0633873E-01 2p 3p 4p 5p 6p 1 5.3609439E+07 2.9284255E-06 -1.4704137E-06 7.1397975E-07 -2.6332365E-07 6.2435612E-08 2 1.4855009E+07 1.1175111E-05 -5.6137905E-06 2.7190800E-06 -1.0005086E-06 2.3737125E-07 3 4.5358814E+06 2.7987581E-05 -1.4101052E-05 6.8495991E-06 -2.5261920E-06 5.9900383E-07 4 1.5033066E+06 6.4774026E-05 -3.2632556E-05 1.5814911E-05 -5.8199001E-06 1.3807981E-06 5 5.3180668E+05 1.4576776E-04 -7.3739702E-05 3.5845488E-05 -1.3221955E-05 3.1352384E-06 6 1.9879132E+05 3.2685689E-04 -1.6562033E-04 8.0368354E-05 -2.9586297E-05 7.0194830E-06 7 7.8022969E+04 7.4430858E-04 -3.7919446E-04 1.8455512E-04 -6.8085765E-05 1.6145885E-05 8 3.2080496E+04 1.7474064E-03 -8.9382774E-04 4.3468844E-04 -1.6012186E-04 3.7989277E-05 9 1.3819183E+04 4.2784056E-03 -2.2042567E-03 1.0751118E-03 -3.9675355E-04 9.4096918E-05 10 6.2371520E+03 1.0805362E-02 -5.6122490E-03 2.7392772E-03 -1.0099643E-03 2.3962274E-04 11 2.9445083E+03 2.7242223E-02 -1.4338692E-02 7.0262905E-03 -2.5952177E-03 6.1559406E-04 12 1.4486417E+03 6.5230069E-02 -3.5070741E-02 1.7257708E-02 -6.3739832E-03 1.5125198E-03 13 7.3915063E+02 1.3948918E-01 -7.7534529E-02 3.8487649E-02 -1.4254749E-02 3.3822709E-03 14 3.8872466E+02 2.4644124E-01 -1.4327635E-01 7.1875035E-02 -2.6650064E-02 6.3270705E-03 15 2.0966698E+02 3.2224169E-01 -1.9391165E-01 9.8353186E-02 -3.6615111E-02 8.6906288E-03 16 1.1518899E+02 2.6095609E-01 -1.1125284E-01 4.7760115E-02 -1.6936515E-02 4.0071179E-03 17 6.4054716E+01 1.0299492E-01 1.7938239E-01 -1.3837941E-01 5.5446768E-02 -1.3290554E-02 18 3.6303223E+01 1.3414579E-02 4.6537634E-01 -3.7102477E-01 1.5250160E-01 -3.6568011E-02 19 2.0885271E+01 9.3149213E-04 3.7425545E-01 -2.7112543E-01 1.0419773E-01 -2.4856735E-02 20 1.1965242E+01 -3.1052868E-04 1.1615584E-01 2.2599785E-01 -1.3008007E-01 3.2361172E-02 21 6.7137508E+00 7.5513459E-05 1.1630311E-02 5.6245829E-01 -3.2540888E-01 8.1055975E-02 22 3.7556932E+00 -1.0774463E-04 9.9618933E-04 3.7402228E-01 -2.3650658E-01 6.0021898E-02 23 2.0459508E+00 5.3478559E-05 -2.7059241E-06 8.2076305E-02 1.7174021E-01 -5.3615397E-02 24 1.1024597E+00 -3.1294463E-05 2.6954108E-05 4.1994654E-03 4.9138057E-01 -1.4959605E-01 25 5.8644331E-01 1.9063929E-05 -3.4644219E-05 9.2404215E-04 4.0715451E-01 -1.5614227E-01 26 3.0657991E-01 -9.4129218E-06 1.1564960E-05 -1.8899792E-04 1.4179925E-01 -2.3055298E-02 27 1.4414257E-01 4.7402492E-06 -7.2894446E-06 8.4702358E-05 1.7585751E-02 2.4530429E-01 28 6.9532302E-02 -2.5501273E-06 3.7943362E-06 -5.4680560E-05 9.7326146E-04 4.5610590E-01 29 3.3533384E-02 1.1643529E-06 -1.6607323E-06 2.0914025E-05 5.7901788E-04 3.6829492E-01 30 1.6049279E-02 -3.2875931E-07 4.9545997E-07 -6.6000652E-06 -4.4648864E-05 7.8383389E-02 3d 4d 5d 1 5.3980043E+04 1.5980396E-05 -7.9434268E-06 1.9117173E-06 2 1.3082378E+04 1.0216234E-04 -5.0807173E-05 1.2243234E-05 3 4.3946436E+03 5.5945260E-04 -2.7937445E-04 6.7307367E-05 4 1.7627043E+03 2.6782412E-03 -1.3401503E-03 3.2316119E-04 5 7.9340011E+02 1.0908242E-02 -5.5008932E-03 1.3275083E-03 6 3.8654776E+02 3.6551492E-02 -1.8573924E-02 4.4892424E-03 7 1.9886348E+02 9.8983500E-02 -5.1222470E-02 1.2412092E-02 8 1.0652881E+02 2.0763542E-01 -1.0837708E-01 2.6300673E-02 9 5.8479281E+01 3.1799318E-01 -1.6220830E-01 3.9226405E-02 10 3.2717024E+01 3.2016840E-01 -1.3003533E-01 2.9776888E-02 11 1.8383016E+01 1.7651967E-01 8.5354562E-02 -3.0096008E-02 12 1.0199655E+01 4.3791101E-02 3.5051870E-01 -1.0215511E-01 13 5.5717106E+00 3.8410404E-03 4.1993208E-01 -1.2079973E-01 14 2.9784222E+00 5.4869001E-04 2.4110180E-01 -2.6113691E-02 15 1.5234874E+00 3.8289161E-05 5.6013855E-02 1.7262683E-01 16 7.4464814E-01 2.8756532E-05 3.4945704E-03 3.4183763E-01 17 3.4869929E-01 -1.1230867E-05 5.7907911E-04 3.7572673E-01 18 1.5511823E-01 2.0850871E-06 -1.0731657E-05 2.6865665E-01 19 6.4363559E-02 -1.7355881E-06 6.1501108E-05 9.6550241E-02 4f 1 1.1794059E+03 1.2037638E-04 2 4.0180093E+02 1.1870014E-03 3 1.7150947E+02 6.9690376E-03 4 8.2325947E+01 2.7834680E-02 5 4.1919708E+01 7.9164394E-02 6 2.2128322E+01 1.7082258E-01 7 1.1814399E+01 2.6795461E-01 8 6.1885346E+00 3.1927388E-01 9 3.1019283E+00 2.8714091E-01 10 1.4303266E+00 1.7348912E-01 11 5.7199483E-01 4.7855316E-02 12 2.1756792E-01 1.6390638E-03 ** Re 187 ** Large component functions ------------------------- 1s 2s 3s 4s 5s 6s 1 6.3602863E+07 1.4301463E-04 -5.4526913E-05 2.5933493E-05 -1.2782924E-05 5.2701915E-06 -1.5054700E-06 2 1.6921117E+07 3.4003435E-04 -1.3008559E-04 6.1903777E-05 -3.0517032E-05 1.2582130E-05 -3.5942125E-06 3 5.7932776E+06 6.8192844E-04 -2.6185769E-04 1.2468374E-04 -6.1474844E-05 2.5346577E-05 -7.2404885E-06 4 2.2073748E+06 1.2517925E-03 -4.8345202E-04 2.3040832E-04 -1.1362635E-04 4.6852179E-05 -1.3384028E-05 5 9.2043510E+05 2.2674137E-03 -8.8152454E-04 4.2056177E-04 -2.0745370E-04 8.5543371E-05 -2.4436510E-05 6 4.0582412E+05 4.0502495E-03 -1.5883955E-03 7.5885231E-04 -3.7444440E-04 1.5441928E-04 -4.4113487E-05 7 1.8735143E+05 7.2903704E-03 -2.8876433E-03 1.3816862E-03 -6.8203267E-04 2.8127655E-04 -8.0351073E-05 8 8.9310692E+04 1.3198212E-02 -5.2913747E-03 2.5367856E-03 -1.2527724E-03 5.1674798E-04 -1.4762774E-04 9 4.3735454E+04 2.4019339E-02 -9.7729738E-03 4.6962270E-03 -2.3205489E-03 9.5721939E-04 -2.7344960E-04 10 2.1880960E+04 4.3560243E-02 -1.8078530E-02 8.7163043E-03 -4.3102686E-03 1.7785239E-03 -5.0813483E-04 11 1.1150683E+04 7.7417194E-02 -3.3089230E-02 1.6031695E-02 -7.9375067E-03 3.2755896E-03 -9.3578069E-04 12 5.7779379E+03 1.3059951E-01 -5.8524512E-02 2.8592900E-02 -1.4184457E-02 5.8574964E-03 -1.6737712E-03 13 3.0461933E+03 1.9825060E-01 -9.6142812E-02 4.7634264E-02 -2.3713246E-02 9.7974310E-03 -2.7993330E-03 14 1.6371339E+03 2.4891697E-01 -1.3662749E-01 6.9307910E-02 -3.4697808E-02 1.4361481E-02 -4.1055968E-03 15 8.9861614E+02 2.2715007E-01 -1.4333645E-01 7.4834388E-02 -3.7745270E-02 1.5635159E-02 -4.4677883E-03 16 5.0453219E+02 1.2423039E-01 -5.0090183E-02 2.2962059E-02 -1.1157351E-02 4.6097734E-03 -1.3215927E-03 17 2.9161892E+02 3.0529832E-02 1.6674507E-01 -1.2573766E-01 6.9070477E-02 -2.9274549E-02 8.4094220E-03 18 1.7695324E+02 3.0785434E-03 3.5195473E-01 -3.1131323E-01 1.7958294E-01 -7.6645777E-02 2.1979725E-02 19 1.1350002E+02 -1.7471122E-04 3.4268793E-01 -3.7250142E-01 2.2462910E-01 -9.7411483E-02 2.8102600E-02 20 7.3662056E+01 3.1195399E-04 2.2682398E-01 -2.5241241E-01 1.6332096E-01 -7.1846385E-02 2.0630351E-02 21 4.5394705E+01 -2.8029194E-04 6.6495772E-02 2.2049188E-01 -1.9257665E-01 8.9701052E-02 -2.5964232E-02 22 2.8576605E+01 1.5367121E-04 3.3128737E-03 6.2924631E-01 -7.1444142E-01 3.6445440E-01 -1.0776585E-01 23 1.7570727E+01 -1.1719149E-04 1.5501498E-03 4.4261137E-01 -5.9062954E-01 2.9797293E-01 -8.7308525E-02 24 1.0510149E+01 7.7171994E-05 -7.8299913E-04 1.0795818E-01 2.0520346E-01 -1.4050702E-01 4.1707289E-02 25 6.2968071E+00 -4.4778259E-05 2.8458497E-04 6.7036794E-03 7.7041508E-01 -6.1678668E-01 1.9798071E-01 26 3.7233958E+00 2.9898132E-05 -2.4562607E-04 2.0409876E-03 4.8436895E-01 -5.9601406E-01 2.0519369E-01 27 2.1230480E+00 -1.8331782E-05 1.3864970E-04 -4.9270587E-04 8.4232008E-02 9.3397832E-02 -4.4018924E-02 28 1.2298564E+00 1.1502401E-05 -8.0973792E-05 2.3952253E-04 2.0454116E-03 6.4992359E-01 -2.8980609E-01 29 7.0283439E-01 -7.0175528E-06 5.2750822E-05 -2.1091052E-04 1.4587397E-03 5.3129405E-01 -3.2404540E-01 30 3.9525820E-01 3.7612455E-06 -2.7096027E-05 8.7460165E-05 -1.3634591E-04 1.5306571E-01 -1.6197932E-01 31 2.1736198E-01 -1.7728315E-06 1.2944998E-05 -4.5193901E-05 1.3008480E-04 1.2715625E-02 1.5451749E-01 32 1.0873344E-01 7.1687912E-07 -5.2798894E-06 1.8703225E-05 -5.1362360E-05 2.4667957E-03 4.9305224E-01 33 5.4219252E-02 -2.6892595E-07 1.9074897E-06 -5.8987928E-06 2.2617956E-06 1.0246779E-03 4.8537797E-01 34 2.6753492E-02 6.2626349E-08 -4.7093197E-07 1.7862362E-06 -6.5658368E-06 3.2641057E-04 1.2609632E-01 2p 3p 4p 5p 6p 1 5.4160834E+07 3.7805032E-06 -1.9218416E-06 9.3720347E-07 -3.5187988E-07 8.3119236E-08 2 1.5165049E+07 1.2915110E-05 -6.5659475E-06 3.2018493E-06 -1.2020762E-06 2.8395170E-07 3 4.6670369E+06 3.0912810E-05 -1.5720119E-05 7.6667363E-06 -2.8786208E-06 6.7997233E-07 4 1.5567308E+06 6.7953198E-05 -3.4572831E-05 1.6861819E-05 -6.3304899E-06 1.4953885E-06 5 5.5339332E+05 1.4478060E-04 -7.3729185E-05 3.5970768E-05 -1.3507541E-05 3.1906751E-06 6 2.0765636E+05 3.0887416E-04 -1.5755455E-04 7.6884273E-05 -2.8866270E-05 6.8189843E-06 7 8.1779948E+04 6.7832269E-04 -3.4700249E-04 1.6948313E-04 -6.3664323E-05 1.5038527E-05 8 3.3712742E+04 1.5713247E-03 -8.0733207E-04 3.9458913E-04 -1.4818150E-04 3.5006650E-05 9 1.4542625E+04 3.8681139E-03 -1.9995998E-03 9.7909067E-04 -3.6802065E-04 8.6935463E-05 10 6.5663390E+03 9.9154180E-03 -5.1684469E-03 2.5343747E-03 -9.5230248E-04 2.2499658E-04 11 3.0993698E+03 2.5394421E-02 -1.3403943E-02 6.5955959E-03 -2.4819522E-03 5.8635770E-04 12 1.5241592E+03 6.1702714E-02 -3.3244187E-02 1.6428274E-02 -6.1826202E-03 1.4610459E-03 13 7.7730718E+02 1.3380495E-01 -7.4453086E-02 3.7104147E-02 -1.4001843E-02 3.3088585E-03 14 4.0861284E+02 2.3995207E-01 -1.3950248E-01 7.0240520E-02 -2.6534067E-02 6.2736151E-03 15 2.2029035E+02 3.1937672E-01 -1.9232461E-01 9.7931722E-02 -3.7151244E-02 8.7828214E-03 16 1.2100149E+02 2.6464574E-01 -1.1664913E-01 5.1192257E-02 -1.8579182E-02 4.3775566E-03 17 6.7294151E+01 1.0778134E-01 1.6849352E-01 -1.3188802E-01 5.3947493E-02 -1.2885856E-02 18 3.8146585E+01 1.4726681E-02 4.6036629E-01 -3.6804213E-01 1.5432360E-01 -3.6883893E-02 19 2.1973906E+01 1.0283379E-03 3.8081985E-01 -2.8139859E-01 1.1095506E-01 -2.6377613E-02 20 1.2614658E+01 -3.1462202E-04 1.2244821E-01 2.1123338E-01 -1.2566841E-01 3.1234576E-02 21 7.0848573E+00 8.1762752E-05 1.2780392E-02 5.6346374E-01 -3.3401663E-01 8.3153061E-02 22 3.9633385E+00 -1.1151604E-04 1.0024525E-03 3.8462193E-01 -2.4934009E-01 6.3145529E-02 23 2.1436701E+00 5.5635651E-05 3.6800300E-06 8.4020742E-02 1.8424971E-01 -5.8080574E-02 24 1.1527070E+00 -3.1917721E-05 1.4656851E-05 3.4768774E-03 5.0830763E-01 -1.5657874E-01 25 6.0997280E-01 1.9642478E-05 -3.3214886E-05 1.1566142E-03 3.9904894E-01 -1.5211791E-01 26 3.1665140E-01 -9.5845538E-06 9.3366071E-06 -2.9908779E-04 1.2876109E-01 -7.0252627E-03 27 1.4838013E-01 4.8737007E-06 -6.6653247E-06 1.4151276E-04 1.4797952E-02 2.5902915E-01 28 7.1046076E-02 -2.6226723E-06 3.4350748E-06 -8.4101855E-05 9.7223308E-04 4.5486153E-01 29 3.4179114E-02 1.2107089E-06 -1.5052072E-06 3.4943538E-05 4.2497729E-04 3.5532048E-01 30 1.6355002E-02 -3.4451193E-07 4.5662735E-07 -1.0607013E-05 -1.8615668E-05 7.3476367E-02 3d 4d 5d 1 5.6798749E+04 1.4194860E-05 -7.1172299E-06 1.8198202E-06 2 1.3709774E+04 9.2910232E-05 -4.6581694E-05 1.1917675E-05 3 4.5917735E+03 5.2296267E-04 -2.6330962E-04 6.7365122E-05 4 1.8382681E+03 2.5515484E-03 -1.2868039E-03 3.2952093E-04 5 8.2623507E+02 1.0532183E-02 -5.3527451E-03 1.3715763E-03 6 4.0204410E+02 3.5687872E-02 -1.8273071E-02 4.6904587E-03 7 2.0660807E+02 9.7527801E-02 -5.0848761E-02 1.3083567E-02 8 1.1058796E+02 2.0602092E-01 -1.0835310E-01 2.7930452E-02 9 6.0695894E+01 3.1694687E-01 -1.6297191E-01 4.1843702E-02 10 3.3977162E+01 3.2002597E-01 -1.3106166E-01 3.1843729E-02 11 1.9115601E+01 1.7729243E-01 8.4504910E-02 -3.2098129E-02 12 1.0628427E+01 4.4412875E-02 3.5040300E-01 -1.0898649E-01 13 5.8247645E+00 3.9328712E-03 4.2063829E-01 -1.2956287E-01 14 3.1281558E+00 5.4572093E-04 2.4012891E-01 -2.5333564E-02 15 1.6095628E+00 2.8284560E-05 5.4950503E-02 1.8760109E-01 16 7.9562027E-01 2.6460446E-05 3.3808274E-03 3.5450683E-01 17 3.7717488E-01 -1.3204724E-05 6.2316044E-04 3.7084098E-01 18 1.6992564E-01 1.7180978E-06 1.3579539E-05 2.5059303E-01 19 7.1382388E-02 -1.9441287E-06 6.7036407E-05 8.3452437E-02 4f 1 1.2664595E+03 1.0984870E-04 2 4.3075057E+02 1.1053163E-03 3 1.8381750E+02 6.5749707E-03 4 8.8247740E+01 2.6673704E-02 5 4.5004851E+01 7.6832067E-02 6 2.3800741E+01 1.6798613E-01 7 1.2752196E+01 2.6694171E-01 8 6.7179368E+00 3.2064388E-01 9 3.3992518E+00 2.8789328E-01 10 1.5912492E+00 1.7018957E-01 11 6.5110611E-01 4.5262143E-02 12 2.5079181E-01 1.6851595E-03 Pseudo-large component functions -------------------------------- 1s 2s 3s 4s 5s 6s 1 6.3602863E+07 3.5739563E-06 -1.3593040E-06 6.4623985E-07 -3.1850988E-07 1.3131231E-07 -3.7509959E-08 2 1.6921117E+07 2.3577984E-05 -8.9683388E-06 4.2638418E-06 -2.1015020E-06 8.6641036E-07 -2.4749874E-07 3 5.7932776E+06 7.6791638E-05 -2.9224036E-05 1.3894977E-05 -6.8485364E-06 2.8234432E-06 -8.0652503E-07 4 2.2073748E+06 2.2593908E-04 -8.6034609E-05 4.0911341E-05 -2.0164625E-05 8.3136998E-06 -2.3749191E-06 5 9.2043510E+05 5.8019071E-04 -2.2116657E-04 1.0518493E-04 -5.1846993E-05 2.1374913E-05 -6.1057471E-06 6 4.0582412E+05 1.4300825E-03 -5.4599462E-04 2.5975017E-04 -1.2804044E-04 5.2792274E-05 -1.5081086E-05 7 1.8735143E+05 3.3223404E-03 -1.2720002E-03 6.0539542E-04 -2.9846158E-04 1.2304914E-04 -3.5148699E-05 8 8.9310692E+04 7.4937629E-03 -2.8823180E-03 1.3729900E-03 -6.7700303E-04 2.7916053E-04 -7.9749464E-05 9 4.3735454E+04 1.6210700E-02 -6.2869798E-03 2.9988980E-03 -1.4792712E-03 6.0993456E-04 -1.7422688E-04 10 2.1880960E+04 3.3773107E-02 -1.3288634E-02 6.3553791E-03 -3.1367626E-03 1.2937583E-03 -3.6961496E-04 11 1.1150683E+04 6.6615764E-02 -2.6901156E-02 1.2923737E-02 -6.3860005E-03 2.6340675E-03 -7.5244691E-04 12 5.7779379E+03 1.2144605E-01 -5.1335742E-02 2.4869114E-02 -1.2312590E-02 5.0822338E-03 -1.4521541E-03 13 3.0461933E+03 1.9465342E-01 -8.9077941E-02 4.3779418E-02 -2.1753387E-02 8.9836956E-03 -2.5666425E-03 14 1.6371339E+03 2.5370441E-01 -1.3172727E-01 6.6353478E-02 -3.3164888E-02 1.3721999E-02 -3.9225866E-03 15 8.9861614E+02 2.3700039E-01 -1.4248730E-01 7.4079120E-02 -3.7330588E-02 1.5460214E-02 -4.4176626E-03 16 5.0453219E+02 1.3151371E-01 -5.3142271E-02 2.5116024E-02 -1.2323610E-02 5.1009973E-03 -1.4623333E-03 17 2.9161892E+02 3.2484481E-02 1.6332395E-01 -1.2171922E-01 6.6692545E-02 -2.8252595E-02 8.1155910E-03 18 1.7695324E+02 3.3902942E-03 3.5183134E-01 -3.0825852E-01 1.7748296E-01 -7.5715616E-02 2.1711282E-02 19 1.1350002E+02 -3.3089688E-04 3.4479766E-01 -3.7182157E-01 2.2395220E-01 -9.7095076E-02 2.8010388E-02 20 7.3662056E+01 4.7250078E-04 2.2884911E-01 -2.5372797E-01 1.6415290E-01 -7.2204487E-02 2.0733481E-02 21 4.5394705E+01 -4.2403176E-04 6.7240925E-02 2.1880961E-01 -1.9050991E-01 8.8652978E-02 -2.5655530E-02 22 2.8576605E+01 2.7728718E-04 3.3177432E-03 6.2982210E-01 -7.1358299E-01 3.6388527E-01 -1.0759248E-01 23 1.7570727E+01 -2.1497404E-04 1.5858556E-03 4.4351920E-01 -5.9109409E-01 2.9822047E-01 -8.7382828E-02 24 1.0510149E+01 1.5525480E-04 -8.0737169E-04 1.0827453E-01 2.0469822E-01 -1.4008280E-01 4.1574356E-02 25 6.2968071E+00 -1.0810166E-04 3.0174993E-04 6.6853924E-03 7.7057990E-01 -6.1660261E-01 1.9790622E-01 26 3.7233958E+00 7.9538009E-05 -2.5858329E-04 2.0700099E-03 4.8460314E-01 -5.9607341E-01 2.0520963E-01 27 2.1230480E+00 -5.8419189E-05 1.4866403E-04 -5.1429296E-04 8.4290286E-02 9.3317094E-02 -4.3977891E-02 28 1.2298564E+00 4.4994108E-05 -8.8998983E-05 2.5714267E-04 2.0379281E-03 6.4994221E-01 -2.8979342E-01 29 7.0283439E-01 -3.3283168E-05 5.8900892E-05 -2.2468986E-04 1.4658404E-03 5.3132675E-01 -3.2404439E-01 30 3.9525820E-01 2.2912482E-05 -3.1475522E-05 9.7412026E-05 -1.4122286E-04 1.5308082E-01 -1.6198407E-01 31 2.1736198E-01 -1.4096941E-05 1.5714970E-05 -5.1573883E-05 1.3322289E-04 1.2714696E-02 1.5451555E-01 32 1.0873344E-01 8.0360758E-06 -6.8994528E-06 2.2478171E-05 -5.3214301E-05 2.4679291E-03 4.9305180E-01 33 5.4219252E-02 -4.4621733E-06 2.8249051E-06 -8.0561899E-06 3.3205735E-06 1.0240678E-03 4.8537999E-01 34 2.6753492E-02 1.6084220E-06 -8.0629984E-07 2.5801861E-06 -6.9556305E-06 3.2663724E-04 1.2609692E-01 2p 3p 4p 5p 6p 1 5.4160834E+07 2.2363966E-08 -1.1380018E-08 5.5539823E-09 -2.0872100E-09 4.9295875E-10 2 1.5165049E+07 1.5387664E-07 -7.8337901E-08 3.8193197E-08 -1.4328470E-08 3.3851247E-09 3 4.6670369E+06 7.1958417E-07 -3.6673717E-07 1.7904205E-07 -6.7285991E-08 1.5891945E-08 4 1.5567308E+06 2.9828705E-06 -1.5220869E-06 7.4245771E-07 -2.7855944E-07 6.5811385E-08 5 5.5339332E+05 1.1784860E-05 -6.0244806E-06 2.9431819E-06 -1.1062318E-06 2.6128018E-07 6 2.0765636E+05 4.5375749E-05 -2.3238852E-05 1.1345641E-05 -4.2578040E-06 1.0059391E-06 7 8.1779948E+04 1.7099558E-04 -8.7777055E-05 4.2919033E-05 -1.6132725E-05 3.8105515E-06 8 3.3712742E+04 6.2444632E-04 -3.2136832E-04 1.5708831E-04 -5.8975032E-05 1.3933327E-05 9 1.4542625E+04 2.1723115E-03 -1.1222711E-03 5.4950336E-04 -2.0658817E-04 4.8799036E-05 10 6.5663390E+03 7.0489152E-03 -3.6639283E-03 1.7952418E-03 -6.7437677E-04 1.5933342E-04 11 3.0993698E+03 2.0924535E-02 -1.0998043E-02 5.4067549E-03 -2.0343416E-03 4.8059215E-04 12 1.5241592E+03 5.5495472E-02 -2.9754612E-02 1.4686827E-02 -5.5256550E-03 1.3057704E-03 13 7.7730718E+02 1.2656887E-01 -7.0100650E-02 3.4899714E-02 -1.3167546E-02 3.1116088E-03 14 4.0861284E+02 2.3346200E-01 -1.3520853E-01 6.8020033E-02 -2.5690172E-02 6.0739841E-03 15 2.2029035E+02 3.1549372E-01 -1.8960720E-01 9.6527024E-02 -3.6617668E-02 8.6566370E-03 16 1.2100149E+02 2.6281686E-01 -1.1633172E-01 5.1252819E-02 -1.8622537E-02 4.3883651E-03 17 6.7294151E+01 1.0591445E-01 1.6763375E-01 -1.3085936E-01 5.3500428E-02 -1.2778485E-02 18 3.8146585E+01 1.2581646E-02 4.6028441E-01 -3.6734249E-01 1.5398694E-01 -3.6802308E-02 19 2.1973906E+01 -9.3849793E-04 3.8149257E-01 -2.8177873E-01 1.1113819E-01 -2.6422272E-02 20 1.2614658E+01 -2.0844298E-03 1.2274478E-01 2.1068263E-01 -1.2535104E-01 3.1155949E-02 21 7.0848573E+00 -1.4836135E-03 1.2889207E-02 5.6321464E-01 -3.3381118E-01 8.3100259E-02 22 3.9633385E+00 -1.5063390E-03 1.0460161E-03 3.8454066E-01 -2.4930866E-01 6.3139119E-02 23 2.1436701E+00 -1.1847820E-03 6.6130634E-05 8.3843125E-02 1.8425247E-01 -5.8074869E-02 24 1.1527070E+00 -1.1288577E-03 5.0329813E-05 3.3070523E-03 5.0833636E-01 -1.5657964E-01 25 6.0997280E-01 -8.7526079E-04 1.0605449E-05 1.0046948E-03 3.9909100E-01 -1.5212480E-01 26 3.1665140E-01 -9.4961603E-04 4.2785785E-05 -4.4823021E-04 1.2879176E-01 -7.0354481E-03 27 1.4838013E-01 -6.7375271E-04 2.4792302E-05 2.7642108E-05 1.4818863E-02 2.5902080E-01 28 7.1046076E-02 -8.5438992E-04 3.5450421E-05 -2.2064984E-04 9.9545078E-04 4.5485299E-01 29 3.4179114E-02 -8.3753929E-05 3.9857806E-06 1.9349795E-05 4.2803085E-04 3.5532016E-01 30 1.6355002E-02 -1.0598500E-03 4.2987239E-05 -1.8277013E-04 1.1119138E-05 7.3465930E-02 3d 4d 5d 1 5.6798749E+04 3.2483942E-06 -1.6335217E-06 4.1757030E-07 2 1.3709774E+04 4.5389394E-05 -2.2741050E-05 5.8194000E-06 3 4.5917735E+03 3.6934791E-04 -1.8594012E-04 4.7563668E-05 4 1.8382681E+03 2.1491633E-03 -1.0827882E-03 2.7724819E-04 5 8.2623507E+02 9.6575418E-03 -4.9037388E-03 1.2563117E-03 6 4.0204410E+02 3.4142864E-02 -1.7465079E-02 4.4824281E-03 7 2.0660807E+02 9.5369186E-02 -4.9681754E-02 1.2781550E-02 8 1.1058796E+02 2.0377890E-01 -1.0711419E-01 2.7608990E-02 9 6.0695894E+01 3.1533199E-01 -1.6210640E-01 4.1620531E-02 10 3.3977162E+01 3.1935150E-01 -1.3089632E-01 3.1815133E-02 11 1.9115601E+01 1.7700292E-01 8.4198973E-02 -3.1987583E-02 12 1.0628427E+01 4.4148861E-02 3.5012723E-01 -1.0888679E-01 13 5.8247645E+00 3.7196036E-03 4.2053928E-01 -1.2952442E-01 14 3.1281558E+00 4.0322396E-04 2.4010344E-01 -2.5351671E-02 15 1.6095628E+00 -6.6596680E-05 5.4913937E-02 1.8757149E-01 16 7.9562027E-01 -3.0668361E-05 3.3531979E-03 3.5448791E-01 17 3.7717488E-01 -5.0278146E-05 6.0399698E-04 3.7083201E-01 18 1.6992564E-01 -1.6654138E-05 4.5539386E-06 2.5058942E-01 19 7.1382388E-02 -1.8539526E-05 5.8502047E-05 8.3449174E-02 4f 1 1.2664595E+03 9.3522793E-05 2 4.3075057E+02 1.0405957E-03 3 1.8381750E+02 6.3974169E-03 4 8.8247740E+01 2.6334614E-02 5 4.5004851E+01 7.6357246E-02 6 2.3800741E+01 1.6749241E-01 7 1.2752196E+01 2.6657086E-01 8 6.7179368E+00 3.2043158E-01 9 3.3992518E+00 2.8780120E-01 10 1.5912492E+00 1.7015577E-01 11 6.5110611E-01 4.5250179E-02 12 2.5079181E-01 1.6803834E-03 Foldy-Wouthuysen functions -------------------------- 1s 2s 3s 4s 5s 6s 1 6.3602863E+07 3.7423534E-04 -1.4494356E-04 6.9051422E-05 -3.4061582E-05 1.4042837E-05 -4.0118554E-06 2 1.6921117E+07 8.2876730E-04 -3.2145529E-04 1.5316157E-04 -7.5547589E-05 3.1145906E-05 -8.8980358E-06 3 5.7932776E+06 1.5141272E-03 -5.8816434E-04 2.8032359E-04 -1.3830054E-04 5.7021466E-05 -1.6290210E-05 4 2.2073748E+06 2.5570157E-03 -9.9633321E-04 4.7502350E-04 -2.3431686E-04 9.6603879E-05 -2.7598737E-05 5 9.2043510E+05 4.2137409E-03 -1.6481321E-03 7.8644786E-04 -3.8811730E-04 1.6003909E-04 -4.5720345E-05 6 4.0582412E+05 6.8386568E-03 -2.6904421E-03 1.2849345E-03 -6.3394744E-04 2.6138620E-04 -7.4674946E-05 7 1.8735143E+05 1.1158735E-02 -4.4231707E-03 2.1161777E-03 -1.0449029E-03 4.3094194E-04 -1.2310817E-04 8 8.9310692E+04 1.8389253E-02 -7.3649643E-03 3.5298138E-03 -1.7425780E-03 7.1866274E-04 -2.0531665E-04 9 4.3735454E+04 3.0764440E-02 -1.2493446E-02 6.0050909E-03 -2.9679873E-03 1.2244522E-03 -3.4980807E-04 10 2.1880960E+04 5.2029825E-02 -2.1552193E-02 1.0393477E-02 -5.1380316E-03 2.1199440E-03 -6.0571399E-04 11 1.1150683E+04 8.7606442E-02 -3.7409313E-02 1.8139547E-02 -8.9829645E-03 3.7074002E-03 -1.0591399E-03 12 5.7779379E+03 1.4191676E-01 -6.3653794E-02 3.1127316E-02 -1.5439388E-02 6.3748769E-03 -1.8215328E-03 13 3.0461933E+03 2.0885143E-01 -1.0167852E-01 5.0460541E-02 -2.5131410E-02 1.0383916E-02 -2.9668360E-03 14 1.6371339E+03 2.5566932E-01 -1.4142433E-01 7.1902219E-02 -3.6011039E-02 1.4906619E-02 -4.2615711E-03 15 8.9861614E+02 2.2805547E-01 -1.4563286E-01 7.6315725E-02 -3.8540278E-02 1.5972008E-02 -4.5643185E-03 16 5.0453219E+02 1.2170002E-01 -4.8580600E-02 2.2342248E-02 -1.0864187E-02 4.4899721E-03 -1.2874876E-03 17 2.9161892E+02 2.8643948E-02 1.7072194E-01 -1.2832691E-01 7.0450699E-02 -2.9855254E-02 8.5763191E-03 18 1.7695324E+02 2.4938648E-03 3.5479273E-01 -3.1417980E-01 1.8133775E-01 -7.7405129E-02 2.2197556E-02 19 1.1350002E+02 -3.6893734E-04 3.4300640E-01 -3.7365546E-01 2.2540308E-01 -9.7754843E-02 2.8202844E-02 20 7.3662056E+01 2.5540735E-04 2.2634233E-01 -2.5217133E-01 1.6340797E-01 -7.1913774E-02 2.0650014E-02 21 4.5394705E+01 -3.0798637E-04 6.5882048E-02 2.2231589E-01 -1.9392795E-01 9.0316536E-02 -2.6141738E-02 22 2.8576605E+01 1.5004339E-04 3.1568800E-03 6.3022019E-01 -7.1582097E-01 3.6519641E-01 -1.0798725E-01 23 1.7570727E+01 -1.2321873E-04 1.4997614E-03 4.4235830E-01 -5.9047947E-01 2.9789988E-01 -8.7286016E-02 24 1.0510149E+01 7.5308693E-05 -7.8745102E-04 1.0773325E-01 2.0582701E-01 -1.4083269E-01 4.1801116E-02 25 6.2968071E+00 -4.8210739E-05 2.7419566E-04 6.6528022E-03 7.7068264E-01 -6.1704262E-01 1.9806713E-01 26 3.7233958E+00 2.9095875E-05 -2.4594693E-04 2.0351757E-03 4.8427918E-01 -5.9600689E-01 2.0519627E-01 27 2.1230480E+00 -1.9196454E-05 1.3510649E-04 -4.9652694E-04 8.4190051E-02 9.3498424E-02 -4.4055023E-02 28 1.2298564E+00 1.1358069E-05 -8.0485750E-05 2.3895570E-04 2.0328706E-03 6.4997164E-01 -2.8982739E-01 29 7.0283439E-01 -7.3203365E-06 5.1755213E-05 -2.1185255E-04 1.4604600E-03 5.3128580E-01 -3.2404740E-01 30 3.9525820E-01 3.6937951E-06 -2.6854196E-05 8.7114276E-05 -1.3790166E-04 1.5305765E-01 -1.6197607E-01 31 2.1736198E-01 -1.8610193E-06 1.2667765E-05 -4.5281675E-05 1.3034963E-04 1.2713657E-02 1.5452193E-01 32 1.0873344E-01 6.9968555E-07 -5.2716049E-06 1.8732056E-05 -5.1687826E-05 2.4667034E-03 4.9305429E-01 33 5.4219252E-02 -2.8616364E-07 1.8551528E-06 -5.9365147E-06 2.3177021E-06 1.0245142E-03 4.8537771E-01 34 2.6753492E-02 5.5238575E-08 -4.7240994E-07 1.7775991E-06 -6.5920252E-06 3.2636993E-04 1.2609592E-01 2p 3p 4p 5p 6p 1 5.4160834E+07 3.0111536E-06 -1.5157813E-06 7.3914843E-07 -2.7777565E-07 6.5595682E-08 2 1.5165049E+07 1.1570339E-05 -5.8276056E-06 2.8349523E-06 -1.0627866E-06 2.5109910E-07 3 4.6670369E+06 2.8866468E-05 -1.4581933E-05 7.1134269E-06 -2.6732037E-06 6.3129486E-07 4 1.5567308E+06 6.6541451E-05 -3.3611615E-05 1.6360546E-05 -6.1340756E-06 1.4492909E-06 5 5.5339332E+05 1.4914944E-04 -7.5648893E-05 3.6930896E-05 -1.3880458E-05 3.2780501E-06 6 2.0765636E+05 3.3268759E-04 -1.6902065E-04 8.2376264E-05 -3.0896732E-05 7.2999837E-06 7 8.1779948E+04 7.5243493E-04 -3.8434865E-04 1.8786873E-04 -7.0622001E-05 1.6679382E-05 8 3.3712742E+04 1.7530640E-03 -8.9910168E-04 4.3915769E-04 -1.6481703E-04 3.8941526E-05 9 1.4542625E+04 4.2572065E-03 -2.1992302E-03 1.0773157E-03 -4.0510571E-04 9.5687324E-05 10 6.5663390E+03 1.0670707E-02 -5.5569726E-03 2.7240926E-03 -1.0233112E-03 2.4178918E-04 11 3.0993698E+03 2.6758827E-02 -1.4120021E-02 6.9491634E-03 -2.6154257E-03 6.1786647E-04 12 1.5241592E+03 6.3927877E-02 -3.4445011E-02 1.7022009E-02 -6.4055570E-03 1.5137700E-03 13 7.7730718E+02 1.3686851E-01 -7.6207621E-02 3.7988050E-02 -1.4336811E-02 3.3879769E-03 14 4.0861284E+02 2.4310399E-01 -1.4148825E-01 7.1264476E-02 -2.6921966E-02 6.3654622E-03 15 2.2029035E+02 3.2127863E-01 -1.9375898E-01 9.8713358E-02 -3.7453169E-02 8.8542250E-03 16 1.2100149E+02 2.6474626E-01 -1.1658298E-01 5.1140498E-02 -1.8556366E-02 4.3722557E-03 17 6.7294151E+01 1.0732839E-01 1.6964827E-01 -1.3264983E-01 5.4250246E-02 -1.2958064E-02 18 3.8146585E+01 1.4559375E-02 4.6124649E-01 -3.6884032E-01 1.5467334E-01 -3.6967757E-02 19 2.1973906E+01 1.0076337E-03 3.8078028E-01 -2.8137738E-01 1.1093837E-01 -2.6373540E-02 20 1.2614658E+01 -3.2011070E-04 1.2230690E-01 2.1162208E-01 -1.2585626E-01 3.1280339E-02 21 7.0848573E+00 8.1329730E-05 1.2740707E-02 5.6364033E-01 -3.3413566E-01 8.3183330E-02 22 3.9633385E+00 -1.1218050E-04 1.0006413E-03 3.8459163E-01 -2.4933445E-01 6.3144770E-02 23 2.1436701E+00 5.5646252E-05 8.0431426E-07 8.3994462E-02 1.8430427E-01 -5.8095974E-02 24 1.1527070E+00 -3.2078823E-05 1.5737739E-05 3.4721314E-03 5.0833162E-01 -1.5658632E-01 25 6.0997280E-01 1.9660574E-05 -3.4005899E-05 1.1568178E-03 3.9904711E-01 -1.5211928E-01 26 3.1665140E-01 -9.6022845E-06 9.6244830E-06 -2.9946099E-04 1.2875777E-01 -7.0231692E-03 27 1.4838013E-01 4.8800410E-06 -6.8220052E-06 1.4161649E-04 1.4797434E-02 2.5903122E-01 28 7.1046076E-02 -2.6294094E-06 3.5195274E-06 -8.4178782E-05 9.7208217E-04 4.5486253E-01 29 3.4179114E-02 1.2131229E-06 -1.5461981E-06 3.4981608E-05 4.2498247E-04 3.5532037E-01 30 1.6355002E-02 -3.4526092E-07 4.6814696E-07 -1.0621616E-05 -1.8616061E-05 7.3476234E-02 3d 4d 5d 1 5.6798749E+04 1.6017710E-05 -8.0223736E-06 2.0492638E-06 2 1.3709774E+04 1.0203358E-04 -5.1126084E-05 1.3085317E-05 3 4.5917735E+03 5.5552546E-04 -2.7953488E-04 7.1493638E-05 4 1.8382681E+03 2.6501703E-03 -1.3361725E-03 3.4218509E-04 5 8.2623507E+02 1.0789782E-02 -5.4828657E-03 1.4048275E-03 6 4.0204410E+02 3.6230735E-02 -1.8551151E-02 4.7619616E-03 7 2.0660807E+02 9.8416764E-02 -5.1320075E-02 1.3205067E-02 8 1.1058796E+02 2.0708047E-01 -1.0892936E-01 2.8079992E-02 9 6.0695894E+01 3.1775877E-01 -1.6341938E-01 4.1960327E-02 10 3.3977162E+01 3.2030874E-01 -1.3116506E-01 3.1867705E-02 11 1.9115601E+01 1.7724327E-01 8.4741025E-02 -3.2172211E-02 12 1.0628427E+01 4.4369609E-02 3.5061902E-01 -1.0905201E-01 13 5.8247645E+00 3.9244681E-03 4.2071169E-01 -1.2958968E-01 14 3.1281558E+00 5.4562574E-04 2.4011859E-01 -2.5320985E-02 15 1.6095628E+00 2.7896701E-05 5.4942794E-02 1.8762155E-01 16 7.9562027E-01 2.6588789E-05 3.3795123E-03 3.5451785E-01 17 3.7717488E-01 -1.3273091E-05 6.2324681E-04 3.7084416E-01 18 1.6992564E-01 1.7419311E-06 1.3511351E-05 2.5059325E-01 19 7.1382388E-02 -1.9511276E-06 6.7052531E-05 8.3452227E-02 4f 1 1.2664595E+03 1.1359287E-04 2 4.3075057E+02 1.1234886E-03 3 1.8381750E+02 6.6328424E-03 4 8.8247740E+01 2.6804918E-02 5 4.5004851E+01 7.7033125E-02 6 2.3800741E+01 1.6821876E-01 7 1.2752196E+01 2.6711510E-01 8 6.7179368E+00 3.2073566E-01 9 3.3992518E+00 2.8792322E-01 10 1.5912492E+00 1.7019290E-01 11 6.5110611E-01 4.5261257E-02 12 2.5079181E-01 1.6850743E-03 ** Os 192 ** Large component functions ------------------------- 1s 2s 3s 4s 5s 6s 1 6.2722200E+07 1.5410990E-04 -5.9027246E-05 2.8124901E-05 -1.3909408E-05 5.8096426E-06 -1.6710163E-06 2 1.6691888E+07 3.6562485E-04 -1.4053061E-04 6.6996637E-05 -3.3138304E-05 1.3841537E-05 -3.9812395E-06 3 5.7202814E+06 7.3044064E-04 -2.8182092E-04 1.3443736E-04 -6.6505625E-05 2.7779726E-05 -7.9903036E-06 4 2.1834202E+06 1.3339757E-03 -5.1771902E-04 2.4720068E-04 -1.2231771E-04 5.1095272E-05 -1.4696747E-05 5 9.1279212E+05 2.4033375E-03 -9.3905585E-04 4.4886056E-04 -2.2215526E-04 9.2805934E-05 -2.6694256E-05 6 4.0364118E+05 4.2656454E-03 -1.6816351E-03 8.0494333E-04 -3.9853389E-04 1.6650071E-04 -4.7892475E-05 7 1.8701900E+05 7.6240761E-03 -3.0360795E-03 1.4555804E-03 -7.2092275E-04 3.0121874E-04 -8.6643059E-05 8 8.9455107E+04 1.3727467E-02 -5.5349782E-03 2.6588832E-03 -1.3175708E-03 5.5056688E-04 -1.5837145E-04 9 4.3872107E+04 2.4941909E-02 -1.0208549E-02 4.9157845E-03 -2.4372280E-03 1.0185869E-03 -2.9299770E-04 10 2.1918233E+04 4.5283596E-02 -1.8916619E-02 9.1399374E-03 -4.5355345E-03 1.8958524E-03 -5.4537627E-04 11 1.1126912E+04 8.0578507E-02 -3.4687455E-02 1.6845602E-02 -8.3689663E-03 3.4993321E-03 -1.0066548E-03 12 5.7370167E+03 1.3567590E-01 -6.1335107E-02 3.0043718E-02 -1.4958605E-02 6.2575287E-03 -1.8003308E-03 13 3.0101895E+03 2.0420325E-01 -1.0010586E-01 4.9757438E-02 -2.4858963E-02 1.0408327E-02 -2.9947364E-03 14 1.6122153E+03 2.5121674E-01 -1.3975890E-01 7.1160180E-02 -3.5771613E-02 1.4997196E-02 -4.3164737E-03 15 8.8402523E+02 2.2094439E-01 -1.3963795E-01 7.3082450E-02 -3.6973422E-02 1.5529030E-02 -4.4696245E-03 16 4.9770697E+02 1.1395767E-01 -3.5918441E-02 1.4237700E-02 -6.6523777E-03 2.7292413E-03 -7.8501618E-04 17 2.9301159E+02 2.5991543E-02 1.7572376E-01 -1.3317868E-01 7.3710379E-02 -3.1588835E-02 9.1286971E-03 18 1.8041573E+02 3.5508131E-03 3.4822057E-01 -3.1191565E-01 1.8063738E-01 -7.8387695E-02 2.2666399E-02 19 1.1535774E+02 -6.8857479E-04 3.5102726E-01 -3.8132528E-01 2.3208340E-01 -1.0165361E-01 2.9487760E-02 20 7.4326545E+01 6.9751040E-04 2.1051989E-01 -2.3967564E-01 1.5524173E-01 -7.0043652E-02 2.0339359E-02 21 4.8177892E+01 -5.4135136E-04 6.0620280E-02 2.0539588E-01 -1.7575775E-01 8.3760738E-02 -2.4524330E-02 22 3.0325505E+01 2.8982099E-04 8.2604263E-03 6.2004123E-01 -7.0190784E-01 3.6093990E-01 -1.0737579E-01 23 1.8603500E+01 -1.8969043E-04 -2.1664930E-04 4.6723989E-01 -6.2148010E-01 3.2182131E-01 -9.5443559E-02 24 1.0987773E+01 1.1974528E-04 1.9873157E-04 1.1532159E-01 1.8758149E-01 -1.3738073E-01 4.1596514E-02 25 6.5657297E+00 -7.5839950E-05 -3.1720139E-04 6.0233679E-03 7.8524733E-01 -6.3090406E-01 2.0411024E-01 26 3.8995318E+00 5.4861654E-05 1.2857083E-04 2.4783331E-03 4.6624511E-01 -6.2106583E-01 2.1872841E-01 27 2.4498452E+00 -3.1942901E-05 -8.4894233E-05 -6.7095153E-04 9.0929404E-02 9.5990372E-02 -4.7281067E-02 28 1.3087804E+00 1.4952408E-05 4.8184336E-05 2.1421566E-04 1.2873471E-02 6.8129561E-01 -3.1113822E-01 29 7.4086736E-01 -9.2914952E-06 -2.4209995E-05 -1.9983587E-04 -2.8121639E-03 5.2807097E-01 -3.2657342E-01 30 4.1717813E-01 4.8142037E-06 1.4251995E-05 7.5943953E-05 1.8332099E-03 1.4784563E-01 -1.4327656E-01 31 2.1545647E-01 -2.1953403E-06 -6.2671033E-06 -3.8208821E-05 -7.1718839E-04 1.2217219E-02 1.8718924E-01 32 1.0893299E-01 1.0116888E-06 2.8290084E-06 1.8086965E-05 3.2260226E-04 1.6197608E-03 5.0053530E-01 33 5.4644572E-02 -3.9552288E-07 -1.2027994E-06 -5.8505927E-06 -1.4378965E-04 1.1408202E-03 4.5624459E-01 34 2.7088194E-02 9.3040285E-08 2.5115408E-07 1.7836078E-06 2.7817512E-05 2.4481796E-04 1.0936122E-01 2p 3p 4p 5p 6p 1 5.4702433E+07 3.8788140E-06 -1.9768466E-06 9.6820822E-07 -3.6980283E-07 8.6647462E-08 2 1.5522873E+07 1.3316349E-05 -6.7871654E-06 3.3240576E-06 -1.2695236E-06 2.9746325E-07 3 4.8207137E+06 3.1769922E-05 -1.6197202E-05 7.9336786E-06 -3.0303245E-06 7.1002620E-07 4 1.6193828E+06 6.9543213E-05 -3.5472029E-05 1.7375303E-05 -6.6360179E-06 1.5549092E-06 5 5.7883979E+05 1.4746927E-04 -7.5290188E-05 3.6891864E-05 -1.4092795E-05 3.3020316E-06 6 2.1811521E+05 3.1291925E-04 -1.6002341E-04 7.8427008E-05 -2.9954616E-05 7.0189993E-06 7 8.6153341E+04 6.8257238E-04 -3.5006180E-04 1.7172086E-04 -6.5619279E-05 1.5375077E-05 8 3.5582204E+04 1.5677900E-03 -8.0754493E-04 3.9639988E-04 -1.5143710E-04 3.5487432E-05 9 1.5362997E+04 3.8246571E-03 -1.9821664E-03 9.7479581E-04 -3.7273807E-04 8.7338228E-05 10 6.9371626E+03 9.7299079E-03 -5.0844967E-03 2.5040029E-03 -9.5718340E-04 2.2432952E-04 11 3.2728678E+03 2.4798710E-02 -1.3120867E-02 6.4844785E-03 -2.4823289E-03 5.8170819E-04 12 1.6084259E+03 6.0156667E-02 -3.2475938E-02 1.6116549E-02 -6.1703608E-03 1.4464316E-03 13 8.1975505E+02 1.3072667E-01 -7.2847093E-02 3.6456576E-02 -1.3995291E-02 3.2806127E-03 14 4.3071237E+02 2.3589569E-01 -1.3725131E-01 6.9380360E-02 -2.6663244E-02 6.2536928E-03 15 2.3213252E+02 3.1780212E-01 -1.9175722E-01 9.8081777E-02 -3.7854572E-02 8.8769553E-03 16 1.2753106E+02 2.6874628E-01 -1.2273098E-01 5.5080989E-02 -2.0443718E-02 4.7808432E-03 17 7.0997917E+01 1.1312947E-01 1.5569337E-01 -1.2393474E-01 5.1706938E-02 -1.2263460E-02 18 4.0276118E+01 1.6405596E-02 4.5378042E-01 -3.6362775E-01 1.5520853E-01 -3.6813577E-02 19 2.3241097E+01 1.0973806E-03 3.8944311E-01 -2.9450698E-01 1.1931132E-01 -2.8185325E-02 20 1.3373491E+01 -2.9643953E-04 1.3097835E-01 1.9037979E-01 -1.1805151E-01 2.9253958E-02 21 7.5326897E+00 7.5025124E-05 1.4434708E-02 5.5961125E-01 -3.3781087E-01 8.3576512E-02 22 4.2412212E+00 -1.1299347E-04 1.0504705E-03 3.9680496E-01 -2.6691102E-01 6.7457554E-02 23 2.3304019E+00 5.6888856E-05 1.5679557E-05 9.2239927E-02 1.6702069E-01 -5.3792029E-02 24 1.2640445E+00 -3.1716660E-05 5.4796397E-06 5.1176544E-03 5.0553845E-01 -1.5506836E-01 25 6.7308110E-01 1.9449685E-05 -3.4526950E-05 9.8197697E-04 4.1065534E-01 -1.5195045E-01 26 3.5016338E-01 -8.9824343E-06 6.9552995E-06 -1.5588385E-04 1.3884082E-01 -1.2689957E-02 27 1.6250069E-01 4.4586409E-06 -6.0730920E-06 8.1353274E-05 1.6309779E-02 2.4581927E-01 28 7.7109863E-02 -2.3457131E-06 2.9584521E-06 -4.9954669E-05 7.9441108E-04 4.5052667E-01 29 3.6580168E-02 1.0701823E-06 -1.2614963E-06 1.8752728E-05 4.8632478E-04 3.6961273E-01 30 1.7236010E-02 -3.0598508E-07 3.9311883E-07 -6.1075536E-06 -3.3936892E-05 8.0929498E-02 3d 4d 5d 1 6.1024283E+04 1.3776207E-05 -6.9586537E-06 1.8693794E-06 2 1.4692679E+04 8.9117077E-05 -4.5018206E-05 1.2102789E-05 3 4.9051336E+03 4.9776812E-04 -2.5248788E-04 6.7867324E-05 4 1.9579044E+03 2.4230639E-03 -1.2312002E-03 3.3130464E-04 5 8.7787916E+02 1.0024626E-02 -5.1321670E-03 1.3816940E-03 6 4.2643111E+02 3.4161473E-02 -1.7619182E-02 4.7525382E-03 7 2.1887206E+02 9.4109530E-02 -4.9406803E-02 1.3357410E-02 8 1.1705532E+02 2.0112826E-01 -1.0661828E-01 2.8887312E-02 9 6.4219292E+01 3.1388882E-01 -1.6297534E-01 4.3982545E-02 10 3.5937939E+01 3.2325134E-01 -1.3621464E-01 3.4955562E-02 11 2.0225084E+01 1.8363008E-01 7.5121151E-02 -3.1206921E-02 12 1.1261071E+01 4.7555663E-02 3.4531712E-01 -1.1359858E-01 13 6.1854487E+00 4.3486862E-03 4.2417680E-01 -1.3848779E-01 14 3.3371404E+00 5.6059109E-04 2.4517673E-01 -2.9174013E-02 15 1.7304695E+00 2.2428349E-05 5.6877905E-02 1.9516163E-01 16 8.6341140E-01 2.5036748E-05 3.6701143E-03 3.6259157E-01 17 4.1297429E-01 -1.5241013E-05 6.6268625E-04 3.6836957E-01 18 1.8754267E-01 1.2861696E-06 4.7161825E-05 2.4015183E-01 19 7.9256192E-02 -2.1749996E-06 7.0807349E-05 7.6165242E-02 4f 1 1.3510434E+03 1.0486215E-04 2 4.5876705E+02 1.0581728E-03 3 1.9570155E+02 6.3259026E-03 4 9.3951720E+01 2.5917249E-02 5 4.7970864E+01 7.5325381E-02 6 2.5408059E+01 1.6624461E-01 7 1.3653935E+01 2.6662490E-01 8 7.2290199E+00 3.2193012E-01 9 3.6887249E+00 2.8796142E-01 10 1.7495829E+00 1.6663027E-01 11 7.2991987E-01 4.2891391E-02 12 2.8417474E-01 1.7095296E-03 Pseudo-large component functions -------------------------------- 1s 2s 3s 4s 5s 6s 1 6.2722200E+07 3.8358192E-06 -1.4655252E-06 6.9800123E-07 -3.4516732E-07 1.4416546E-07 -4.1465796E-08 2 1.6691888E+07 2.5261307E-05 -9.6525101E-06 4.5973985E-06 -2.2734914E-06 9.4956271E-07 -2.7312095E-07 3 5.7202814E+06 8.1948772E-05 -3.1328805E-05 1.4922795E-05 -7.3795900E-06 3.0822426E-06 -8.8653349E-07 4 2.1834202E+06 2.3994686E-04 -9.1790913E-05 4.3727499E-05 -2.1625138E-05 9.0321874E-06 -2.5979239E-06 5 9.1279212E+05 6.1246225E-04 -2.3454200E-04 1.1175064E-04 -5.5265994E-05 2.3083450E-05 -6.6393939E-06 6 4.0364118E+05 1.5003344E-03 -5.7551749E-04 2.7429292E-04 -1.3566623E-04 5.6665126E-05 -1.6298705E-05 7 1.8701900E+05 3.4602187E-03 -1.3309929E-03 6.3465103E-04 -3.1391939E-04 1.3112366E-04 -3.7714612E-05 8 8.9455107E+04 7.7669392E-03 -3.0019574E-03 1.4326158E-03 -7.0880946E-04 2.9607695E-04 -8.5162618E-05 9 4.3872107E+04 1.6791699E-02 -6.5441001E-03 3.1275359E-03 -1.5478252E-03 6.4661089E-04 -1.8598520E-04 10 2.1918233E+04 3.5079948E-02 -1.3876320E-02 6.6492965E-03 -3.2931542E-03 1.3759012E-03 -3.9577626E-04 11 1.1126912E+04 6.9388838E-02 -2.8183061E-02 1.3568611E-02 -6.7270804E-03 2.8114651E-03 -8.0871215E-04 12 5.7370167E+03 1.2641295E-01 -5.3828862E-02 2.6138892E-02 -1.2987926E-02 5.4305459E-03 -1.5622910E-03 13 3.0101895E+03 2.0102631E-01 -9.2863293E-02 4.5779052E-02 -2.2827260E-02 9.5533856E-03 -2.7485489E-03 14 1.6122153E+03 2.5678344E-01 -1.3497514E-01 6.8238182E-02 -3.4246903E-02 1.4352514E-02 -4.1306868E-03 15 8.8402523E+02 2.3115833E-01 -1.3917461E-01 7.2564849E-02 -3.6682311E-02 1.5403921E-02 -4.4334898E-03 16 4.9770697E+02 1.2096245E-01 -3.9234776E-02 1.6665655E-02 -7.9808132E-03 3.2974909E-03 -9.4905767E-04 17 2.9301159E+02 2.7691101E-02 1.7246796E-01 -1.2915461E-01 7.1302704E-02 -3.0539021E-02 8.8247013E-03 18 1.8041573E+02 3.9261735E-03 3.4814289E-01 -3.0881983E-01 1.7849104E-01 -7.7421708E-02 2.2385367E-02 19 1.1535774E+02 -9.1083962E-04 3.5337737E-01 -3.8078251E-01 2.3148364E-01 -1.0136785E-01 2.9403968E-02 20 7.4326545E+01 9.3025719E-04 2.1242297E-01 -2.4095237E-01 1.5604992E-01 -7.0392344E-02 2.0440039E-02 21 4.8177892E+01 -7.4566946E-04 6.1379242E-02 2.0371459E-01 -1.7371634E-01 8.2709158E-02 -2.4211683E-02 22 3.0325505E+01 4.4437374E-04 8.2839205E-03 6.2048369E-01 -7.0086296E-01 3.6026470E-01 -1.0716962E-01 23 1.8603500E+01 -3.0326545E-04 -1.7290013E-04 4.6825607E-01 -6.2197674E-01 3.2207713E-01 -9.5519919E-02 24 1.0987773E+01 2.0875822E-04 1.6305634E-04 1.1564643E-01 1.8704859E-01 -1.3692004E-01 4.1449719E-02 25 6.5657297E+00 -1.5167287E-04 -2.8652891E-04 6.0186631E-03 7.8540809E-01 -6.3070346E-01 2.0402921E-01 26 3.8995318E+00 1.2129993E-04 1.0039327E-04 2.4993983E-03 4.6649233E-01 -6.2112210E-01 2.1874040E-01 27 2.4498452E+00 -8.0346615E-05 -6.3819453E-05 -6.8455508E-04 9.0985217E-02 9.5903427E-02 -4.7235174E-02 28 1.3087804E+00 4.6144753E-05 3.4296752E-05 2.2253958E-04 1.2880231E-02 6.8130242E-01 -3.1111734E-01 29 7.4086736E-01 -3.4426561E-05 -1.2777405E-05 -2.0654127E-04 -2.8135796E-03 5.2811537E-01 -3.2657679E-01 30 4.1717813E-01 2.2425510E-05 6.1309195E-06 8.0555457E-05 1.8338651E-03 1.4785561E-01 -1.4327952E-01 31 2.1545647E-01 -1.3509756E-05 -9.8192859E-07 -4.1148550E-05 -7.1734921E-04 1.2219660E-02 1.8718581E-01 32 1.0893299E-01 8.6020355E-06 -7.5042949E-07 2.0044463E-05 3.2260791E-04 1.6187744E-03 5.0053611E-01 33 5.4644572E-02 -4.8897293E-06 9.3160474E-07 -7.0034376E-06 -1.4374766E-04 1.1414104E-03 4.5624609E-01 34 2.7088194E-02 1.7633469E-06 -5.4616970E-07 2.2104260E-06 2.7789595E-05 2.4460479E-04 1.0936196E-01 2p 3p 4p 5p 6p 1 5.4702433E+07 2.3099923E-08 -1.1784876E-08 5.7769122E-09 -2.2084685E-09 5.1736537E-10 2 1.5522873E+07 1.5823173E-07 -8.0759646E-08 3.9542476E-08 -1.5091403E-08 3.5367118E-09 3 4.8207137E+06 7.3332597E-07 -3.7470573E-07 1.8373640E-07 -7.0241717E-08 1.6455519E-08 4 1.6193828E+06 3.0083546E-06 -1.5390007E-06 7.5392519E-07 -2.8775919E-07 6.7438563E-08 5 5.7883979E+05 1.1762858E-05 -6.0289041E-06 2.9583161E-06 -1.1311135E-06 2.6499102E-07 6 2.1811521E+05 4.4850589E-05 -2.3029513E-05 1.1291818E-05 -4.3109728E-06 1.0103148E-06 7 8.6153341E+04 1.6761734E-04 -8.6272601E-05 4.2369762E-05 -1.6201392E-05 3.7957712E-06 8 3.5582204E+04 6.0813069E-04 -3.1380503E-04 1.5405565E-04 -5.8837899E-05 1.3789150E-05 9 1.5362997E+04 2.1067659E-03 -1.0913297E-03 5.3671442E-04 -2.0526806E-04 4.8094814E-05 10 6.9371626E+03 6.8237232E-03 -3.5559853E-03 1.7498881E-03 -6.6872237E-04 1.5672677E-04 11 3.2728678E+03 2.0257634E-02 -1.0672759E-02 5.2697163E-03 -2.0170533E-03 4.7265494E-04 12 1.6084259E+03 5.3825791E-02 -2.8914207E-02 1.4331937E-02 -5.4854762E-03 1.2858597E-03 13 8.1975505E+02 1.2329578E-01 -6.8379005E-02 3.4184720E-02 -1.3120607E-02 3.0754763E-03 14 4.3071237E+02 2.2915600E-01 -1.3279925E-01 6.7069676E-02 -2.5769875E-02 6.0440497E-03 15 2.3213252E+02 3.1370179E-01 -1.8887701E-01 9.6583588E-02 -3.7275281E-02 8.7410491E-03 16 1.2753106E+02 2.6683367E-01 -1.2233168E-01 5.5096353E-02 -2.0470506E-02 4.7877133E-03 17 7.0997917E+01 1.1123461E-01 1.5480613E-01 -1.2287764E-01 5.1239367E-02 -1.2151980E-02 18 4.0276118E+01 1.4204550E-02 4.5364451E-01 -3.6286180E-01 1.5483485E-01 -3.6723679E-02 19 2.3241097E+01 -9.3163008E-04 3.9013543E-01 -2.9487184E-01 1.1948900E-01 -2.8228351E-02 20 1.3373491E+01 -2.1223259E-03 1.3129905E-01 1.8979871E-01 -1.1771178E-01 2.9170304E-02 21 7.5326897E+00 -1.5401756E-03 1.4550526E-02 5.5933904E-01 -3.3758385E-01 8.3518473E-02 22 4.2412212E+00 -1.5337362E-03 1.0920491E-03 3.9672796E-01 -2.6687618E-01 6.7450274E-02 23 2.3304019E+00 -1.2043072E-03 7.9292566E-05 9.2062106E-02 1.6702046E-01 -5.3784921E-02 24 1.2640445E+00 -1.1726263E-03 4.0893771E-05 4.9407483E-03 5.0556747E-01 -1.5506877E-01 25 6.7308110E-01 -9.0499485E-04 1.0163754E-05 8.2388696E-04 4.1069991E-01 -1.5195760E-01 26 3.5016338E-01 -9.9824593E-04 4.1295482E-05 -3.1408130E-04 1.3887381E-01 -1.2700672E-02 27 1.6250069E-01 -7.2593419E-04 2.6833050E-05 -4.1709371E-05 1.6332296E-02 2.4581028E-01 28 7.7109863E-02 -8.7750504E-04 3.5134299E-05 -1.9137841E-04 8.1834990E-04 4.5051780E-01 29 3.6580168E-02 -1.3328802E-04 6.0985314E-06 -4.9772334E-06 4.9077012E-04 3.6961191E-01 30 1.7236010E-02 -1.0806232E-03 4.2760316E-05 -1.8288683E-04 -3.5532273E-06 8.0918827E-02 3d 4d 5d 1 6.1024283E+04 3.0250224E-06 -1.5324333E-06 4.1149055E-07 2 1.4692679E+04 4.2273070E-05 -2.1341658E-05 5.7393233E-06 3 4.9051336E+03 3.4556841E-04 -1.7526456E-04 4.7101181E-05 4 1.9579044E+03 2.0222371E-03 -1.0264994E-03 2.7619570E-04 5 8.7787916E+02 9.1473882E-03 -4.6786316E-03 1.2593589E-03 6 4.2643111E+02 3.2598206E-02 -1.6796109E-02 4.5298630E-03 7 2.1887206E+02 9.1900739E-02 -4.8205019E-02 1.3030571E-02 8 1.1705532E+02 1.9880082E-01 -1.0532225E-01 2.8533807E-02 9 6.4219292E+01 3.1218294E-01 -1.6205045E-01 4.3731692E-02 10 3.5937939E+01 3.2252377E-01 -1.3601656E-01 3.4916941E-02 11 2.0225084E+01 1.8332777E-01 7.4807264E-02 -3.1086350E-02 12 1.1261071E+01 4.7281708E-02 3.4502272E-01 -1.1348605E-01 13 6.1854487E+00 4.1259989E-03 4.2406919E-01 -1.3844316E-01 14 3.3371404E+00 4.1087380E-04 2.4515147E-01 -2.9194798E-02 15 1.7304695E+00 -7.7081590E-05 5.6839555E-02 1.9512834E-01 16 8.6341140E-01 -3.5534250E-05 3.6409418E-03 3.6257080E-01 17 4.1297429E-01 -5.4805099E-05 6.4191707E-04 3.6835988E-01 18 1.8754267E-01 -1.8438624E-05 3.7504172E-05 2.4014789E-01 19 7.9256192E-02 -2.0252544E-05 6.1401619E-05 7.6161526E-02 4f 1 1.3510434E+03 8.8480241E-05 2 4.5876705E+02 9.9257623E-04 3 1.9570155E+02 6.1443898E-03 4 9.3951720E+01 2.5565813E-02 5 4.7970864E+01 7.4827561E-02 6 2.5408059E+01 1.6572013E-01 7 1.3653935E+01 2.6622667E-01 8 7.2290199E+00 3.2170081E-01 9 3.6887249E+00 2.8786296E-01 10 1.7495829E+00 1.6659412E-01 11 7.2991987E-01 4.2878132E-02 12 2.8417474E-01 1.7039795E-03 Foldy-Wouthuysen functions -------------------------- 1s 2s 3s 4s 5s 6s 1 6.2722200E+07 4.0203865E-04 -1.5642884E-04 7.4657225E-05 -3.6949187E-05 1.5432643E-05 -4.4393086E-06 2 1.6691888E+07 8.8808679E-04 -3.4607203E-04 1.6519384E-04 -8.1757505E-05 3.4147053E-05 -9.8226608E-06 3 5.7202814E+06 1.6166283E-03 -6.3090732E-04 3.0123364E-04 -1.4910594E-04 6.2281056E-05 -1.7915569E-05 4 2.1834202E+06 2.7177554E-03 -1.0640963E-03 5.0828997E-04 -2.5158478E-04 1.0507992E-04 -3.0227023E-05 5 9.1279212E+05 4.4577895E-03 -1.7519991E-03 8.3750942E-04 -4.1466158E-04 1.7322348E-04 -4.9828492E-05 6 4.0364118E+05 7.1957073E-03 -2.8455365E-03 1.3616766E-03 -6.7415180E-04 2.8159659E-04 -8.1002574E-05 7 1.8701900E+05 1.1670430E-02 -4.6498409E-03 2.2287032E-03 -1.1040236E-03 4.6129969E-04 -1.3269459E-04 8 8.9455107E+04 1.9141222E-02 -7.7096487E-03 3.7026203E-03 -1.8343633E-03 7.6642530E-04 -2.2047290E-04 9 4.3872107E+04 3.1976480E-02 -1.3060577E-02 6.2900046E-03 -3.1188952E-03 1.3035571E-03 -3.7497776E-04 10 2.1918233E+04 5.4132275E-02 -2.2571302E-02 1.0909156E-02 -5.4118529E-03 2.2618740E-03 -6.5067591E-04 11 1.1126912E+04 9.1221718E-02 -3.9232071E-02 1.9067247E-02 -9.4744023E-03 3.9618695E-03 -1.1397145E-03 12 5.7370167E+03 1.4742521E-01 -6.6721832E-02 3.2718937E-02 -1.6291716E-02 6.8149225E-03 -1.9606977E-03 13 3.0101895E+03 2.1500975E-01 -1.0583439E-01 5.2691213E-02 -2.6335421E-02 1.1028076E-02 -3.1730783E-03 14 1.6122153E+03 2.5777358E-01 -1.4458105E-01 7.3785438E-02 -3.7109529E-02 1.5559773E-02 -4.4784911E-03 15 8.8402523E+02 2.2147510E-01 -1.4165385E-01 7.4420232E-02 -3.7689171E-02 1.5833634E-02 -4.5572729E-03 16 4.9770697E+02 1.1131517E-01 -3.4132593E-02 1.3442163E-02 -6.2636602E-03 2.5678159E-03 -7.3880921E-04 17 2.9301159E+02 2.4146403E-02 1.7973295E-01 -1.3582057E-01 7.5124989E-02 -3.2190619E-02 9.3028577E-03 18 1.8041573E+02 3.0286868E-03 3.5095677E-01 -3.1474636E-01 1.8235439E-01 -7.9138716E-02 2.2883303E-02 19 1.1535774E+02 -8.9646333E-04 3.5152799E-01 -3.8263852E-01 2.3300310E-01 -1.0207068E-01 2.9610461E-02 20 7.4326545E+01 6.6348481E-04 2.0982183E-01 -2.3935368E-01 1.5528024E-01 -7.0092670E-02 2.0353900E-02 21 4.8177892E+01 -5.8473744E-04 6.0041974E-02 2.0726246E-01 -1.7712731E-01 8.4394016E-02 -2.4708367E-02 22 3.0325505E+01 2.8941018E-04 8.1131670E-03 6.2107903E-01 -7.0337332E-01 3.6173410E-01 -1.0761460E-01 23 1.8603500E+01 -2.0051614E-04 -2.6639912E-04 4.6702219E-01 -6.2138521E-01 3.2178235E-01 -9.5431740E-02 24 1.0987773E+01 1.2002798E-04 1.8563908E-04 1.1507253E-01 1.8824619E-01 -1.3773451E-01 4.1699568E-02 25 6.5657297E+00 -7.9255690E-05 -3.2708832E-04 5.9691762E-03 7.8554655E-01 -6.3118781E-01 2.0420733E-01 26 3.8995318E+00 5.5074189E-05 1.2652080E-04 2.4727809E-03 4.6613819E-01 -6.2107308E-01 2.1873773E-01 27 2.4498452E+00 -3.3359098E-05 -8.8143088E-05 -6.7528445E-04 9.0884753E-02 9.6119072E-02 -4.7329027E-02 28 1.3087804E+00 1.4873389E-05 4.7870829E-05 2.1315584E-04 1.2869251E-02 6.8133954E-01 -3.1115920E-01 29 7.4086736E-01 -9.7205393E-06 -2.4740700E-05 -2.0029047E-04 -2.8185733E-03 5.2806991E-01 -3.2657769E-01 30 4.1717813E-01 4.7654614E-06 1.4234549E-05 7.6622394E-05 1.8314972E-03 1.4783533E-01 -1.4327165E-01 31 2.1545647E-01 -2.3075793E-06 -6.4131194E-06 -3.8977151E-05 -7.1591311E-04 1.2215764E-02 1.8719345E-01 32 1.0893299E-01 1.0041732E-06 2.8901655E-06 1.7941260E-05 3.2229022E-04 1.6190241E-03 5.0053745E-01 33 5.4644572E-02 -4.2106388E-07 -1.2582891E-06 -5.7830108E-06 -1.4377026E-04 1.1408820E-03 4.5624413E-01 34 2.7088194E-02 9.1677843E-08 2.2736087E-07 1.7822680E-06 2.7750839E-05 2.4478706E-04 1.0936084E-01 2p 3p 4p 5p 6p 1 5.4702433E+07 3.0659248E-06 -1.5470934E-06 7.5766681E-07 -2.8962210E-07 6.7836020E-08 2 1.5522873E+07 1.1911873E-05 -6.0151029E-06 2.9389864E-06 -1.1209477E-06 2.6271689E-07 3 4.8207137E+06 2.9630449E-05 -1.5005925E-05 7.3517536E-06 -2.8101877E-06 6.5824815E-07 4 1.6193828E+06 6.8016775E-05 -3.4446055E-05 1.6840316E-05 -6.4238048E-06 1.5055754E-06 5 5.7883979E+05 1.5175120E-04 -7.7164480E-05 3.7833149E-05 -1.4463745E-05 3.3880385E-06 6 2.1811521E+05 3.3680789E-04 -1.7155577E-04 8.3978203E-05 -3.2045248E-05 7.5106082E-06 7 8.6153341E+04 7.5736837E-04 -3.8785476E-04 1.9040350E-04 -7.2805826E-05 1.7055569E-05 8 3.5582204E+04 1.7517709E-03 -9.0075382E-04 4.4188638E-04 -1.6872126E-04 3.9543959E-05 9 1.5362997E+04 4.2192277E-03 -2.1852434E-03 1.0751427E-03 -4.1125892E-04 9.6353423E-05 10 6.9371626E+03 1.0495719E-02 -5.4797532E-03 2.6979227E-03 -1.0310602E-03 2.4166332E-04 11 3.2728678E+03 2.6180899E-02 -1.3848312E-02 6.8452015E-03 -2.6208042E-03 6.1412806E-04 12 1.6084259E+03 6.2413676E-02 -3.3696347E-02 1.6722615E-02 -6.4019625E-03 1.5007740E-03 13 8.1975505E+02 1.3385291E-01 -7.4638581E-02 3.7362678E-02 -1.4344479E-02 3.3624112E-03 14 4.3071237E+02 2.3915376E-01 -1.3929978E-01 7.0440055E-02 -2.7071751E-02 6.3496637E-03 15 2.3213252E+02 3.1982647E-01 -1.9327425E-01 9.8910507E-02 -3.8179979E-02 8.9532742E-03 16 1.2753106E+02 2.6890386E-01 -1.2272191E-01 5.5061736E-02 -2.0433433E-02 4.7785733E-03 17 7.0997917E+01 1.1265985E-01 1.5686846E-01 -1.2470996E-01 5.2020282E-02 -1.2337654E-02 18 4.0276118E+01 1.6222089E-02 4.5472333E-01 -3.6447456E-01 1.5558541E-01 -3.6903229E-02 19 2.3241097E+01 1.0735100E-03 3.8942617E-01 -2.9451711E-01 1.1930901E-01 -2.8184789E-02 20 1.3373491E+01 -3.0221420E-04 1.3082689E-01 1.9078563E-01 -1.1825118E-01 2.9302318E-02 21 7.5326897E+00 7.4428124E-05 1.4390444E-02 5.5980814E-01 -3.3794350E-01 8.3609955E-02 22 4.2412212E+00 -1.1365892E-04 1.0479729E-03 3.9677701E-01 -2.6691032E-01 6.7458252E-02 23 2.3304019E+00 5.6862606E-05 1.2628707E-05 9.2210064E-02 1.6708097E-01 -5.3809100E-02 24 1.2640445E+00 -3.1878431E-05 6.5586981E-06 5.1124928E-03 5.0556563E-01 -1.5507680E-01 25 6.7308110E-01 1.9455718E-05 -3.5314379E-05 9.8185841E-04 4.1065398E-01 -1.5195197E-01 26 3.5016338E-01 -8.9956350E-06 7.2395725E-06 -1.5619736E-04 1.3883702E-01 -1.2687744E-02 27 1.6250069E-01 4.4620626E-06 -6.2262353E-06 8.1418886E-05 1.6309197E-02 2.4582143E-01 28 7.7109863E-02 -2.3501441E-06 3.0360077E-06 -5.0010675E-05 7.9421582E-04 4.5052778E-01 29 3.6580168E-02 1.0715159E-06 -1.2989257E-06 1.8781719E-05 4.8634351E-04 3.6961264E-01 30 1.7236010E-02 -3.0650248E-07 4.0384453E-07 -6.1209141E-06 -3.3939895E-05 8.0929353E-02 3d 4d 5d 1 6.1024283E+04 1.5548814E-05 -7.8437215E-06 2.1046918E-06 2 1.4692679E+04 9.8124650E-05 -4.9544588E-05 1.3326143E-05 3 4.9051336E+03 5.3006526E-04 -2.6869070E-04 7.2195608E-05 4 1.9579044E+03 2.5210164E-03 -1.2806313E-03 3.4463585E-04 5 8.7787916E+02 1.0281225E-02 -5.2626889E-03 1.4167246E-03 6 4.2643111E+02 3.4706948E-02 -1.7900617E-02 4.8285987E-03 7 2.1887206E+02 9.5012662E-02 -4.9888536E-02 1.3487865E-02 8 1.1705532E+02 2.0222349E-01 -1.0721854E-01 2.9051080E-02 9 6.4219292E+01 3.1474653E-01 -1.6345175E-01 4.4113004E-02 10 3.5937939E+01 3.2356549E-01 -1.3633863E-01 3.4986554E-02 11 2.0225084E+01 1.8358348E-01 7.5361900E-02 -3.1286956E-02 12 1.1261071E+01 4.7508843E-02 3.4554782E-01 -1.1367236E-01 13 6.1854487E+00 4.3391339E-03 4.2425814E-01 -1.3851927E-01 14 3.3371404E+00 5.6049384E-04 2.4516602E-01 -2.9159898E-02 15 1.7304695E+00 2.1975768E-05 5.6869389E-02 1.9518494E-01 16 8.6341140E-01 2.5189859E-05 3.6686253E-03 3.6260374E-01 17 4.1297429E-01 -1.5321882E-05 6.6277962E-04 3.6837285E-01 18 1.8754267E-01 1.3144765E-06 4.7085831E-05 2.4015197E-01 19 7.9256192E-02 -2.1832429E-06 7.0824853E-05 7.6165007E-02 4f 1 1.3510434E+03 1.0860876E-04 2 4.5876705E+02 1.0764688E-03 3 1.9570155E+02 6.3846113E-03 4 9.3951720E+01 2.6052423E-02 5 4.7970864E+01 7.5535355E-02 6 2.5408059E+01 1.6649115E-01 7 1.3653935E+01 2.6681182E-01 8 7.2290199E+00 3.2203010E-01 9 3.6887249E+00 2.8799379E-01 10 1.7495829E+00 1.6663340E-01 11 7.2991987E-01 4.2890343E-02 12 2.8417474E-01 1.7094347E-03 ** Ir 193 ** Large component functions ------------------------- 1s 2s 3s 4s 5s 6s 1 6.2632457E+07 1.6463194E-04 -6.3349110E-05 3.0237442E-05 -1.5004218E-05 -6.3431609E-06 -1.8324441E-06 2 1.6668377E+07 3.8994914E-04 -1.5058156E-04 7.1916500E-05 -3.5690348E-05 -1.5088901E-05 -4.3589885E-06 3 5.7097097E+06 7.7771604E-04 -3.0149114E-04 1.4407757E-04 -7.1514414E-05 -3.0235370E-05 -8.7346285E-06 4 2.1773440E+06 1.4179035E-03 -5.5297318E-04 2.6451721E-04 -1.3132143E-04 -5.5524155E-05 -1.6040475E-05 5 9.0923239E+05 2.5493773E-03 -1.0011518E-03 4.7941533E-04 -2.3808555E-04 -1.0067117E-04 -2.9083129E-05 6 4.0171747E+05 4.5095933E-03 -1.7871128E-03 8.5707146E-04 -4.2574641E-04 -1.8003663E-04 -5.2012544E-05 7 1.8624645E+05 8.0043706E-03 -3.2051465E-03 1.5395290E-03 -7.6515224E-04 -3.2358986E-04 -9.3484690E-05 8 8.9430094E+04 1.4228617E-02 -5.7697793E-03 2.7773298E-03 -1.3807611E-03 -5.8400940E-04 -1.6872713E-04 9 4.4243040E+04 2.5351167E-02 -1.0437814E-02 5.0358267E-03 -2.5056862E-03 -1.0599429E-03 -3.0622557E-04 10 2.2422615E+04 4.4827512E-02 -1.8832439E-02 9.1185054E-03 -4.5392687E-03 -1.9205849E-03 -5.5491587E-04 11 1.1615563E+04 7.7342597E-02 -3.3455940E-02 1.6274898E-02 -8.1151877E-03 -3.4344688E-03 -9.9230433E-04 12 6.1392268E+03 1.2668082E-01 -5.7353445E-02 2.8136737E-02 -1.4048939E-02 -5.9486919E-03 -1.7190057E-03 13 3.3077591E+03 1.8834814E-01 -9.1819558E-02 4.5625023E-02 -2.2875181E-02 -9.6930605E-03 -2.8010295E-03 14 1.8165542E+03 2.3637102E-01 -1.2903628E-01 6.5573416E-02 -3.3008188E-02 -1.4005444E-02 -4.0487801E-03 15 1.0177194E+03 2.2355933E-01 -1.3903024E-01 7.2454448E-02 -3.6814287E-02 -1.5643814E-02 -4.5219372E-03 16 5.8277457E+02 1.3505557E-01 -6.6242518E-02 3.2773716E-02 -1.6211204E-02 -6.8648044E-03 -1.9861437E-03 17 3.4258918E+02 4.1341123E-02 1.1871872E-01 -9.0461950E-02 4.9606828E-02 2.1514808E-02 6.2467461E-03 18 2.0843540E+02 5.1186229E-03 3.2916634E-01 -2.7990598E-01 1.6174933E-01 7.0836718E-02 2.0567643E-02 19 1.2897151E+02 2.5948002E-04 3.9454736E-01 -4.2132781E-01 2.5340296E-01 1.1227880E-01 3.2704007E-02 20 7.9127728E+01 4.5508162E-05 2.5402277E-01 -2.7513544E-01 1.8077117E-01 8.2195043E-02 2.3987856E-02 21 4.6130893E+01 -9.8296677E-05 6.3237760E-02 2.9029008E-01 -2.6881028E-01 -1.3131925E-01 -3.8759901E-02 22 2.8962076E+01 4.2761564E-05 -1.7932374E-03 6.2367640E-01 -7.2809595E-01 -3.8494069E-01 -1.1547057E-01 23 1.8419384E+01 -5.7874220E-05 3.8528251E-03 3.6318654E-01 -5.1243779E-01 -2.6311359E-01 -7.7790814E-02 24 1.2319509E+01 4.0848587E-05 -2.1004351E-03 1.1479553E-01 1.2947621E-01 8.7848725E-02 2.5605242E-02 25 7.2638879E+00 -1.4882327E-05 7.2607456E-04 1.8607071E-02 7.6149893E-01 6.1953643E-01 2.0152038E-01 26 4.2595464E+00 1.0605697E-05 -4.5341873E-04 -6.6457888E-04 5.6139694E-01 6.8069972E-01 2.3864966E-01 27 2.3131504E+00 -6.3363183E-06 2.6135487E-04 9.8052667E-04 9.8260258E-02 -8.5046618E-02 -4.7286904E-02 28 1.3863194E+00 4.2201463E-06 -1.7625497E-04 -7.0573845E-04 -3.5219621E-03 -6.6572055E-01 -3.0507724E-01 29 8.0618429E-01 -2.6050528E-06 1.0552454E-04 3.0914541E-04 3.6068029E-03 -5.1568060E-01 -3.1830028E-01 30 4.6660701E-01 1.1581434E-06 -4.7434541E-05 -1.6715383E-04 -8.3660562E-04 -1.6934075E-01 -1.4422936E-01 31 2.2410950E-01 -4.7173964E-07 1.9200331E-05 6.1509137E-05 3.7503056E-04 -1.5973882E-02 1.8375212E-01 32 1.1629622E-01 2.4100101E-07 -9.8351303E-06 -3.0698204E-05 -1.8364811E-04 -1.4412187E-04 4.8213231E-01 33 5.8734264E-02 -9.2264211E-08 3.7382599E-06 1.3280008E-05 5.2085944E-05 -1.5798059E-03 4.5856572E-01 34 2.9002058E-02 2.1770843E-08 -8.9233234E-07 -2.5891447E-06 -1.8167459E-05 -1.7208700E-04 1.1944617E-01 2p 3p 4p 5p 6p 1 5.6087813E+07 3.9193971E-06 -2.0025302E-06 9.8503572E-07 -3.8218017E-07 8.8587478E-08 2 1.6153892E+07 1.3535724E-05 -6.9161689E-06 3.4018746E-06 -1.3197804E-06 3.0592436E-07 3 5.0677109E+06 3.2172287E-05 -1.6443350E-05 8.0891352E-06 -3.1385674E-06 7.2750373E-07 4 1.7164343E+06 7.0035241E-05 -3.5811790E-05 1.7617479E-05 -6.8348583E-06 1.5843360E-06 5 6.1777787E+05 1.4755480E-04 -7.5521206E-05 3.7165431E-05 -1.4421882E-05 3.3429058E-06 6 2.3405955E+05 3.1087685E-04 -1.5936574E-04 7.8440822E-05 -3.0433295E-05 7.0547533E-06 7 9.2800345E+04 6.7225211E-04 -3.4560016E-04 1.7026601E-04 -6.6092930E-05 1.5319979E-05 8 3.8418330E+04 1.5265547E-03 -7.8812194E-04 3.8851878E-04 -1.5077036E-04 3.4952808E-05 9 1.6614372E+04 3.6754258E-03 -1.9092225E-03 9.4298679E-04 -3.6628648E-04 8.4905944E-05 10 7.5084764E+03 9.2502609E-03 -4.8441222E-03 2.3957166E-03 -9.3024415E-04 2.1568283E-04 11 3.5413341E+03 2.3450420E-02 -1.2430688E-02 6.1695190E-03 -2.3991793E-03 5.5619284E-04 12 1.7382606E+03 5.6920879E-02 -3.0761640E-02 1.5326816E-02 -5.9604134E-03 1.3822741E-03 13 8.8452069E+02 1.2457329E-01 -6.9431178E-02 3.4882918E-02 -1.3602864E-02 3.1544376E-03 14 4.6403513E+02 2.2801281E-01 -1.3253439E-01 6.7227998E-02 -2.6240957E-02 6.0889226E-03 15 2.4974630E+02 3.1488206E-01 -1.9033384E-01 9.7790524E-02 -3.8346640E-02 8.8962754E-03 16 1.3710068E+02 2.7693426E-01 -1.3415292E-01 6.2287438E-02 -2.3677154E-02 5.4824905E-03 17 7.6326436E+01 1.2373314E-01 1.3152938E-01 -1.0818555E-01 4.6022713E-02 -1.0811755E-02 18 4.3285764E+01 1.9782245E-02 4.4069616E-01 -3.5275954E-01 1.5295665E-01 -3.5904046E-02 19 2.5017090E+01 1.2841479E-03 4.0533433E-01 -3.1720048E-01 1.3242715E-01 -3.1020168E-02 20 1.4417902E+01 -2.7167373E-04 1.4717089E-01 1.5333302E-01 -1.0158574E-01 2.5094286E-02 21 8.1248927E+00 6.6449898E-05 1.7591286E-02 5.5312319E-01 -3.3852573E-01 8.2949850E-02 22 4.5904468E+00 -1.1549481E-04 1.1507253E-03 4.1917547E-01 -2.9086220E-01 7.3117141E-02 23 2.5389400E+00 5.8333801E-05 3.6360848E-05 1.0466476E-01 1.4377815E-01 -4.7692558E-02 24 1.3883217E+00 -3.2288335E-05 -2.9594634E-06 6.4740928E-03 5.0131901E-01 -1.5244963E-01 25 7.4380647E-01 1.9898263E-05 -3.8080894E-05 1.1090363E-03 4.2327988E-01 -1.5207014E-01 26 3.8824218E-01 -8.6744698E-06 5.4591365E-06 -1.4393336E-04 1.5164159E-01 -1.9576350E-02 27 1.7730746E-01 4.1834013E-06 -6.0927841E-06 8.4783536E-05 1.8389714E-02 2.3343261E-01 28 8.3178046E-02 -2.1645795E-06 2.8303684E-06 -5.0412392E-05 4.4728620E-04 4.4705587E-01 29 3.8896432E-02 9.8286446E-07 -1.1916394E-06 1.8772733E-05 6.1460100E-04 3.8241389E-01 30 1.8072660E-02 -2.8361076E-07 3.8026158E-07 -6.2281369E-06 -6.9018940E-05 8.8186619E-02 3d 4d 5d 1 6.4611894E+04 1.3648565E-05 -6.9451159E-06 1.9454627E-06 2 1.5520560E+04 8.7517678E-05 -4.4539851E-05 1.2486740E-05 3 5.1673228E+03 4.8574552E-04 -2.4821911E-04 6.9571303E-05 4 2.0574349E+03 2.3590174E-03 -1.2076033E-03 3.3887398E-04 5 9.2067122E+02 9.7677773E-03 -5.0376965E-03 1.4142792E-03 6 4.4658166E+02 3.3388055E-02 -1.7347428E-02 4.8798827E-03 7 2.2900269E+02 9.2376921E-02 -4.8848113E-02 1.3772419E-02 8 1.2241111E+02 1.9862211E-01 -1.0609898E-01 2.9984483E-02 9 6.7154203E+01 3.1223191E-01 -1.6352171E-01 4.6029566E-02 10 3.7589144E+01 3.2464865E-01 -1.3907206E-01 3.7273915E-02 11 2.1169241E+01 1.8685046E-01 7.0683360E-02 -3.1476446E-02 12 1.1804259E+01 4.9290301E-02 3.4331572E-01 -1.1846826E-01 13 6.5005834E+00 4.5829042E-03 4.2610471E-01 -1.4618173E-01 14 3.5230532E+00 5.6511041E-04 2.4655229E-01 -3.0216100E-02 15 1.8394438E+00 1.4467627E-05 5.7221753E-02 2.0452865E-01 16 9.2489216E-01 2.3456914E-05 3.8112083E-03 3.6981341E-01 17 4.4573515E-01 -1.7234025E-05 6.8901362E-04 3.6453274E-01 18 2.0390409E-01 8.8760185E-07 7.7682278E-05 2.2970132E-01 19 8.6705035E-02 -2.3776913E-06 7.2584964E-05 6.9567987E-02 4f 1 1.4337109E+03 1.0112883E-04 2 4.8606544E+02 1.0226029E-03 3 2.0726353E+02 6.1384503E-03 4 9.9496776E+01 2.5352750E-02 5 5.0854312E+01 7.4241166E-02 6 2.6973264E+01 1.6507213E-01 7 1.4533542E+01 2.6664147E-01 8 7.7292504E+00 3.2310194E-01 9 3.9738344E+00 2.8757083E-01 10 1.9067697E+00 1.6299394E-01 11 8.0900327E-01 4.0746564E-02 12 3.1790680E-01 1.7232676E-03 Pseudo-large component functions -------------------------------- 1s 2s 3s 4s 5s 6s 1 6.2632457E+07 4.0576360E-06 -1.5574110E-06 7.4305987E-07 -3.6868786E-07 -1.5586211E-07 -4.5025916E-08 2 1.6668377E+07 2.6692113E-05 -1.0245969E-05 4.8887447E-06 -2.4255460E-06 -1.0253993E-06 -2.9622294E-07 3 5.7097097E+06 8.6538063E-05 -3.3236581E-05 1.5859050E-05 -7.8692177E-06 -3.3267137E-06 -9.6102933E-07 4 2.1773440E+06 2.5328552E-04 -9.7339985E-05 4.6454729E-05 -2.3048823E-05 -9.7440143E-06 -2.8149220E-06 5 9.0923239E+05 6.4610852E-04 -2.4859094E-04 1.1864888E-04 -5.8879789E-05 -2.4891814E-05 -7.1907880E-06 6 4.0171747E+05 1.5798134E-03 -6.0883406E-04 2.9070842E-04 -1.4424684E-04 -6.0982961E-05 -1.7617399E-05 7 1.8624645E+05 3.6211170E-03 -1.3996352E-03 6.6852910E-04 -3.3184006E-04 -1.4029351E-04 -4.0528206E-05 8 8.9430094E+04 8.0276470E-03 -3.1176146E-03 1.4906671E-03 -7.3985316E-04 -3.1281158E-04 -9.0370195E-05 9 4.4243040E+04 1.7004126E-02 -6.6599614E-03 3.1883646E-03 -1.5836213E-03 -6.6960238E-04 -1.9343810E-04 10 2.2422615E+04 3.4571791E-02 -1.3737677E-02 6.5957459E-03 -3.2766250E-03 -1.3856979E-03 -4.0034310E-04 11 1.1615563E+04 6.6234457E-02 -2.7000744E-02 1.3018345E-02 -6.4780375E-03 -2.7402344E-03 -7.9165424E-04 12 6.1392268E+03 1.1736763E-01 -4.9981353E-02 2.4302813E-02 -1.2108563E-02 -5.1245457E-03 -1.4807409E-03 13 3.3077591E+03 1.8445193E-01 -8.4595977E-02 4.1678376E-02 -2.0855501E-02 -8.8330803E-03 -2.5523146E-03 14 1.8165542E+03 2.4067473E-01 -1.2387471E-01 6.2478597E-02 -3.1394535E-02 -1.3315318E-02 -3.8490347E-03 15 1.0177194E+03 2.3335177E-01 -1.3774111E-01 7.1437081E-02 -3.6259479E-02 -1.5404303E-02 -4.4525327E-03 16 5.8277457E+02 1.4324505E-01 -6.8965258E-02 3.4603644E-02 -1.7201094E-02 -7.2918436E-03 -2.1098825E-03 17 3.4258918E+02 4.4133180E-02 1.1494954E-01 -8.6494806E-02 4.7283784E-02 2.0494240E-02 5.9500561E-03 18 2.0843540E+02 5.5897173E-03 3.2824079E-01 -2.7621203E-01 1.5928268E-01 6.9722399E-02 2.0242416E-02 19 1.2897151E+02 1.5937978E-04 3.9688212E-01 -4.2010458E-01 2.5229937E-01 1.1175503E-01 3.2549863E-02 20 7.9127728E+01 1.5941041E-04 2.5643725E-01 -2.7674295E-01 1.8183326E-01 8.2671042E-02 2.4126794E-02 21 4.6130893E+01 -2.2755673E-04 6.4021642E-02 2.8846998E-01 -2.6637146E-01 -1.3002748E-01 -3.8373356E-02 22 2.8962076E+01 1.9584692E-04 -1.8796700E-03 6.2464522E-01 -7.2757026E-01 -3.8451728E-01 -1.1533717E-01 23 1.8419384E+01 -2.2119366E-04 3.9589312E-03 3.6382429E-01 -5.1273679E-01 -2.6329179E-01 -7.7846636E-02 24 1.2319509E+01 1.6992356E-04 -2.1731052E-03 1.1526834E-01 1.2883870E-01 8.7369261E-02 2.5455819E-02 25 7.2638879E+00 -9.3908807E-05 7.6486058E-04 1.8563706E-02 7.6160812E-01 6.1925459E-01 2.0140871E-01 26 4.2595464E+00 6.5720289E-05 -4.7881214E-04 -6.0602472E-04 5.6168391E-01 6.8077199E-01 2.3866880E-01 27 2.3131504E+00 -5.2435876E-05 2.8135357E-04 9.3198931E-04 9.8341911E-02 -8.4941838E-02 -4.7232146E-02 28 1.3863194E+00 4.6472829E-05 -1.9381783E-04 -6.6096723E-04 -3.5425349E-03 -6.6575554E-01 -3.0506829E-01 29 8.0618429E-01 -3.4444214E-05 1.1836444E-04 2.7503172E-04 3.6224613E-03 -5.1571167E-01 -3.1829676E-01 30 4.6660701E-01 2.0781326E-05 -5.5140076E-05 -1.4602533E-04 -8.4565726E-04 -1.6936203E-01 -1.4423682E-01 31 2.2410950E-01 -1.2065080E-05 2.3637631E-05 4.8931820E-05 3.8028100E-04 -1.5971838E-02 1.8375053E-01 32 1.1629622E-01 8.7526077E-06 -1.3037710E-05 -2.1419507E-05 -1.8744880E-04 -1.4641864E-04 4.8213181E-01 33 5.8734264E-02 -5.0909253E-06 5.5946281E-06 7.8093515E-06 5.4297831E-05 -1.5784483E-03 4.5856804E-01 34 2.9002058E-02 1.8544681E-06 -1.5662831E-06 -5.7731862E-07 -1.8973051E-05 -1.7259459E-04 1.1944670E-01 2p 3p 4p 5p 6p 1 5.6087813E+07 2.3310426E-08 -1.1923054E-08 5.8705983E-09 -2.2799795E-09 5.2837434E-10 2 1.6153892E+07 1.5893088E-07 -8.1313179E-08 3.9982084E-08 -1.5499306E-08 3.5934718E-09 3 5.0677109E+06 7.2909024E-07 -3.7349860E-07 1.8395425E-07 -7.1442226E-08 1.6556883E-08 4 1.7164343E+06 2.9532968E-06 -1.5144792E-06 7.4505270E-07 -2.8884789E-07 6.6970087E-08 5 6.1777787E+05 1.1396626E-05 -5.8562208E-06 2.8863047E-06 -1.1211185E-06 2.5982672E-07 6 2.3405955E+05 4.2927040E-05 -2.2095662E-05 1.0879940E-05 -4.2191209E-06 9.7821859E-07 7 9.2800345E+04 1.5883283E-04 -8.1964110E-05 4.0432105E-05 -1.5706134E-05 3.6402116E-06 8 3.8418330E+04 5.7161469E-04 -2.9569564E-04 1.4578557E-04 -5.6556873E-05 1.3112847E-05 9 1.6614372E+04 1.9680258E-03 -1.0220517E-03 5.0485981E-04 -1.9615167E-04 4.5465420E-05 10 7.5084764E+03 6.3576298E-03 -3.3205186E-03 1.6409338E-03 -6.3697193E-04 1.4768894E-04 11 3.5413341E+03 1.8907945E-02 -9.9805809E-03 4.9489706E-03 -1.9243154E-03 4.4608482E-04 12 1.7382606E+03 5.0530955E-02 -2.7170702E-02 1.3521109E-02 -5.2565497E-03 1.2190195E-03 13 8.8452069E+02 1.1696484E-01 -6.4870458E-02 3.2556265E-02 -1.2693009E-02 2.9433359E-03 14 4.6403513E+02 2.2095716E-01 -1.2789824E-01 6.4815003E-02 -2.5293468E-02 5.8689542E-03 15 2.4974630E+02 3.1044602E-01 -1.8720309E-01 9.6149539E-02 -3.7701403E-02 8.7464913E-03 16 1.3710068E+02 2.7488999E-01 -1.3358465E-01 6.2199879E-02 -2.3663067E-02 5.4798020E-03 17 7.6326436E+01 1.2182568E-01 1.3062781E-01 -1.0711962E-01 4.5544232E-02 -1.0698831E-02 18 4.3285764E+01 1.7526915E-02 4.4045786E-01 -3.5189205E-01 1.5252995E-01 -3.5802458E-02 19 2.5017090E+01 -8.1557725E-04 4.0604002E-01 -3.1751609E-01 1.3258042E-01 -3.1056897E-02 20 1.4417902E+01 -2.1704174E-03 1.4753291E-01 1.5271220E-01 -1.0122075E-01 2.5005300E-02 21 8.1248927E+00 -1.6101161E-03 1.7717623E-02 5.5281629E-01 -3.3827001E-01 8.2885072E-02 22 4.5904468E+00 -1.5832209E-03 1.1917974E-03 4.1909984E-01 -2.9081908E-01 7.3107679E-02 23 2.5389400E+00 -1.2388232E-03 1.0129811E-04 1.0448768E-01 1.4377370E-01 -4.7683755E-02 24 1.3883217E+00 -1.2142782E-03 3.2188416E-05 6.2896617E-03 5.0134845E-01 -1.5244960E-01 25 7.4380647E-01 -9.3606186E-04 7.3913657E-06 9.4504433E-04 4.2332647E-01 -1.5207729E-01 26 3.8824218E-01 -1.0504207E-03 4.0839070E-05 -3.1225889E-04 1.5167754E-01 -1.9587681E-02 27 1.7730746E-01 -7.9075805E-04 2.8573117E-05 -4.9419683E-05 1.8413989E-02 2.3342294E-01 28 8.3178046E-02 -8.9765608E-04 3.5061010E-05 -1.9645449E-04 4.7199739E-04 4.4704667E-01 29 3.8896432E-02 -1.8504798E-04 8.0112278E-06 -1.3461218E-05 6.2039034E-04 3.8241259E-01 30 1.8072660E-02 -1.1002494E-03 4.2513629E-05 -1.8753270E-04 -3.8000292E-05 8.8175752E-02 3d 4d 5d 1 6.4611894E+04 2.9014593E-06 -1.4807427E-06 4.1456192E-07 2 1.5520560E+04 4.0543250E-05 -2.0621675E-05 5.7834205E-06 3 5.1673228E+03 3.3252741E-04 -1.6990615E-04 4.7611534E-05 4 2.0574349E+03 1.9539350E-03 -9.9921666E-04 2.8037199E-04 5 9.2067122E+02 8.8773116E-03 -4.5739851E-03 1.2838423E-03 6 4.4658166E+02 3.1792729E-02 -1.6501490E-02 4.6412052E-03 7 2.2900269E+02 9.0108424E-02 -4.7605248E-02 1.3419871E-02 8 1.2241111E+02 1.9621295E-01 -1.0474717E-01 2.9599830E-02 9 6.7154203E+01 3.1045054E-01 -1.6254673E-01 4.5753631E-02 10 3.7589144E+01 3.2388122E-01 -1.3885322E-01 3.7228517E-02 11 2.1169241E+01 1.8653648E-01 7.0358599E-02 -3.1345125E-02 12 1.1804259E+01 4.9007231E-02 3.4300479E-01 -1.1834342E-01 13 6.5005834E+00 4.3517533E-03 4.2599089E-01 -1.4613190E-01 14 3.5230532E+00 4.0918281E-04 2.4652727E-01 -3.0240256E-02 15 1.8394438E+00 -8.9342701E-05 5.7181584E-02 2.0449173E-01 16 9.2489216E-01 -4.0161730E-05 3.7805341E-03 3.6979098E-01 17 4.4573515E-01 -5.9124902E-05 6.6677416E-04 3.6452242E-01 18 2.0390409E-01 -1.9999946E-05 6.7435165E-05 2.2969708E-01 19 8.6705035E-02 -2.1870310E-05 6.2352559E-05 6.9563817E-02 4f 1 1.4337109E+03 8.4597154E-05 2 4.8606544E+02 9.5582097E-04 3 2.0726353E+02 5.9522900E-03 4 9.9496776E+01 2.4988143E-02 5 5.0854312E+01 7.3719591E-02 6 2.6973264E+01 1.6451677E-01 7 1.4533542E+01 2.6621611E-01 8 7.7292504E+00 3.2285602E-01 9 3.9738344E+00 2.8746637E-01 10 1.9067697E+00 1.6295555E-01 11 8.0900327E-01 4.0732004E-02 12 3.1790680E-01 1.7169266E-03 Foldy-Wouthuysen functions -------------------------- 1s 2s 3s 4s 5s 6s 1 6.2632457E+07 4.2852319E-04 -1.6752271E-04 8.0095635E-05 -3.9773183E-05 -1.6814172E-05 -4.8578365E-06 2 1.6668377E+07 9.4472326E-04 -3.6987390E-04 1.7688273E-04 -8.7834139E-05 -3.7132713E-05 -1.0728226E-05 3 5.7097097E+06 1.7166317E-03 -6.7314936E-04 3.2197498E-04 -1.5990792E-04 -6.7603213E-05 -1.9531362E-05 4 2.1773440E+06 2.8810054E-03 -1.1333676E-03 5.4241575E-04 -2.6936906E-04 -1.1388516E-04 -3.2903415E-05 5 9.0923239E+05 4.7172190E-03 -1.8632254E-03 8.9222987E-04 -4.4325492E-04 -1.8740649E-04 -5.4143329E-05 6 4.0171747E+05 7.5930854E-03 -3.0176165E-03 1.4468955E-03 -7.1871258E-04 -3.0390084E-04 -8.7802423E-05 7 1.8624645E+05 1.2243080E-02 -4.9046922E-03 2.3548376E-03 -1.1705351E-03 -4.9498201E-04 -1.4300272E-04 8 8.9430094E+04 1.9854093E-02 -8.0407788E-03 3.8697274E-03 -1.9233754E-03 -8.1349107E-04 -2.3503982E-04 9 4.4243040E+04 3.2572842E-02 -1.3384370E-02 6.4568892E-03 -3.2130181E-03 -1.3591220E-03 -3.9267234E-04 10 2.2422615E+04 5.3761226E-02 -2.2542839E-02 1.0919314E-02 -5.4344539E-03 -2.2993304E-03 -6.6436899E-04 11 1.1615563E+04 8.7883715E-02 -3.7983362E-02 1.8488328E-02 -9.2200229E-03 -3.9018748E-03 -1.1273088E-03 12 6.1392268E+03 1.3818411E-01 -6.2624266E-02 3.0756689E-02 -1.5357028E-02 -6.5028307E-03 -1.8790767E-03 13 3.3077591E+03 1.9911482E-01 -9.7445432E-02 4.8493328E-02 -2.4325028E-02 -1.0307773E-02 -2.9785386E-03 14 1.8165542E+03 2.4357443E-01 -1.3399268E-01 6.8253108E-02 -3.4370883E-02 -1.4586322E-02 -4.2168648E-03 15 1.0177194E+03 2.2512698E-01 -1.4167111E-01 7.4073575E-02 -3.7676313E-02 -1.6016914E-02 -4.6301845E-03 16 5.8277457E+02 1.3274382E-01 -6.5261427E-02 3.2489171E-02 -1.6086984E-02 -6.8165410E-03 -1.9726100E-03 17 3.4258918E+02 3.9158372E-02 1.2241443E-01 -9.2761717E-02 5.0812952E-02 2.2036621E-02 6.3984181E-03 18 2.0843540E+02 4.3269250E-03 3.3265106E-01 -2.8301962E-01 1.6364587E-01 7.1672421E-02 2.0810025E-02 19 1.2897151E+02 3.6401836E-05 3.9554940E-01 -4.2339666E-01 2.5474295E-01 1.1288709E-01 3.2882738E-02 20 7.9127728E+01 -2.4959676E-05 2.5330217E-01 -2.7450660E-01 1.8063739E-01 8.2172823E-02 2.3982646E-02 21 4.6130893E+01 -1.2864215E-04 6.2618228E-02 2.9230215E-01 -2.7042045E-01 -1.3208407E-01 -3.8983963E-02 22 2.8962076E+01 3.1626283E-05 -1.9999192E-03 6.2457943E-01 -7.2942459E-01 -3.8570062E-01 -1.1570251E-01 23 1.8419384E+01 -6.8332882E-05 3.8414158E-03 3.6279583E-01 -5.1221593E-01 -2.6298594E-01 -7.7749069E-02 24 1.2319509E+01 3.6535271E-05 -2.1214972E-03 1.1461444E-01 1.3010468E-01 8.8167540E-02 2.5695644E-02 25 7.2638879E+00 -1.9715906E-05 7.2685120E-04 1.8556984E-02 7.6183404E-01 6.1985710E-01 2.0162985E-01 26 4.2595464E+00 9.2681515E-06 -4.5586620E-04 -6.8988138E-04 5.6134059E-01 6.8072209E-01 2.3866293E-01 27 2.3131504E+00 -7.0303824E-06 2.6278082E-04 9.7365461E-04 9.8200966E-02 -8.5171014E-02 -4.7333029E-02 28 1.3863194E+00 4.1448213E-06 -1.7828100E-04 -7.0539775E-04 -3.5375040E-03 -6.6577750E-01 -3.0510318E-01 29 8.0618429E-01 -2.7943932E-06 1.0502099E-04 3.0834417E-04 3.6097873E-03 -5.1566715E-01 -3.1830028E-01 30 4.6660701E-01 1.1965897E-06 -4.7932825E-05 -1.6796043E-04 -8.3690041E-04 -1.6933192E-01 -1.4422468E-01 31 2.2410950E-01 -5.3712620E-07 1.9200929E-05 6.1568451E-05 3.7442463E-04 -1.5972368E-02 1.8375637E-01 32 1.1629622E-01 2.0680498E-07 -9.9973679E-06 -3.0490982E-05 -1.8382924E-04 -1.4321749E-04 4.8213466E-01 33 5.8734264E-02 -1.1199803E-07 3.7422498E-06 1.3158604E-05 5.2201779E-05 -1.5797571E-03 4.5856528E-01 34 2.9002058E-02 1.0684674E-08 -8.9638512E-07 -2.5806087E-06 -1.8293587E-05 -1.7215878E-04 1.1944573E-01 2p 3p 4p 5p 6p 1 5.6087813E+07 3.0692312E-06 -1.5523925E-06 7.6344141E-07 -2.9642176E-07 6.8678239E-08 2 1.6153892E+07 1.2083127E-05 -6.1171399E-06 3.0022221E-06 -1.1632542E-06 2.6972781E-07 3 5.0677109E+06 2.9948990E-05 -1.5204770E-05 7.4804100E-06 -2.9043531E-06 6.7296567E-07 4 1.7164343E+06 6.8350187E-05 -3.4702613E-05 1.7041655E-05 -6.6038690E-06 1.5312887E-06 5 6.1777787E+05 1.5150346E-04 -7.7227133E-05 3.8023131E-05 -1.4765232E-05 3.4213602E-06 6 2.3405955E+05 3.3403664E-04 -1.7056288E-04 8.3862772E-05 -3.2509050E-05 7.5380963E-06 7 9.2800345E+04 7.4573082E-04 -3.8281285E-04 1.8872481E-04 -7.3301910E-05 1.6986810E-05 8 3.8418330E+04 1.7083009E-03 -8.8047984E-04 4.3383093E-04 -1.6826963E-04 3.9017332E-05 9 1.6614372E+04 4.0659239E-03 -2.1107826E-03 1.0429616E-03 -4.0525715E-04 9.3925972E-05 10 7.5084764E+03 1.0008596E-02 -5.2366680E-03 2.5892786E-03 -1.0051807E-03 2.3308164E-04 11 3.5413341E+03 2.4821809E-02 -1.3153988E-02 6.5295533E-03 -2.5395340E-03 5.8869337E-04 12 1.7382606E+03 5.9173828E-02 -3.1980510E-02 1.5934743E-02 -6.1964640E-03 1.4370789E-03 13 8.8452069E+02 1.2773645E-01 -7.1240720E-02 3.5800990E-02 -1.3962110E-02 3.2376747E-03 14 4.6403513E+02 2.3139329E-01 -1.3464628E-01 6.8322934E-02 -2.6669679E-02 6.1885827E-03 15 2.4974630E+02 3.1709829E-01 -1.9197347E-01 9.8686448E-02 -3.8703680E-02 8.9791034E-03 16 1.3710068E+02 2.7720810E-01 -1.3426361E-01 6.2337957E-02 -2.3694673E-02 5.4867539E-03 17 7.6326436E+01 1.2324676E-01 1.3270316E-01 -1.0895627E-01 4.6338269E-02 -1.0885712E-02 18 4.3285764E+01 1.9571115E-02 4.4173080E-01 -3.5366777E-01 1.5336583E-01 -3.6000334E-02 19 2.5017090E+01 1.2545705E-03 4.0536698E-01 -3.1727758E-01 1.3245655E-01 -3.1027213E-02 20 1.4417902E+01 -2.7786352E-04 1.4700478E-01 1.5375737E-01 -1.0179744E-01 2.5145099E-02 21 8.1248927E+00 6.5603524E-05 1.7540132E-02 5.5334949E-01 -3.3867624E-01 8.2987311E-02 22 4.5904468E+00 -1.1614655E-04 1.1465322E-03 4.1915445E-01 -2.9087017E-01 7.3120253E-02 23 2.5389400E+00 5.8249038E-05 3.3492418E-05 1.0462957E-01 1.4384473E-01 -4.7711370E-02 24 1.3883217E+00 -3.2452767E-05 -2.0655529E-06 6.4684258E-03 5.0135007E-01 -1.5245906E-01 25 7.4380647E-01 1.9891221E-05 -3.8786602E-05 1.1085595E-03 4.2327916E-01 -1.5207190E-01 26 3.8824218E-01 -8.6816953E-06 5.6821738E-06 -1.4413956E-04 1.5163728E-01 -1.9574020E-02 27 1.7730746E-01 4.1835648E-06 -6.2132917E-06 8.4781596E-05 1.8389051E-02 2.3343486E-01 28 8.3178046E-02 -2.1674132E-06 2.8896091E-06 -5.0434458E-05 4.4703211E-04 4.4705710E-01 29 3.8896432E-02 9.8347976E-07 -1.2212154E-06 1.8788460E-05 6.1463856E-04 3.8241382E-01 30 1.8072660E-02 -2.8394996E-07 3.8909684E-07 -6.2397784E-06 -6.9025163E-05 8.8186465E-02 3d 4d 5d 1 6.4611894E+04 1.5408737E-05 -7.8298063E-06 2.1904750E-06 2 1.5520560E+04 9.6574877E-05 -4.9127331E-05 1.3780419E-05 3 5.1673228E+03 5.1836871E-04 -2.6470591E-04 7.4161743E-05 4 2.0574349E+03 2.4580095E-03 -1.2579456E-03 3.5303653E-04 5 9.2067122E+02 1.0027381E-02 -5.1707142E-03 1.4514984E-03 6 4.4658166E+02 3.3942532E-02 -1.7635611E-02 4.9611182E-03 7 2.2900269E+02 9.3300712E-02 -4.9344232E-02 1.3912515E-02 8 1.2241111E+02 1.9975301E-01 -1.0672350E-01 3.0162248E-02 9 6.7154203E+01 3.1312797E-01 -1.6402343E-01 4.6172874E-02 10 3.7589144E+01 3.2498498E-01 -1.3920938E-01 3.7310007E-02 11 2.1169241E+01 1.8680493E-01 7.0931299E-02 -3.1562963E-02 12 1.1804259E+01 4.9240661E-02 3.4355923E-01 -1.1854982E-01 13 6.5005834E+00 4.5724705E-03 4.2619213E-01 -1.4621740E-01 14 3.5230532E+00 5.6500587E-04 2.4654073E-01 -3.0199928E-02 15 1.8394438E+00 1.3966450E-05 5.7212583E-02 2.0455478E-01 16 9.2489216E-01 2.3628103E-05 3.8095732E-03 3.6982653E-01 17 4.4573515E-01 -1.7324079E-05 6.8911667E-04 3.6453606E-01 18 2.0390409E-01 9.1909745E-07 7.7597830E-05 2.2970139E-01 19 8.6705035E-02 -2.3868146E-06 7.2604115E-05 6.9567730E-02 4f 1 1.4337109E+03 1.0490404E-04 2 4.8606544E+02 1.0411261E-03 3 2.0726353E+02 6.1982755E-03 4 9.9496776E+01 2.5492250E-02 5 5.0854312E+01 7.4460443E-02 6 2.6973264E+01 1.6533265E-01 7 1.4533542E+01 2.6684176E-01 8 7.7292504E+00 3.2320996E-01 9 3.9738344E+00 2.8760545E-01 10 1.9067697E+00 1.6299682E-01 11 8.0900327E-01 4.0745355E-02 12 3.1790680E-01 1.7231632E-03 ** Pt 195 ** Large component functions ------------------------- 1s 2s 3s 4s 5s 6s 1 6.2378099E+07 1.7605672E-04 -6.8061509E-05 3.2542829E-05 1.6201770E-05 6.9270144E-06 -2.0062175E-06 2 1.6610117E+07 4.1593677E-04 -1.6137742E-04 7.7206168E-05 3.8443036E-05 1.6436724E-05 -4.7604598E-06 3 5.6965785E+06 8.2619801E-04 -3.2182358E-04 1.5406420E-04 7.6725339E-05 3.2806022E-05 -9.5014738E-06 4 2.1756024E+06 1.4998630E-03 -5.8781254E-04 2.8167859E-04 1.4030925E-04 5.9996191E-05 -1.7376539E-05 5 9.0970019E+05 2.6870368E-03 -1.0605231E-03 5.0876484E-04 2.5350048E-04 1.0840450E-04 -3.1397455E-05 6 4.0237922E+05 4.7303567E-03 -1.8844035E-03 9.0536611E-04 4.5125577E-04 1.9298502E-04 -5.5894923E-05 7 1.8686049E+05 8.3507185E-03 -3.3619584E-03 1.6179145E-03 8.0678042E-04 3.4506816E-04 -9.9946383E-05 8 8.9836786E+04 1.4794953E-02 -6.0337002E-03 2.9098188E-03 1.4515919E-03 6.2092045E-04 -1.7984457E-04 9 4.4412747E+04 2.6362364E-02 -1.0919659E-02 5.2790447E-03 2.6354121E-03 1.1274996E-03 -3.2658846E-04 10 2.2441780E+04 4.6661217E-02 -1.9731974E-02 9.5732189E-03 4.7824195E-03 2.0463737E-03 -5.9274347E-04 11 1.1580965E+04 8.0379459E-02 -3.5023865E-02 1.7077541E-02 8.5437225E-03 3.6571103E-03 -1.0594093E-03 12 6.1019949E+03 1.3089559E-01 -5.9768561E-02 2.9390773E-02 1.4729689E-02 6.3076005E-03 -1.8272340E-03 13 3.2811068E+03 1.9276173E-01 -9.4918459E-02 4.7310783E-02 2.3800521E-02 1.0201319E-02 -2.9558868E-03 14 1.7987943E+03 2.3842101E-01 -1.3163252E-01 6.7092869E-02 3.3915045E-02 1.4553161E-02 -4.2171001E-03 15 1.0055354E+03 2.1998184E-01 -1.3729645E-01 7.1755453E-02 3.6555292E-02 1.5716219E-02 -4.5567237E-03 16 5.7394387E+02 1.2718365E-01 -5.3926467E-02 2.5123194E-02 1.2293469E-02 5.2304796E-03 -1.5116850E-03 17 3.3555893E+02 3.5831373E-02 1.4546370E-01 -1.1088615E-01 -6.1438621E-02 -2.6943948E-02 7.8317143E-03 18 2.0344160E+02 3.8136866E-03 3.4742215E-01 -3.0413374E-01 -1.7712686E-01 -7.8675582E-02 2.2940127E-02 19 1.2691635E+02 1.9317301E-04 3.7533988E-01 -4.0813788E-01 -2.4832603E-01 -1.1134636E-01 3.2480942E-02 20 7.9359993E+01 3.8383451E-05 2.2955600E-01 -2.4537508E-01 -1.6202820E-01 -7.5117390E-02 2.2086978E-02 21 4.7803711E+01 -9.1318618E-05 5.7357085E-02 2.9570127E-01 2.7260619E-01 1.3587305E-01 -4.0441745E-02 22 2.9780005E+01 2.8477232E-05 1.4361083E-03 6.4377645E-01 7.6622479E-01 4.0856328E-01 -1.2259242E-01 23 1.8271802E+01 -3.9567840E-05 1.6250438E-03 3.8388097E-01 5.0659004E-01 2.6537457E-01 -7.9532867E-02 24 1.1249627E+01 3.3669992E-05 -1.0168486E-03 8.1560762E-02 -2.7816742E-01 -1.9201338E-01 5.8889012E-02 25 6.9501429E+00 -1.8999294E-05 4.7427691E-04 8.5385626E-03 -7.3358548E-01 -6.3902866E-01 2.1158541E-01 26 4.2935494E+00 1.4357726E-05 -3.5624046E-04 4.1821446E-04 -4.6599888E-01 -6.0682377E-01 2.1670213E-01 27 2.5603157E+00 -7.9830131E-06 1.8689708E-04 3.5567024E-04 -9.7800107E-02 7.8980929E-02 -4.6637730E-02 28 1.5006061E+00 3.9937463E-06 -9.0699775E-05 -2.6633671E-04 -3.6170967E-03 6.7279418E-01 -3.1129578E-01 29 8.5208386E-01 -2.1465132E-06 4.9167516E-05 4.9884768E-05 -1.6636149E-03 5.5777743E-01 -3.4242633E-01 30 4.6593475E-01 9.0024374E-07 -2.0213181E-05 -4.9543269E-05 1.4416250E-04 1.5262394E-01 -1.2845664E-01 31 2.2835045E-01 -3.9810120E-07 8.9699077E-06 1.7133492E-05 -1.5132315E-04 9.6600329E-03 2.2467498E-01 32 1.1429192E-01 1.9861585E-07 -4.5241895E-06 -7.7388729E-06 8.0725745E-05 1.7312963E-03 5.0467696E-01 33 5.7390836E-02 -8.0506460E-08 1.7719171E-06 4.5651044E-06 -1.5394529E-05 9.0304829E-04 4.2225346E-01 34 2.8637438E-02 1.9912457E-08 -4.5816611E-07 -6.7295546E-07 9.5098522E-06 2.3732130E-04 9.5695317E-02 2p 3p 4p 5p 6p 1 5.6847512E+07 4.0291974E-06 -2.0636766E-06 1.0194846E-06 -4.0130091E-07 9.1846799E-08 2 1.6555699E+07 1.3953659E-05 -7.1471941E-06 3.5306294E-06 -1.3896513E-06 3.1805886E-07 3 5.2359572E+06 3.3062177E-05 -1.6939599E-05 8.3691494E-06 -3.2944596E-06 7.5401134E-07 4 1.7839641E+06 7.1751661E-05 -3.6779687E-05 1.8171479E-05 -7.1523084E-06 1.6370165E-06 5 6.4482116E+05 1.5060067E-04 -7.7269184E-05 3.8189549E-05 -1.5034961E-05 3.4410828E-06 6 2.4514211E+05 3.1568001E-04 -1.6222590E-04 8.0192146E-05 -3.1565184E-05 7.2248668E-06 7 9.7475601E+04 6.7807718E-04 -3.4944256E-04 1.7290182E-04 -6.8093400E-05 1.5584771E-05 8 4.0432196E+04 1.5284718E-03 -7.9104361E-04 3.9163676E-04 -1.5419015E-04 3.5294831E-05 9 1.7491403E+04 3.6543518E-03 -1.9029033E-03 9.4393810E-04 -3.7200127E-04 8.5144498E-05 10 7.8991940E+03 9.1366727E-03 -4.7965222E-03 2.3824182E-03 -9.3853595E-04 2.1486174E-04 11 3.7228512E+03 2.3039046E-02 -1.2241482E-02 6.1020001E-03 -2.4075713E-03 5.5111227E-04 12 1.8261078E+03 5.5805080E-02 -3.0222559E-02 1.5122290E-02 -5.9664056E-03 1.3662274E-03 13 9.2840132E+02 1.2232538E-01 -6.8288495E-02 3.4453737E-02 -1.3631872E-02 3.1214160E-03 14 4.8658729E+02 2.2502655E-01 -1.3094742E-01 6.6692142E-02 -2.6410172E-02 6.0510322E-03 15 2.6166269E+02 3.1350725E-01 -1.8977119E-01 9.7917771E-02 -3.8961555E-02 8.9256977E-03 16 1.4358357E+02 2.7979460E-01 -1.3812632E-01 6.4928396E-02 -2.5088715E-02 5.7363879E-03 17 7.9905847E+01 1.2792349E-01 1.2366088E-01 -1.0360296E-01 4.4829537E-02 -1.0406192E-02 18 4.5234049E+01 2.1088873E-02 4.3836942E-01 -3.5238190E-01 1.5521089E-01 -3.5997974E-02 19 2.6101909E+01 1.3322891E-03 4.1023192E-01 -3.2389837E-01 1.3757397E-01 -3.1834666E-02 20 1.5033503E+01 -2.6683549E-04 1.5074967E-01 1.4749017E-01 -1.0056274E-01 2.4603801E-02 21 8.4691343E+00 6.6023493E-05 1.8278614E-02 5.5604333E-01 -3.4779116E-01 8.4418291E-02 22 4.7845135E+00 -1.1661487E-04 1.0967381E-03 4.2262214E-01 -2.9893373E-01 7.4313798E-02 23 2.6400203E+00 5.9492110E-05 5.1861888E-05 1.0343661E-01 1.6038161E-01 -5.2735130E-02 24 1.4379999E+00 -3.2054603E-05 -2.6926246E-05 6.0366393E-03 5.1697425E-01 -1.5665959E-01 25 7.6620194E-01 2.0049505E-05 -3.0765634E-05 1.1067773E-03 4.1456241E-01 -1.4661047E-01 26 3.9734304E-01 -8.6786812E-06 3.9955333E-07 -1.4516841E-04 1.3807950E-01 -7.1553564E-03 27 1.8131035E-01 4.2487950E-06 -4.0928345E-06 8.8544423E-05 1.5465764E-02 2.4187364E-01 28 8.4697942E-02 -2.2053969E-06 1.7767481E-06 -5.1489042E-05 5.4484656E-04 4.4455854E-01 29 3.9577815E-02 1.0075978E-06 -7.0765564E-07 1.9535223E-05 4.6168836E-04 3.7481303E-01 30 1.8381289E-02 -2.9175164E-07 2.4290748E-07 -6.4403554E-06 -3.6597744E-05 8.5976824E-02 3d 4d 5d 1 6.8782903E+04 1.3410282E-05 -6.8734049E-06 1.9959377E-06 2 1.6486230E+04 8.5148706E-05 -4.3652529E-05 1.2687155E-05 3 5.4733773E+03 4.6919906E-04 -2.4150934E-04 7.0171999E-05 4 2.1736928E+03 2.2722346E-03 -1.1717080E-03 3.4087794E-04 5 9.7062154E+02 9.4194962E-03 -4.8931677E-03 1.4241027E-03 6 4.7004055E+02 3.2334409E-02 -1.6920807E-02 4.9348592E-03 7 2.4073543E+02 9.0013023E-02 -4.7928891E-02 1.4009836E-02 8 1.2856850E+02 1.9520114E-01 -1.0506077E-01 3.0788223E-02 9 7.0502724E+01 3.0996480E-01 -1.6377259E-01 4.7807520E-02 10 3.9458468E+01 3.2661564E-01 -1.4272150E-01 3.9764767E-02 11 2.2233244E+01 1.9129167E-01 6.4221392E-02 -3.0821617E-02 12 1.2415785E+01 5.1687648E-02 3.3984155E-01 -1.2232486E-01 13 6.8533848E+00 4.9244833E-03 4.2864868E-01 -1.5361279E-01 14 3.7296816E+00 5.7267863E-04 2.4951179E-01 -3.2479548E-02 15 1.9597861E+00 8.9382515E-06 5.8295486E-02 2.1160489E-01 16 9.9159256E-01 2.1798485E-05 4.0270275E-03 3.7560308E-01 17 4.8067665E-01 -1.8767714E-05 7.0583142E-04 3.6162038E-01 18 2.2109331E-01 5.2716307E-07 1.0125083E-04 2.2176172E-01 19 9.4413319E-02 -2.5115499E-06 7.2253415E-05 6.4718401E-02 4f 1 1.5152867E+03 9.8256573E-05 2 5.1293440E+02 9.9495199E-04 3 2.1862924E+02 5.9931411E-03 4 1.0494393E+02 2.4920730E-02 5 5.3685680E+01 7.3451582E-02 6 2.8511821E+01 1.6430431E-01 7 1.5399494E+01 2.6687806E-01 8 8.2234678E+00 3.2415062E-01 9 4.2572104E+00 2.8685419E-01 10 2.0640420E+00 1.5940923E-01 11 8.8882536E-01 3.8826137E-02 12 3.5215489E-01 1.7312004E-03 Pseudo-large component functions -------------------------------- 1s 2s 3s 4s 5s 6s 1 6.2378099E+07 4.3019856E-06 -1.6588452E-06 7.9282296E-07 3.9467913E-07 1.6874018E-07 -4.8870841E-08 2 1.6610117E+07 2.8242409E-05 -1.0891373E-05 5.2055600E-06 2.5913479E-06 1.1078922E-06 -3.2086771E-07 3 5.6965785E+06 9.1190292E-05 -3.5186238E-05 1.6818542E-05 8.3728197E-06 3.5797266E-06 -1.0367704E-06 4 2.1756024E+06 2.6592498E-04 -1.0267583E-04 4.9084582E-05 2.4435325E-05 1.0447041E-05 -3.0256661E-06 5 9.0970019E+05 6.7607240E-04 -2.6134043E-04 1.2495401E-04 6.2211966E-05 2.6598790E-05 -7.7036744E-06 6 4.0237922E+05 1.6469441E-03 -6.3772112E-04 3.0501828E-04 1.5185916E-04 6.4927108E-05 -1.8804136E-05 7 1.8686049E+05 3.7572497E-03 -1.4591915E-03 6.9823280E-04 3.4771255E-04 1.4867285E-04 -4.3059976E-05 8 8.9836786E+04 8.3124957E-03 -3.2440172E-03 1.5537498E-03 7.7380190E-04 3.3086183E-04 -9.5824541E-05 9 4.4412747E+04 1.7638099E-02 -6.9427266E-03 3.3299928E-03 1.6593159E-03 7.0958494E-04 -2.0552265E-04 10 2.2441780E+04 3.5964621E-02 -1.4367515E-02 6.9104238E-03 3.4449536E-03 1.4733406E-03 -4.2672399E-04 11 1.1580965E+04 6.8901636E-02 -2.8253702E-02 1.3651600E-02 6.8151610E-03 2.9157188E-03 -8.4457253E-04 12 6.1019949E+03 1.2150816E-01 -5.2110641E-02 2.5392192E-02 1.2697963E-02 5.4347391E-03 -1.5742364E-03 13 3.2811068E+03 1.8923832E-01 -8.7538155E-02 4.3253974E-02 2.1715604E-02 9.3032021E-03 -2.6954481E-03 14 1.7987943E+03 2.4342114E-01 -1.2655183E-01 6.4014285E-02 3.2301281E-02 1.3854847E-02 -4.0144618E-03 15 1.0055354E+03 2.3024931E-01 -1.3633647E-01 7.0932164E-02 3.6100888E-02 1.5517330E-02 -4.4988896E-03 16 5.7394387E+02 1.3527262E-01 -5.7036443E-02 2.7303406E-02 1.3485414E-02 5.7517109E-03 -1.6632272E-03 17 3.3555893E+02 3.8336937E-02 1.4166121E-01 -1.0660350E-01 -5.8892437E-02 -2.5809612E-02 7.5010085E-03 18 2.0344160E+02 4.2100955E-03 3.4694186E-01 -3.0052391E-01 -1.7465492E-01 -7.7539897E-02 2.2607291E-02 19 1.2691635E+02 6.8494884E-05 3.7783907E-01 -4.0724049E-01 -2.4743633E-01 -1.1091474E-01 3.2353546E-02 20 7.9359993E+01 1.7535180E-04 2.3184430E-01 -2.4705852E-01 -1.6317462E-01 -7.5638624E-02 2.2239291E-02 21 4.7803711E+01 -2.3066513E-04 5.8091956E-02 2.9395463E-01 2.7017510E-01 1.3455726E-01 -4.0045545E-02 22 2.9780005E+01 1.6725459E-04 1.4022641E-03 6.4470070E-01 7.6557280E-01 4.0806465E-01 -1.2243648E-01 23 1.8271802E+01 -1.7128774E-04 1.6855244E-03 3.8473530E-01 5.0715139E-01 2.6571255E-01 -7.9636447E-02 24 1.1249627E+01 1.5740781E-04 -1.0673233E-03 8.1890636E-02 -2.7763815E-01 -1.9152360E-01 5.8730020E-02 25 6.9501429E+00 -1.2878310E-04 5.1497803E-04 8.4781233E-03 -7.3380151E-01 -6.3882339E-01 2.1149636E-01 26 4.2935494E+00 1.0194244E-04 -3.8748144E-04 4.8182844E-04 -4.6624223E-01 -6.0690235E-01 2.1672553E-01 27 2.5603157E+00 -7.1634450E-05 2.0883466E-04 3.1073952E-04 -9.7888496E-02 7.8875409E-02 -4.6582568E-02 28 1.5006061E+00 4.8439395E-05 -1.0553529E-04 -2.3515617E-04 -3.6028286E-03 6.7281798E-01 -3.1127869E-01 29 8.5208386E-01 -3.1243307E-05 5.8699204E-05 2.9315918E-05 -1.6750714E-03 5.5782167E-01 -3.4242704E-01 30 4.6593475E-01 1.8570422E-05 -2.5893386E-05 -3.7057531E-05 1.5080035E-04 1.5264108E-01 -1.2846264E-01 31 2.2835045E-01 -1.1599287E-05 1.2518495E-05 9.1881864E-06 -1.5553060E-04 9.6593172E-03 2.2467270E-01 32 1.1429192E-01 8.3604779E-06 -7.0827804E-06 -1.9354786E-06 8.3767946E-05 1.7323881E-03 5.0467729E-01 33 5.7390836E-02 -5.1777321E-06 3.3578591E-06 9.3348383E-07 -1.7285909E-05 9.0238828E-04 4.2225548E-01 34 2.8637438E-02 1.9632550E-06 -1.0594835E-06 7.1378022E-07 1.0228562E-05 2.3757509E-04 9.5695856E-02 2p 3p 4p 5p 6p 1 5.6847512E+07 2.4066480E-08 -1.2339569E-08 6.1021338E-09 -2.4045450E-09 5.5022474E-10 2 1.6555699E+07 1.6328140E-07 -8.3747744E-08 4.1354974E-08 -1.6263807E-08 3.7231231E-09 3 5.2359572E+06 7.4278905E-07 -3.8143898E-07 1.8868140E-07 -7.4348333E-08 1.7013421E-08 4 1.7839641E+06 2.9837517E-06 -1.5339343E-06 7.5784959E-07 -2.9806746E-07 6.8235314E-08 5 6.4482116E+05 1.1415466E-05 -5.8802702E-06 2.9107783E-06 -1.1471420E-06 2.6251052E-07 6 2.4514211E+05 4.2613467E-05 -2.1990213E-05 1.0874460E-05 -4.2781401E-06 9.7938517E-07 7 9.7475601E+04 1.5631584E-04 -8.0868701E-05 4.0066187E-05 -1.5791422E-05 3.6138915E-06 8 4.0432196E+04 5.5915195E-04 -2.9000432E-04 1.4359652E-04 -5.6516259E-05 1.2938138E-05 9 1.7491403E+04 1.9201088E-03 -9.9972272E-04 4.9599258E-04 -1.9552168E-04 4.4748737E-05 10 7.8991940E+03 6.1961185E-03 -3.2444357E-03 1.6102578E-03 -6.3414628E-04 1.4517964E-04 11 3.7228512E+03 1.8416489E-02 -9.7439196E-03 4.8525897E-03 -1.9144005E-03 4.3819957E-04 12 1.8261078E+03 4.9282573E-02 -2.6553317E-02 1.3269684E-02 -5.2337526E-03 1.1984345E-03 13 9.2840132E+02 1.1451442E-01 -6.3605748E-02 3.2055336E-02 -1.2680286E-02 2.9034070E-03 14 4.8658729E+02 2.1772007E-01 -1.2615056E-01 6.4185978E-02 -2.5411753E-02 5.8221502E-03 15 2.6166269E+02 3.0885621E-01 -1.8648342E-01 9.6185710E-02 -3.8270330E-02 8.7672430E-03 16 1.4358357E+02 2.7765792E-01 -1.3748138E-01 6.4799619E-02 -2.5058345E-02 5.7300410E-03 17 7.9905847E+01 1.2597540E-01 1.2273194E-01 -1.0250285E-01 4.4327939E-02 -1.0289221E-02 18 4.5234049E+01 1.8763720E-02 4.3809097E-01 -3.5145519E-01 1.5474866E-01 -3.5889213E-02 19 2.6101909E+01 -8.3728077E-04 4.1095915E-01 -3.2421200E-01 1.3772822E-01 -3.1871227E-02 20 1.5033503E+01 -2.2280647E-03 1.5112883E-01 1.4683998E-01 -1.0017397E-01 2.4510034E-02 21 8.4691343E+00 -1.6635517E-03 1.8409902E-02 5.5572036E-01 -3.4751532E-01 8.4348998E-02 22 4.7845135E+00 -1.6329064E-03 1.1371617E-03 4.2254734E-01 -2.9889168E-01 7.4305007E-02 23 2.6400203E+00 -1.2871386E-03 1.1821546E-04 1.0325124E-01 1.6037495E-01 -5.2724863E-02 24 1.4379999E+00 -1.2555146E-03 8.1974944E-06 5.8443511E-03 5.1700727E-01 -1.5665992E-01 25 7.6620194E-01 -9.7874576E-04 1.5773314E-05 9.3431436E-04 4.1461173E-01 -1.4661838E-01 26 3.9734304E-01 -1.0800763E-03 3.5690305E-05 -3.1936432E-04 1.3811609E-01 -7.1671172E-03 27 1.8131035E-01 -8.1677430E-04 3.1026154E-05 -5.1058446E-05 1.5490695E-02 2.4186374E-01 28 8.4697942E-02 -9.2171257E-04 3.3921989E-05 -2.0237464E-04 5.7022813E-04 4.4454913E-01 29 3.9577815E-02 -1.9152143E-04 8.6968525E-06 -1.4099007E-05 4.6767178E-04 3.7481167E-01 30 1.8381289E-02 -1.1275428E-03 4.2329747E-05 -1.9345266E-04 -4.8159179E-06 8.5965702E-02 3d 4d 5d 1 6.8782903E+04 2.7504003E-06 -1.4138429E-06 4.1030835E-07 2 1.6486230E+04 3.8413838E-05 -1.9683162E-05 5.7231280E-06 3 5.4733773E+03 3.1612728E-04 -1.6270572E-04 4.7264251E-05 4 2.1736928E+03 1.8657951E-03 -9.6113112E-04 2.7959204E-04 5 9.7062154E+02 8.5212167E-03 -4.4221012E-03 1.2867316E-03 6 4.7004055E+02 3.0713907E-02 -1.6055661E-02 4.6817895E-03 7 2.4073543E+02 8.7688911E-02 -4.6647218E-02 1.3632882E-02 8 1.2856850E+02 1.9270665E-01 -1.0365068E-01 3.0372099E-02 9 7.0502724E+01 3.0809793E-01 -1.6274064E-01 4.7504494E-02 10 3.9458468E+01 3.2579967E-01 -1.4247435E-01 3.9709953E-02 11 2.2233244E+01 1.9096473E-01 6.3887431E-02 -3.0680177E-02 12 1.2415785E+01 5.1395031E-02 3.3951221E-01 -1.2218689E-01 13 6.8533848E+00 4.6841993E-03 4.2852701E-01 -1.5355689E-01 14 3.7296816E+00 4.0978332E-04 2.4948713E-01 -3.2506999E-02 15 1.9597861E+00 -9.9562121E-05 5.8253381E-02 2.1156426E-01 16 9.9159256E-01 -4.5294464E-05 3.9947199E-03 3.7557885E-01 17 4.8067665E-01 -6.3114361E-05 6.8198502E-04 3.6160936E-01 18 2.2109331E-01 -2.1659052E-05 9.0367152E-05 2.2175713E-01 19 9.4413319E-02 -2.3443584E-05 6.1157565E-05 6.4713761E-02 4f 1 1.5152867E+03 8.1508227E-05 2 5.1293440E+02 9.2676064E-04 3 2.1862924E+02 5.8018194E-03 4 1.0494393E+02 2.4542283E-02 5 5.3685680E+01 7.2905550E-02 6 2.8511821E+01 1.6371779E-01 7 1.5399494E+01 2.6642564E-01 8 8.2234678E+00 3.2388838E-01 9 4.2572104E+00 2.8674401E-01 10 2.0640420E+00 1.5936865E-01 11 8.8882536E-01 3.8810263E-02 12 3.5215489E-01 1.7240483E-03 Foldy-Wouthuysen functions -------------------------- 1s 2s 3s 4s 5s 6s 1 6.2378099E+07 4.5729883E-04 -1.7960806E-04 8.6023360E-05 4.2858246E-05 1.8323767E-05 -5.3075099E-06 2 1.6610117E+07 1.0053838E-03 -3.9547605E-04 1.8944909E-04 9.4387078E-05 4.0353971E-05 -1.1688431E-05 3 5.6965785E+06 1.8201658E-03 -7.1713260E-04 3.4362454E-04 1.7122480E-04 7.3209995E-05 -2.1205657E-05 4 2.1756024E+06 3.0433095E-03 -1.2029942E-03 5.7671150E-04 2.8735910E-04 1.2286030E-04 -3.5585677E-05 5 9.0970019E+05 4.9673466E-03 -1.9716301E-03 9.4589136E-04 4.7146792E-04 2.0160794E-04 -5.8397831E-05 6 4.0237922E+05 7.9636566E-03 -3.1809364E-03 1.5277572E-03 7.6144510E-04 3.2558669E-04 -9.4301635E-05 7 1.8686049E+05 1.2781090E-02 -5.1470711E-03 2.4760207E-03 1.2348359E-03 5.2814933E-04 -1.5298591E-04 8 8.9836786E+04 2.0666170E-02 -8.4162819E-03 4.0573306E-03 2.0235490E-03 8.6544487E-04 -2.5066360E-04 9 4.4412747E+04 3.3908843E-02 -1.4016238E-02 6.7760015E-03 3.3829465E-03 1.4474512E-03 -4.1930340E-04 10 2.2441780E+04 5.6006931E-02 -2.3639396E-02 1.1471864E-02 5.7297424E-03 2.4515213E-03 -7.1008097E-04 11 1.1580965E+04 9.1368608E-02 -3.9781985E-02 1.9411212E-02 9.7122696E-03 4.1575940E-03 -1.2044351E-03 12 6.1019949E+03 1.4276334E-01 -6.5265037E-02 3.2126968E-02 1.6100671E-02 6.8941976E-03 -1.9970159E-03 13 3.2811068E+03 2.0368033E-01 -1.0071521E-01 5.0284510E-02 2.5308118E-02 1.0848856E-02 -3.1435954E-03 14 1.7987943E+03 2.4548079E-01 -1.3663166E-01 6.9810544E-02 3.5304999E-02 1.5150967E-02 -4.3902569E-03 15 1.0055354E+03 2.2121977E-01 -1.3976615E-01 7.3317721E-02 3.7392395E-02 1.6084150E-02 -4.6640340E-03 16 5.7394387E+02 1.2469850E-01 -5.2578977E-02 2.4610989E-02 1.2054157E-02 5.1288202E-03 -1.4818637E-03 17 3.3555893E+02 3.3719608E-02 1.4951878E-01 -1.1349275E-01 -6.2833179E-02 -2.7550314E-02 8.0076013E-03 18 2.0344160E+02 3.0877906E-03 3.5079485E-01 -3.0736356E-01 -1.7910444E-01 -7.9565580E-02 2.3200546E-02 19 1.2691635E+02 -1.7281399E-05 3.7601713E-01 -4.0985816E-01 -2.4948727E-01 -1.1187513E-01 3.2635113E-02 20 7.9359993E+01 -3.2201894E-05 2.2882069E-01 -2.4474163E-01 -1.6188980E-01 -7.5099285E-02 2.2084639E-02 21 4.7803711E+01 -1.2042018E-04 5.6739648E-02 2.9778200E-01 2.7428846E-01 1.3669942E-01 -4.0687528E-02 22 2.9780005E+01 1.7753355E-05 1.2691371E-03 6.4465144E-01 7.6760229E-01 4.0933945E-01 -1.2282656E-01 23 1.8271802E+01 -4.7260084E-05 1.5907495E-03 3.8352043E-01 5.0623934E-01 2.6519364E-01 -7.9479573E-02 24 1.1249627E+01 3.0153532E-05 -1.0274674E-03 8.1353282E-02 -2.7882044E-01 -1.9237537E-01 5.8996532E-02 25 6.9501429E+00 -2.2657323E-05 4.6745048E-04 8.4899135E-03 -7.3385215E-01 -6.3932357E-01 2.1168910E-01 26 4.2935494E+00 1.3217729E-05 -3.5885099E-04 4.1093742E-04 -4.6590275E-01 -6.0681701E-01 2.1670653E-01 27 2.5603157E+00 -8.8392094E-06 1.8494001E-04 3.5094663E-04 -9.7747918E-02 7.9109147E-02 -4.6686813E-02 28 1.5006061E+00 3.7363428E-06 -9.1111261E-05 -2.6668968E-04 -3.6023265E-03 6.7285712E-01 -3.1132430E-01 29 8.5208386E-01 -2.4126234E-06 4.8719527E-05 4.8858386E-05 -1.6636650E-03 5.5776753E-01 -3.4242812E-01 30 4.6593475E-01 8.0950559E-07 -2.0287579E-05 -4.9909474E-05 1.4545490E-04 1.5261369E-01 -1.2845077E-01 31 2.2835045E-01 -4.5946270E-07 8.8623613E-06 1.6999475E-05 -1.5137627E-04 9.6583883E-03 2.2467961E-01 32 1.1429192E-01 1.7875959E-07 -4.5697296E-06 -7.7589659E-06 8.0983870E-05 1.7307387E-03 5.0467890E-01 33 5.7390836E-02 -9.4053773E-08 1.7416746E-06 4.5246319E-06 -1.5451081E-05 9.0299414E-04 4.2225293E-01 34 2.8637438E-02 1.3160124E-08 -4.6881654E-07 -6.7843761E-07 9.5852200E-06 2.3733744E-04 9.5694938E-02 2p 3p 4p 5p 6p 1 5.6847512E+07 3.1350125E-06 -1.5893900E-06 7.8501720E-07 -3.0924458E-07 7.0746339E-08 2 1.6555699E+07 1.2438310E-05 -6.3128018E-06 3.1116053E-06 -1.2231399E-06 2.8003435E-07 3 5.2359572E+06 3.0738246E-05 -1.5643529E-05 7.7295000E-06 -3.0447933E-06 6.9661989E-07 4 1.7839641E+06 6.9953851E-05 -3.5606930E-05 1.7561269E-05 -6.9040706E-06 1.5806927E-06 5 6.4482116E+05 1.5448592E-04 -7.8939577E-05 3.9034189E-05 -1.5378722E-05 3.5186354E-06 6 2.4514211E+05 3.3897413E-04 -1.7352095E-04 8.5685585E-05 -3.3698177E-05 7.7152208E-06 7 9.7475601E+04 7.5224225E-04 -3.8709695E-04 1.9166324E-04 -7.5528514E-05 1.7282362E-05 8 4.0432196E+04 1.7126668E-03 -8.8495755E-04 4.3792159E-04 -1.7232473E-04 3.9453536E-05 9 1.7491403E+04 4.0516904E-03 -2.1086074E-03 1.0464218E-03 -4.1253382E-04 9.4408446E-05 10 7.8991940E+03 9.9086055E-03 -5.1974679E-03 2.5810225E-03 -1.0165460E-03 2.3274491E-04 11 3.7228512E+03 2.4431782E-02 -1.2978093E-02 6.4703026E-03 -2.5532528E-03 5.8442339E-04 12 1.8261078E+03 5.8094618E-02 -3.1464065E-02 1.5744163E-02 -6.2113926E-03 1.4223889E-03 13 9.2840132E+02 1.2555567E-01 -7.0138177E-02 3.5396063E-02 -1.4005992E-02 3.2070127E-03 14 4.8658729E+02 2.2851346E-01 -1.3312428E-01 6.7824643E-02 -2.6860011E-02 6.1542802E-03 15 2.6166269E+02 3.1583811E-01 -1.9148792E-01 9.8858651E-02 -3.9341975E-02 9.0128567E-03 16 1.4358357E+02 2.8012374E-01 -1.3828908E-01 6.5008904E-02 -2.5118538E-02 5.7434231E-03 17 7.9905847E+01 1.2742413E-01 1.2485937E-01 -1.0439216E-01 4.5157306E-02 -1.0482052E-02 18 4.5234049E+01 2.0862705E-02 4.3946133E-01 -3.5333826E-01 1.5564813E-01 -3.6099658E-02 19 2.6101909E+01 1.2998211E-03 4.1027892E-01 -3.2399362E-01 1.3761212E-01 -3.1843659E-02 20 1.5033503E+01 -2.7331066E-04 1.5057542E-01 1.4793253E-01 -1.0078668E-01 2.4656907E-02 21 8.4691343E+00 6.5042508E-05 1.8224722E-02 5.5628362E-01 -3.4795494E-01 8.4458738E-02 22 4.7845135E+00 -1.1725255E-04 1.0919767E-03 4.2260005E-01 -2.9894165E-01 7.4316887E-02 23 2.6400203E+00 5.9382293E-05 4.9070469E-05 1.0339942E-01 1.6045531E-01 -5.2755887E-02 24 1.4379999E+00 -3.2214646E-05 -2.6098963E-05 6.0309152E-03 5.1700583E-01 -1.5666919E-01 25 7.6620194E-01 2.0038187E-05 -3.1446796E-05 1.1062764E-03 4.1456074E-01 -1.4661185E-01 26 3.9734304E-01 -8.6830802E-06 6.0452498E-07 -1.4536898E-04 1.3807503E-01 -7.1528213E-03 27 1.8131035E-01 4.2475334E-06 -4.2065449E-06 8.8537639E-05 1.5465181E-02 2.4187590E-01 28 8.4697942E-02 -2.2077380E-06 1.8325407E-06 -5.1509778E-05 5.4459301E-04 4.4455975E-01 29 3.9577815E-02 1.0079900E-06 -7.3591382E-07 1.9550031E-05 4.6172602E-04 3.7481295E-01 30 1.8381289E-02 -2.9202915E-07 2.5133317E-07 -6.4514072E-06 -3.6604185E-05 8.5976671E-02 3d 4d 5d 1 6.8782903E+04 1.5141099E-05 -7.7485685E-06 2.2469349E-06 2 1.6486230E+04 9.4175488E-05 -4.8261799E-05 1.4035434E-05 3 5.4733773E+03 5.0186935E-04 -2.5813569E-04 7.4969066E-05 4 2.1736928E+03 2.3714518E-03 -1.2225557E-03 3.5571210E-04 5 9.7062154E+02 9.6801265E-03 -5.0276523E-03 1.4631045E-03 6 4.7004055E+02 3.2894683E-02 -1.7214084E-02 5.0205797E-03 7 2.4073543E+02 9.0954398E-02 -4.8437670E-02 1.4158771E-02 8 1.2856850E+02 1.9636817E-01 -1.0571001E-01 3.0979883E-02 9 7.0502724E+01 3.1090383E-01 -1.6430243E-01 4.7964457E-02 10 3.9458468E+01 3.2697983E-01 -1.4287660E-01 3.9807507E-02 11 2.2233244E+01 1.9124853E-01 6.4474896E-02 -3.0913969E-02 12 1.2415785E+01 5.1634724E-02 3.4009937E-01 -1.2241475E-01 13 6.8533848E+00 4.9129439E-03 4.2874363E-01 -1.5365328E-01 14 3.7296816E+00 5.7255830E-04 2.4949957E-01 -3.2461446E-02 15 1.9597861E+00 8.3799165E-06 5.8285544E-02 2.1163399E-01 16 9.9159256E-01 2.1990292E-05 4.0252271E-03 3.7561722E-01 17 4.8067665E-01 -1.8868130E-05 7.0593905E-04 3.6162377E-01 18 2.2109331E-01 5.6236060E-07 1.0115868E-04 2.2176172E-01 19 9.4413319E-02 -2.5217135E-06 7.2273983E-05 6.4718122E-02 4f 1 1.5152867E+03 1.0207917E-04 2 5.1293440E+02 1.0137774E-03 3 2.1862924E+02 6.0542859E-03 4 1.0494393E+02 2.5064843E-02 5 5.3685680E+01 7.3680506E-02 6 2.8511821E+01 1.6457898E-01 7 1.5399494E+01 2.6709167E-01 8 8.2234678E+00 3.2426659E-01 9 4.2572104E+00 2.8689092E-01 10 2.0640420E+00 1.5941181E-01 11 8.8882536E-01 3.8824771E-02 12 3.5215489E-01 1.7310866E-03 ** Au 197 ** Large component functions ------------------------- 1s 2s 3s 4s 5s 6s 1 6.2091032E+07 1.8839095E-04 -7.3172897E-05 3.5045699E-05 -1.7505263E-05 7.5633030E-06 -2.1931982E-06 2 1.6531020E+07 4.4439137E-04 -1.7324209E-04 8.3022973E-05 -4.1475709E-05 1.7920592E-05 -5.1966278E-06 3 5.6666227E+06 8.8113542E-04 -3.4489089E-04 1.6539006E-04 -8.2637215E-05 3.5706721E-05 -1.0354318E-05 4 2.1625688E+06 1.5957858E-03 -6.2853293E-04 3.0171381E-04 -1.5078699E-04 6.5157586E-05 -1.8894772E-05 5 9.0428832E+05 2.8461473E-03 -1.1290932E-03 5.4261877E-04 -2.7126242E-04 1.1722436E-04 -3.3993670E-05 6 4.0047108E+05 4.9849351E-03 -1.9964704E-03 9.6093024E-04 -4.8054905E-04 2.0768612E-04 -6.0227692E-05 7 1.8613020E+05 8.7806107E-03 -3.5547178E-03 1.7138549E-03 -8.5745604E-04 3.7061281E-04 -1.0747646E-04 8 8.9401027E+04 1.5547247E-02 -6.3782893E-03 3.0818191E-03 -1.5425933E-03 6.6683812E-04 -1.9338678E-04 9 4.4116867E+04 2.7645917E-02 -1.1523817E-02 5.5823131E-03 -2.7961114E-03 1.2088725E-03 -3.5058390E-04 10 2.2257868E+04 4.8762231E-02 -2.0764862E-02 1.0095215E-02 -5.0606087E-03 2.1884261E-03 -6.3469727E-04 11 1.1466692E+04 8.3782891E-02 -3.6788423E-02 1.7979363E-02 -9.0253625E-03 3.9040388E-03 -1.1322991E-03 12 6.0232727E+03 1.3613406E-01 -6.2739664E-02 3.0929842E-02 -1.5557205E-02 6.7332570E-03 -1.9530980E-03 13 3.2250230E+03 1.9886895E-01 -9.9038587E-02 4.9522040E-02 -2.5001605E-02 1.0829361E-02 -3.1415455E-03 14 1.7623507E+03 2.4043479E-01 -1.3455723E-01 6.8828710E-02 -3.4933127E-02 1.5153541E-02 -4.3973240E-03 15 9.8638894E+02 2.1233425E-01 -1.3254508E-01 6.9399628E-02 -3.5462293E-02 1.5401884E-02 -4.4696970E-03 16 5.6980004E+02 1.1505090E-01 -4.1512211E-02 1.7712459E-02 -8.4432050E-03 3.6149172E-03 -1.0477345E-03 17 3.4743912E+02 3.1996065E-02 1.3324752E-01 -1.0158782E-01 5.6526328E-02 -2.5095926E-02 7.3134139E-03 18 2.1859443E+02 5.3645068E-03 3.1654354E-01 -2.7416050E-01 1.5955694E-01 -7.1506843E-02 2.0858109E-02 19 1.3725327E+02 -1.9975082E-04 3.8826392E-01 -4.1254958E-01 2.5119421E-01 -1.1394474E-01 3.3322084E-02 20 8.4862064E+01 3.3686829E-04 2.4686485E-01 -2.7764154E-01 1.8188582E-01 -8.4541539E-02 2.4807153E-02 21 5.2068308E+01 -2.9232699E-04 6.3812406E-02 2.3120036E-01 -2.0827747E-01 1.0345075E-01 -3.0699259E-02 22 3.2962045E+01 1.6878142E-04 5.1042980E-03 6.1017806E-01 -7.0832407E-01 3.8147581E-01 -1.1485624E-01 23 2.0564227E+01 -1.2899486E-04 6.7935990E-04 4.4582973E-01 -5.9577406E-01 3.1823770E-01 -9.5395379E-02 24 1.2354184E+01 8.6295955E-05 -2.6793584E-04 1.1798794E-01 1.6464740E-01 -1.2215573E-01 3.7021853E-02 25 7.5641217E+00 -5.2806465E-05 -2.7440623E-05 5.9234775E-03 7.6613100E-01 -6.5425839E-01 2.1652992E-01 26 4.5739925E+00 3.5103858E-05 -6.0208890E-05 3.0664989E-03 5.0512861E-01 -6.6942432E-01 2.3992378E-01 27 2.7396490E+00 -1.9312911E-05 2.2089366E-05 -9.2460304E-04 1.0221687E-01 9.6801247E-02 -5.5408983E-02 28 1.5458697E+00 9.5292724E-06 -2.3848223E-06 3.5323835E-04 6.5410271E-03 7.1787993E-01 -3.4025828E-01 29 8.5989884E-01 -5.1654901E-06 6.3502244E-06 -2.6444624E-04 4.8327247E-04 5.4173130E-01 -3.3795795E-01 30 4.5826151E-01 2.5938163E-06 -1.6382765E-06 1.0627964E-04 3.1188593E-04 1.2355539E-01 -1.0401106E-01 31 2.4308744E-01 -1.3114804E-06 1.0090937E-06 -5.7518756E-05 -6.6488646E-05 5.5648353E-03 2.2619246E-01 32 1.2152573E-01 5.9491038E-07 -5.3766591E-07 2.6936672E-05 2.2720629E-05 2.6348178E-03 4.9498270E-01 33 6.0893308E-02 -2.3550731E-07 1.1013614E-07 -9.3635476E-06 -2.7228723E-05 6.1327275E-04 4.2709308E-01 34 3.0185296E-02 5.6095106E-08 -5.9706237E-08 2.6690159E-06 3.6202098E-07 3.0495967E-04 1.0120680E-01 2p 3p 4p 5p 6p 1 5.7553485E+07 4.1503581E-06 -2.1308549E-06 1.0571583E-06 -4.2171268E-07 9.5172479E-08 2 1.6912486E+07 1.4448514E-05 -7.4184711E-06 3.6802537E-06 -1.4679664E-06 3.3129839E-07 3 5.3778068E+06 3.4193851E-05 -1.7561675E-05 8.7134728E-06 -3.4760128E-06 7.8446920E-07 4 1.8396873E+06 7.4023655E-05 -3.8035988E-05 1.8872331E-05 -7.5277686E-06 1.6989281E-06 5 6.6701259E+05 1.5492159E-04 -7.9678850E-05 3.9548472E-05 -1.5778879E-05 3.5609817E-06 6 2.5415158E+05 3.2363235E-04 -1.6671657E-04 8.2764191E-05 -3.3014443E-05 7.4512344E-06 7 1.0122199E+05 6.9195767E-04 -3.5746630E-04 1.7762734E-04 -7.0893664E-05 1.5999397E-05 8 4.2034735E+04 1.5501787E-03 -8.0425042E-04 3.9988394E-04 -1.5954866E-04 3.6012423E-05 9 1.8196646E+04 3.6808687E-03 -1.9215172E-03 9.5726578E-04 -3.8232599E-04 8.6287392E-05 10 8.2174487E+03 9.1483993E-03 -4.8149307E-03 2.4019138E-03 -9.5891557E-04 2.1646942E-04 11 3.8703916E+03 2.2971605E-02 -1.2236910E-02 6.1261237E-03 -2.4496554E-03 5.5292875E-04 12 1.8971509E+03 5.5471735E-02 -3.0115155E-02 1.5133822E-02 -6.0511618E-03 1.3663505E-03 13 9.6423721E+02 1.2137664E-01 -6.7905888E-02 3.4407660E-02 -1.3797543E-02 3.1153402E-03 14 5.0542065E+02 2.2336401E-01 -1.3020502E-01 6.6594314E-02 -2.6725766E-02 6.0382657E-03 15 2.7186129E+02 3.1230420E-01 -1.8933013E-01 9.8098607E-02 -3.9563923E-02 8.9375385E-03 16 1.4924477E+02 2.8084546E-01 -1.3989726E-01 6.6256268E-02 -2.5957914E-02 5.8529572E-03 17 8.3140463E+01 1.3014347E-01 1.1864687E-01 -1.0087559E-01 4.4324967E-02 -1.0154349E-02 18 4.7131483E+01 2.2053457E-02 4.3423676E-01 -3.5070437E-01 1.5678115E-01 -3.5873894E-02 19 2.7229115E+01 1.3763368E-03 4.1376586E-01 -3.2940947E-01 1.4212287E-01 -3.2452313E-02 20 1.5675902E+01 -2.4512324E-04 1.5498347E-01 1.4049687E-01 -9.8723323E-02 2.3910162E-02 21 8.8298688E+00 5.1020583E-05 1.8805212E-02 5.5885284E-01 -3.5671121E-01 8.5608382E-02 22 4.9910401E+00 -1.0796334E-04 1.1813769E-03 4.2555454E-01 -3.0652157E-01 7.5297405E-02 23 2.7579796E+00 5.4875097E-05 -1.2181191E-05 1.0300388E-01 1.7204952E-01 -5.6270414E-02 24 1.5021522E+00 -2.8558914E-05 -2.7207533E-06 6.0772566E-03 5.2526526E-01 -1.5775614E-01 25 8.0099970E-01 1.8478152E-05 -5.0012876E-05 1.0560333E-03 4.0758878E-01 -1.4142087E-01 26 4.1615897E-01 -7.7098937E-06 7.7757471E-06 -1.0561876E-04 1.3243535E-01 -1.1671874E-03 27 1.8857106E-01 3.7652149E-06 -7.7939051E-06 7.4582912E-05 1.4557486E-02 2.4264430E-01 28 8.7555118E-02 -1.9366354E-06 3.6951945E-06 -4.3001465E-05 3.7664366E-04 4.4253829E-01 29 4.0633898E-02 8.8291870E-07 -1.5815371E-06 1.5666053E-05 4.6430071E-04 3.7469094E-01 30 1.8755275E-02 -2.5717359E-07 4.9762920E-07 -5.3418126E-06 -4.3804842E-05 8.5997034E-02 3d 4d 5d 1 7.3085195E+04 1.3205542E-05 -6.8170883E-06 2.0411615E-06 2 1.7483465E+04 8.3027258E-05 -4.2875018E-05 1.2849922E-05 3 5.7912193E+03 4.5374430E-04 -2.3523266E-04 7.0475772E-05 4 2.2955079E+03 2.1879196E-03 -1.1364418E-03 3.4093796E-04 5 1.0234377E+03 9.0687353E-03 -4.7445212E-03 1.4238704E-03 6 4.9506436E+02 3.1229842E-02 -1.6459133E-02 4.9501717E-03 7 2.5336705E+02 8.7413331E-02 -4.6861278E-02 1.4125305E-02 8 1.3525691E+02 1.9119819E-01 -1.0367560E-01 3.1337087E-02 9 7.4166438E+01 3.0703494E-01 -1.6366294E-01 4.9282472E-02 10 4.1510011E+01 3.2867450E-01 -1.4673220E-01 4.2298736E-02 11 2.3402974E+01 1.9652816E-01 5.6326281E-02 -2.9398192E-02 12 1.3090124E+01 5.4625412E-02 3.3499538E-01 -1.2515146E-01 13 7.2436307E+00 5.3716643E-03 4.3130408E-01 -1.6061030E-01 14 3.9591472E+00 5.8386734E-04 2.5387796E-01 -3.6074786E-02 15 2.0937190E+00 6.9838696E-06 6.0145616E-02 2.1607683E-01 16 1.0655856E+00 2.1871574E-05 4.2585251E-03 3.7986307E-01 17 5.1928944E-01 -1.8102341E-05 6.5011507E-04 3.5974722E-01 18 2.3993836E-01 1.2145807E-06 7.6657880E-05 2.1649506E-01 19 1.0271158E-01 -2.2923764E-06 5.9233850E-05 6.1582769E-02 4f 1 1.5984529E+03 9.5701257E-05 2 5.4023670E+02 9.7017719E-04 3 2.3015033E+02 5.8634478E-03 4 1.1044826E+02 2.4539884E-02 5 5.6535919E+01 7.2793691E-02 6 3.0055120E+01 1.6376273E-01 7 1.6265242E+01 2.6730060E-01 8 8.7169377E+00 3.2519634E-01 9 4.5407487E+00 2.8597136E-01 10 2.2220809E+00 1.5593745E-01 11 9.6965516E-01 3.7105529E-02 12 3.8700265E-01 1.7361000E-03 Pseudo-large component functions -------------------------------- 1s 2s 3s 4s 5s 6s 1 6.2091032E+07 4.5676937E-06 -1.7695283E-06 8.4714319E-07 -4.2310498E-07 1.8280138E-07 -5.3008262E-08 2 1.6531020E+07 2.9953350E-05 -1.1605333E-05 5.5560741E-06 -2.7749566E-06 1.1989196E-06 -3.4766068E-07 3 5.6666227E+06 9.6641192E-05 -3.7464347E-05 1.7937659E-05 -8.9592327E-06 3.8708322E-06 -1.1224537E-06 4 2.1625688E+06 2.8146692E-04 -1.0919163E-04 5.2286933E-05 -2.6115640E-05 1.1283429E-05 -3.2719624E-06 5 9.0428832E+05 7.1294480E-04 -2.7689878E-04 1.3261846E-04 -6.6243950E-05 2.8621104E-05 -8.2994800E-06 6 4.0047108E+05 1.7290489E-03 -6.7274602E-04 3.2231247E-04 -1.6100295E-04 6.9564713E-05 -2.0172491E-05 7 1.8613020E+05 3.9388372E-03 -1.5371123E-03 7.3679538E-04 -3.6811405E-04 1.5905305E-04 -4.6122072E-05 8 8.9401027E+04 8.7218714E-03 -3.4209210E-03 1.6412939E-03 -8.2014090E-04 3.5439060E-04 -1.0276856E-04 9 4.4116867E+04 1.8496478E-02 -7.3182285E-03 3.5164961E-03 -1.7579773E-03 7.5968593E-04 -2.2029774E-04 10 2.2257868E+04 3.7627079E-02 -1.5117002E-02 7.2843398E-03 -3.6437398E-03 1.5749098E-03 -4.5672454E-04 11 1.1466692E+04 7.1964726E-02 -2.9694139E-02 1.4377610E-02 -7.2013876E-03 3.1133767E-03 -9.0289779E-04 12 6.0232727E+03 1.2671871E-01 -5.4769345E-02 2.6749354E-02 -1.3424527E-02 5.8071415E-03 -1.6843153E-03 13 3.2250230E+03 1.9586475E-01 -9.1500722E-02 4.5349038E-02 -2.2847233E-02 9.8912135E-03 -2.8691465E-03 14 1.7623507E+03 2.4630122E-01 -1.2964427E-01 6.5810257E-02 -3.3341762E-02 1.4457143E-02 -4.1949499E-03 15 9.8638894E+02 2.2291229E-01 -1.3201362E-01 6.8845041E-02 -3.5149379E-02 1.5262979E-02 -4.4292415E-03 16 5.6980004E+02 1.2272232E-01 -4.4773486E-02 2.0068148E-02 -9.7433546E-03 4.1903045E-03 -1.2152530E-03 17 3.4743912E+02 3.4253240E-02 1.2972871E-01 -9.7591998E-02 5.4140910E-02 -2.4021255E-02 6.9995925E-03 18 2.1859443E+02 5.9363033E-03 3.1569434E-01 -2.7043468E-01 1.5703402E-01 -7.0338302E-02 2.0515333E-02 19 1.3725327E+02 -3.8996813E-04 3.9077982E-01 -4.1136606E-01 2.5009699E-01 -1.1341060E-01 3.3164215E-02 20 8.4862064E+01 5.2879765E-04 2.4931171E-01 -2.7919159E-01 1.8288823E-01 -8.4995920E-02 2.4939888E-02 21 5.2068308E+01 -4.8239298E-04 6.4695487E-02 2.2926305E-01 -2.0584048E-01 1.0214092E-01 -3.0305199E-02 22 3.2962045E+01 3.4655445E-04 5.0724547E-03 6.1083733E-01 -7.0734231E-01 3.8078179E-01 -1.1464014E-01 23 2.0564227E+01 -2.7678168E-04 7.6115479E-04 4.4684623E-01 -5.9628475E-01 3.1852312E-01 -9.5482373E-02 24 1.2354184E+01 2.0952182E-04 -3.3371518E-04 1.1840730E-01 1.6400021E-01 -1.2160132E-01 3.6843651E-02 25 7.5641217E+00 -1.5744259E-04 2.7060394E-05 5.8785502E-03 7.6631036E-01 -6.5399804E-01 2.1642057E-01 26 4.5739925E+00 1.1745565E-04 -1.0348181E-04 3.1203705E-03 5.0541323E-01 -6.6950247E-01 2.3994460E-01 27 2.7396490E+00 -7.8043167E-05 5.3077195E-05 -9.6045068E-04 1.0230504E-01 9.6683409E-02 -5.5345943E-02 28 1.5458697E+00 4.9199355E-05 -2.3320479E-05 3.7669583E-04 6.5340881E-03 7.1790844E-01 -3.4023955E-01 29 8.5989884E-01 -3.2980909E-05 2.1111338E-05 -2.8079658E-04 4.9100894E-04 5.4177975E-01 -3.3796088E-01 30 4.5826151E-01 2.2284635E-05 -1.2110140E-05 1.1769441E-04 3.0658390E-04 1.2357008E-01 -1.0401674E-01 31 2.4308744E-01 -1.5157518E-05 8.3911313E-06 -6.5493975E-05 -6.2686791E-05 5.5638256E-03 2.2619043E-01 32 1.2152573E-01 9.7960073E-06 -5.4523231E-06 3.2206357E-05 2.0179741E-05 2.6358690E-03 4.9498289E-01 33 6.0893308E-02 -5.7766535E-06 3.0740947E-06 -1.2524521E-05 -2.5690157E-05 6.1268827E-04 4.2709520E-01 34 3.0185296E-02 2.1342987E-06 -1.1724435E-06 3.8511703E-06 -2.1735085E-07 3.0517662E-04 1.0120738E-01 2p 3p 4p 5p 6p 1 5.7553485E+07 2.4907551E-08 -1.2801804E-08 6.3576659E-09 -2.5389809E-09 5.7287500E-10 2 1.6912486E+07 1.6878616E-07 -8.6780010E-08 4.3035688E-08 -1.7151087E-08 3.8715498E-09 3 5.3778068E+06 7.6410107E-07 -3.9333721E-07 1.9539429E-07 -7.8029364E-08 1.7606529E-08 4 1.8396873E+06 3.0493760E-06 -1.5714787E-06 7.7972789E-07 -3.1077421E-07 7.0153269E-08 5 6.6701259E+05 1.1587797E-05 -5.9837538E-06 2.9746351E-06 -1.1880872E-06 2.6808561E-07 6 2.5415158E+05 4.2969535E-05 -2.2229069E-05 1.1039856E-05 -4.4013250E-06 9.9355239E-07 7 1.0122199E+05 1.5664573E-04 -8.1245500E-05 4.0425658E-05 -1.6147658E-05 3.6438493E-06 8 4.2034735E+04 5.5725183E-04 -2.8976287E-04 1.4409694E-04 -5.7472783E-05 1.2973871E-05 9 1.8196646E+04 1.9059717E-03 -9.9495532E-04 4.9575909E-04 -1.9806209E-04 4.4697802E-05 10 8.2174487E+03 6.1383802E-03 -3.2225313E-03 1.6063163E-03 -6.4107542E-04 1.4472212E-04 11 3.8703916E+03 1.8236133E-02 -9.6729012E-03 4.8380142E-03 -1.9343718E-03 4.3659680E-04 12 1.8971509E+03 4.8784850E-02 -2.6346683E-02 1.3223080E-02 -5.2853509E-03 1.1934049E-03 13 9.6423721E+02 1.1335755E-01 -6.3092123E-02 3.1931832E-02 -1.2801978E-02 2.8904274E-03 14 5.0542065E+02 2.1583657E-01 -1.2526029E-01 6.4000317E-02 -2.5678399E-02 5.8014955E-03 15 2.7186129E+02 3.0748063E-01 -1.8591669E-01 9.6292251E-02 -3.8833193E-02 8.7723511E-03 16 1.4924477E+02 2.7863083E-01 -1.3920298E-01 6.6104323E-02 -2.5918541E-02 5.8447108E-03 17 8.3140463E+01 1.2815677E-01 1.1769023E-01 -9.9739712E-02 4.3799423E-02 -1.0033412E-02 18 4.7131483E+01 1.9672611E-02 4.3392500E-01 -3.4972616E-01 1.5628645E-01 -3.5759018E-02 19 2.7229115E+01 -8.5930151E-04 4.1451052E-01 -3.2971852E-01 1.4227678E-01 -3.2488334E-02 20 1.5675902E+01 -2.2708912E-03 1.5538332E-01 1.3981513E-01 -9.8309602E-02 2.3811587E-02 21 8.8298688E+00 -1.7317837E-03 1.8939876E-02 5.5851376E-01 -3.5641459E-01 8.5534625E-02 22 4.9910401E+00 -1.6699604E-03 1.2222139E-03 4.2548046E-01 -3.0648035E-01 7.5289215E-02 23 2.7579796E+00 -1.3315897E-03 5.4337681E-05 1.0281247E-01 1.7204029E-01 -5.6258671E-02 24 1.5021522E+00 -1.2934536E-03 3.2837542E-05 5.8770375E-03 5.2530138E-01 -1.5775677E-01 25 8.0099970E-01 -1.0071244E-03 -3.4448710E-06 8.7783041E-04 4.0764010E-01 -1.4142921E-01 26 4.1615897E-01 -1.1160608E-03 4.3520159E-05 -2.8713210E-04 1.3247319E-01 -1.1793677E-03 27 1.8857106E-01 -8.5806432E-04 2.7976908E-05 -7.2753705E-05 1.4583504E-02 2.4263403E-01 28 8.7555118E-02 -9.4270005E-04 3.5863802E-05 -1.9847995E-04 4.0263631E-04 4.4252869E-01 29 4.0633898E-02 -2.1816893E-04 8.5763619E-06 -2.2617201E-05 4.7100727E-04 3.7468934E-01 30 1.8755275E-02 -1.1493781E-03 4.2368555E-05 -1.9726119E-04 -1.1422671E-05 8.5985744E-02 3d 4d 5d 1 7.3085195E+04 2.6159660E-06 -1.3542826E-06 4.0522791E-07 2 1.7483465E+04 3.6488442E-05 -1.8834638E-05 5.6474806E-06 3 5.7912193E+03 3.0083830E-04 -1.5594970E-04 4.6711330E-05 4 2.2955079E+03 1.7805878E-03 -9.2391585E-04 2.7715526E-04 5 1.0234377E+03 8.1642494E-03 -4.2668996E-03 1.2802473E-03 6 4.9506436E+02 2.9587569E-02 -1.5576504E-02 4.6839171E-03 7 2.5336705E+02 8.5037678E-02 -4.5542796E-02 1.3725402E-02 8 1.3525691E+02 1.8861916E-01 -1.0220720E-01 3.0890049E-02 9 7.4166438E+01 3.0507716E-01 -1.6256975E-01 4.8951195E-02 10 4.1510011E+01 3.2780329E-01 -1.4645079E-01 4.2232190E-02 11 2.3402974E+01 1.9618692E-01 5.5985135E-02 -2.9247433E-02 12 1.3090124E+01 5.4323137E-02 3.3464587E-01 -1.2499965E-01 13 7.2436307E+00 5.1217505E-03 4.3117307E-01 -1.6054738E-01 14 3.9591472E+00 4.1340187E-04 2.5385364E-01 -3.6105324E-02 15 2.0937190E+00 -1.0661962E-04 6.0101615E-02 2.1603236E-01 16 1.0655856E+00 -4.9077262E-05 4.2244265E-03 3.7983686E-01 17 5.1928944E-01 -6.5108157E-05 6.2452488E-04 3.5973540E-01 18 2.3993836E-01 -2.2446072E-05 6.5050021E-05 2.1649006E-01 19 1.0271158E-01 -2.4752681E-05 4.7213620E-05 6.1577628E-02 4f 1 1.5984529E+03 7.8723647E-05 2 5.4023670E+02 9.0053063E-04 3 2.3015033E+02 5.6668323E-03 4 1.1044826E+02 2.4147308E-02 5 5.6535919E+01 7.2222617E-02 6 3.0055120E+01 1.6314445E-01 7 1.6265242E+01 2.6682076E-01 8 8.7169377E+00 3.2491777E-01 9 4.5407487E+00 2.8585566E-01 10 2.2220809E+00 1.5589471E-01 11 9.6965516E-01 3.7088328E-02 12 3.8700265E-01 1.7281138E-03 Foldy-Wouthuysen functions -------------------------- 1s 2s 3s 4s 5s 6s 1 6.2091032E+07 4.8842405E-04 -1.9274243E-04 9.2467707E-05 -4.6219991E-05 1.9969687E-05 -5.7913553E-06 2 1.6531020E+07 1.0717996E-03 -4.2361133E-04 2.0326867E-04 -1.0160648E-04 4.3899678E-05 -1.2731209E-05 3 5.6666227E+06 1.9366358E-03 -7.6668620E-04 3.6798064E-04 -1.8396056E-04 7.9485293E-05 -2.3051405E-05 4 2.1625688E+06 3.2305556E-03 -1.2832505E-03 6.1623756E-04 -3.0807379E-04 1.3311059E-04 -3.8602817E-05 5 9.0428832E+05 5.2531611E-03 -2.0955160E-03 1.0070137E-03 -5.0356657E-04 2.1760327E-04 -6.3106550E-05 6 4.0047108E+05 8.3862129E-03 -3.3671830E-03 1.6200754E-03 -8.1016849E-04 3.5009163E-04 -1.0152822E-04 7 1.8613020E+05 1.3434945E-02 -5.4398221E-03 2.6214420E-03 -1.3116161E-03 5.6691401E-04 -1.6441593E-04 8 8.9401027E+04 2.1714552E-02 -8.8949549E-03 4.2962563E-03 -2.1500156E-03 9.2934359E-04 -2.6952876E-04 9 4.4116867E+04 3.5556641E-02 -1.4789366E-02 7.1636133E-03 -3.5880114E-03 1.5511515E-03 -4.4985438E-04 10 2.2257868E+04 5.8516347E-02 -2.4871205E-02 1.2095596E-02 -6.0616128E-03 2.6208227E-03 -7.6007252E-04 11 1.1466692E+04 9.5205976E-02 -4.1773841E-02 2.0431466E-02 -1.0258894E-02 4.4378860E-03 -1.2871102E-03 12 6.0232727E+03 1.4841741E-01 -6.8490483E-02 3.3809102E-02 -1.7009898E-02 7.3624956E-03 -2.1355929E-03 13 3.2250230E+03 2.0999752E-01 -1.0503310E-01 5.2603305E-02 -2.6569978E-02 1.1510862E-02 -3.3393566E-03 14 1.7623507E+03 2.4728723E-01 -1.3954600E-01 7.1549327E-02 -3.6330929E-02 1.5762319E-02 -4.5741272E-03 15 9.8638894E+02 2.1316721E-01 -1.3468296E-01 7.0777055E-02 -3.6200671E-02 1.5728320E-02 -4.5647606E-03 16 5.6980004E+02 1.1243094E-01 -3.9921280E-02 1.7041527E-02 -8.1125930E-03 3.4717863E-03 -1.0060687E-03 17 3.4743912E+02 2.9902202E-02 1.3696142E-01 -1.0394675E-01 5.7789119E-02 -2.5652073E-02 7.4755099E-03 18 2.1859443E+02 4.6724415E-03 3.1992018E-01 -2.7728684E-01 1.6145179E-01 -7.2364059E-02 2.1108477E-02 19 1.3725327E+02 -4.3280580E-04 3.8944605E-01 -4.1473112E-01 2.5264080E-01 -1.1461377E-01 3.3518657E-02 20 8.4862064E+01 2.8516511E-04 2.4604685E-01 -2.7713787E-01 1.8183918E-01 -8.4558728E-02 2.4813842E-02 21 5.2068308E+01 -3.3677687E-04 6.3128827E-02 2.3329407E-01 -2.0987720E-01 1.0422575E-01 -3.0928297E-02 22 3.2962045E+01 1.6106184E-04 4.9023291E-03 6.1126498E-01 -7.0988283E-01 3.8235871E-01 -1.1512405E-01 23 2.0564227E+01 -1.4477958E-04 6.4890658E-04 4.4556203E-01 -5.9562508E-01 3.1816515E-01 -9.5373633E-02 24 1.2354184E+01 8.4394948E-05 -2.8445597E-04 1.1772678E-01 1.6535101E-01 -1.2253386E-01 3.7132217E-02 25 7.5641217E+00 -5.8190492E-05 -3.0865816E-05 5.8465431E-03 7.6650529E-01 -6.5462971E-01 2.1665909E-01 26 4.5739925E+00 3.5100419E-05 -6.5604862E-05 3.0657025E-03 5.0501413E-01 -6.6942700E-01 2.3993313E-01 27 2.7396490E+00 -2.0620314E-05 2.0110466E-05 -9.3123357E-04 1.0216102E-01 9.6952710E-02 -5.5467923E-02 28 1.5458697E+00 9.5736235E-06 -3.5874730E-06 3.5326289E-04 6.5278367E-03 7.1794096E-01 -3.4028697E-01 29 8.5989884E-01 -5.5556543E-06 6.2814536E-06 -2.6595156E-04 4.8174376E-04 5.4172068E-01 -3.3795877E-01 30 4.5826151E-01 2.5387070E-06 -1.8943821E-06 1.0653725E-04 3.1014300E-04 1.2354514E-01 -1.0400505E-01 31 2.4308744E-01 -1.4251998E-06 9.6319473E-07 -5.8021956E-05 -6.5956454E-05 5.5629726E-03 2.2619730E-01 32 1.2152573E-01 5.8822770E-07 -5.9496102E-07 2.6946028E-05 2.2364468E-05 2.6347270E-03 4.9498446E-01 33 6.0893308E-02 -2.5894541E-07 8.1150718E-08 -9.3969201E-06 -2.7217025E-05 6.1317303E-04 4.2709261E-01 34 3.0185296E-02 5.1081952E-08 -7.7746040E-08 2.6579242E-06 3.4590562E-07 3.0490527E-04 1.0120641E-01 2p 3p 4p 5p 6p 1 5.7553485E+07 3.2085638E-06 -1.6304302E-06 8.0871604E-07 -3.2287150E-07 7.2831548E-08 2 1.6912486E+07 1.2866330E-05 -6.5461628E-06 3.2404912E-06 -1.2908384E-06 2.9141787E-07 3 5.3778068E+06 3.1771317E-05 -1.6208258E-05 8.0425632E-06 -3.2107133E-06 7.2432361E-07 4 1.8396873E+06 7.2133233E-05 -3.6807852E-05 1.8231761E-05 -7.2635783E-06 1.6398408E-06 5 6.6701259E+05 1.5885730E-04 -8.1370853E-05 4.0407703E-05 -1.6133944E-05 3.6398934E-06 6 2.5415158E+05 3.4747871E-04 -1.7831972E-04 8.8435053E-05 -3.5245095E-05 7.9570038E-06 7 1.0122199E+05 7.6800741E-04 -3.9618520E-04 1.9700160E-04 -7.8676574E-05 1.7751430E-05 8 4.2034735E+04 1.7391846E-03 -9.0093120E-04 4.4775206E-04 -1.7855340E-04 4.0310294E-05 9 1.8196646E+04 4.0887250E-03 -2.1333065E-03 1.0632390E-03 -4.2480795E-04 9.5860995E-05 10 8.2174487E+03 9.9408119E-03 -5.2278904E-03 2.6074038E-03 -1.0407088E-03 2.3495961E-04 11 3.8703916E+03 2.4400033E-02 -1.2994727E-02 6.5066986E-03 -2.6022374E-03 5.8733008E-04 12 1.8971509E+03 5.7815943E-02 -3.1389884E-02 1.5775183E-02 -6.3072023E-03 1.4242317E-03 13 9.6423721E+02 1.2468323E-01 -6.9803221E-02 3.5378458E-02 -1.4188231E-02 3.2034795E-03 14 5.0542065E+02 2.2694690E-01 -1.3244385E-01 6.7763786E-02 -2.7196476E-02 6.1448106E-03 15 2.7186129E+02 3.1472598E-01 -1.9111065E-01 9.9077979E-02 -3.9965416E-02 9.0282455E-03 16 1.4924477E+02 2.8121253E-01 -1.4009014E-01 6.6353802E-02 -2.5994826E-02 5.8615212E-03 17 8.3140463E+01 1.2963148E-01 1.1987051E-01 -1.0168469E-01 4.4665437E-02 -1.0232093E-02 18 4.7131483E+01 2.1814577E-02 4.3537553E-01 -3.5170228E-01 1.5724414E-01 -3.5980118E-02 19 2.7229115E+01 1.3412563E-03 4.1382977E-01 -3.2952445E-01 1.4217045E-01 -3.2463383E-02 20 1.5675902E+01 -2.5181435E-04 1.5480095E-01 1.4095690E-01 -9.8959177E-02 2.3965381E-02 21 8.8298688E+00 4.9915917E-05 1.8747880E-02 5.5910916E-01 -3.5688969E-01 8.5651994E-02 22 4.9910401E+00 -1.0862174E-04 1.1761570E-03 4.2553109E-01 -3.0652938E-01 7.5300493E-02 23 2.7579796E+00 5.4733370E-05 -1.4993374E-05 1.0296468E-01 1.7213019E-01 -5.6293053E-02 24 1.5021522E+00 -2.8717870E-05 -1.9232676E-06 6.0713164E-03 5.2529769E-01 -1.5776588E-01 25 8.0099970E-01 1.8462320E-05 -5.0687369E-05 1.0554824E-03 4.0758650E-01 -1.4142206E-01 26 4.1615897E-01 -7.7122518E-06 7.9714144E-06 -1.0582970E-04 1.3243068E-01 -1.1644924E-03 27 1.8857106E-01 3.7628501E-06 -7.9033218E-06 7.4579715E-05 1.4556925E-02 2.4264659E-01 28 8.7555118E-02 -1.9383646E-06 3.7475228E-06 -4.3023708E-05 3.7636980E-04 4.4253952E-01 29 4.0633898E-02 8.8299982E-07 -1.6082653E-06 1.5682998E-05 4.6434303E-04 3.7469086E-01 30 1.8755275E-02 -2.5738753E-07 5.0580061E-07 -5.3543287E-06 -4.3811355E-05 8.5996878E-02 3d 4d 5d 1 7.3085195E+04 1.4910706E-05 -7.6842114E-06 2.2973442E-06 2 1.7483465E+04 9.2034268E-05 -4.7511870E-05 1.4249260E-05 3 5.7912193E+03 4.8646591E-04 -2.5199897E-04 7.5462040E-05 4 2.2955079E+03 2.2872800E-03 -1.1877575E-03 3.5637974E-04 5 1.0234377E+03 9.3299440E-03 -4.8802361E-03 1.4644474E-03 6 4.9506436E+02 3.1794583E-02 -1.6756848E-02 5.0399165E-03 7 2.5336705E+02 8.8369994E-02 -4.7381504E-02 1.4282327E-02 8 1.3525691E+02 1.9240004E-01 -1.0434906E-01 3.1542173E-02 9 7.4166438E+01 3.0801927E-01 -1.6422252E-01 4.9453419E-02 10 4.1510011E+01 3.2907098E-01 -1.4690868E-01 4.2349479E-02 11 2.3402974E+01 1.9648885E-01 5.6583734E-02 -2.9495658E-02 12 1.3090124E+01 5.4568799E-02 3.3526867E-01 -1.2525010E-01 13 7.2436307E+00 5.3587896E-03 4.3140797E-01 -1.6065625E-01 14 3.9591472E+00 5.8371670E-04 2.5386535E-01 -3.6054988E-02 15 2.0937190E+00 6.3618437E-06 6.0134751E-02 2.1610905E-01 16 1.0655856E+00 2.2085777E-05 4.2565244E-03 3.7987835E-01 17 5.1928944E-01 -1.8213879E-05 6.5022104E-04 3.5975073E-01 18 2.3993836E-01 1.2536842E-06 7.6558875E-05 2.1649499E-01 19 1.0271158E-01 -2.3036397E-06 5.9255562E-05 6.1582467E-02 4f 1 1.5984529E+03 9.9575993E-05 2 5.4023670E+02 9.8932140E-04 3 2.3015033E+02 5.9259622E-03 4 1.1044826E+02 2.4688704E-02 5 5.6535919E+01 7.3032503E-02 6 3.0055120E+01 1.6405184E-01 7 1.6265242E+01 2.6752770E-01 8 8.7169377E+00 3.2532027E-01 9 4.5407487E+00 2.8601008E-01 10 2.2220809E+00 1.5593968E-01 11 9.6965516E-01 3.7104009E-02 12 3.8700265E-01 1.7359770E-03 ** Hg 202 ** Large component functions ------------------------- 1s 2s 3s 4s 5s 6s 1 6.1267281E+07 2.0266710E-04 -7.9093278E-05 3.7943803E-05 -1.9015059E-05 8.3172280E-06 -2.4043412E-06 2 1.6310458E+07 4.7738827E-04 -1.8700813E-04 8.9769814E-05 -4.4993526E-05 1.9680997E-05 -5.6894174E-06 3 5.5888882E+06 9.4472374E-04 -3.7161208E-04 1.7850411E-04 -8.9483271E-05 3.9143128E-05 -1.1315621E-05 4 2.1322062E+06 1.7062476E-03 -6.7546460E-04 3.2480005E-04 -1.6285973E-04 7.1245102E-05 -2.0596045E-05 5 8.9157691E+05 3.0347859E-03 -1.2102944E-03 5.8265410E-04 -2.9224096E-04 1.2785305E-04 -3.6960947E-05 6 3.9470916E+05 5.3036577E-03 -2.1358260E-03 1.0298583E-03 -5.1672541E-04 2.2608534E-04 -6.5360382E-05 7 1.8340343E+05 9.3076145E-03 -3.7900720E-03 1.8306650E-03 -9.1895759E-04 4.0211438E-04 -1.1625051E-04 8 8.8169505E+04 1.6378098E-02 -6.7603982E-03 3.2727552E-03 -1.6436338E-03 7.1931782E-04 -2.0796136E-04 9 4.3607826E+04 2.8914707E-02 -1.2132231E-02 5.8884844E-03 -2.9594586E-03 1.2953566E-03 -3.7450166E-04 10 2.2055705E+04 5.0699684E-02 -2.1740745E-02 1.0592103E-02 -5.3276120E-03 2.3324618E-03 -6.7438512E-04 11 1.1378794E+04 8.6701948E-02 -3.8366677E-02 1.8791273E-02 -9.4656413E-03 4.1453440E-03 -1.1985660E-03 12 5.9792975E+03 1.3994018E-01 -6.5047698E-02 3.2149153E-02 -1.6226475E-02 7.1102439E-03 -2.0561226E-03 13 3.2039033E+03 2.0178436E-01 -1.0149527E-01 5.0884645E-02 -2.5783666E-02 1.1307454E-02 -3.2701145E-03 14 1.7558335E+03 2.3901121E-01 -1.3491441E-01 6.9222542E-02 -3.5256154E-02 1.5484560E-02 -4.4797940E-03 15 9.8777100E+02 2.0634233E-01 -1.2862349E-01 6.7343682E-02 -3.4530319E-02 1.5183095E-02 -4.3922918E-03 16 5.7291490E+02 1.1035627E-01 -3.2443898E-02 1.2080712E-02 -5.4116494E-03 2.3080072E-03 -6.6629038E-04 17 3.4598363E+02 3.0014445E-02 1.5065306E-01 -1.1621986E-01 6.5011859E-02 -2.9242875E-02 8.4999130E-03 18 2.1766112E+02 4.0080666E-03 3.2328790E-01 -2.8383491E-01 1.6668415E-01 -7.5753533E-02 2.2034666E-02 19 1.3815017E+02 9.9222937E-05 3.7416539E-01 -4.0477510E-01 2.4772726E-01 -1.1387648E-01 3.3222139E-02 20 8.6097605E+01 1.0157039E-04 2.3896214E-01 -2.5768339E-01 1.7042013E-01 -8.0495417E-02 2.3562269E-02 21 5.1764283E+01 -1.2183867E-04 6.0444059E-02 2.7610408E-01 -2.5709319E-01 1.3083668E-01 -3.8806947E-02 22 3.2705893E+01 4.9014196E-05 1.5431872E-03 6.1873332E-01 -7.3447210E-01 4.0302203E-01 -1.2127130E-01 23 2.0500673E+01 -5.2598937E-05 1.8967217E-03 4.0201600E-01 -5.4167297E-01 2.9107145E-01 -8.6895467E-02 24 1.2823154E+01 3.8691220E-05 -1.0674478E-03 1.0395169E-01 1.7886350E-01 -1.2684042E-01 3.7877598E-02 25 7.9445394E+00 -1.9390113E-05 4.4530088E-04 1.0701012E-02 7.4365508E-01 -6.5327737E-01 2.1731806E-01 26 4.8429888E+00 1.3623786E-05 -3.2460712E-04 1.1211387E-03 5.2893527E-01 -6.8973541E-01 2.4666102E-01 27 2.8256759E+00 -7.3477297E-06 1.6648758E-04 4.7501849E-05 1.0661531E-01 8.7156225E-02 -5.3488125E-02 28 1.6482318E+00 3.8236446E-06 -8.4420986E-05 -1.1747249E-04 3.5091650E-03 7.1219144E-01 -3.3854550E-01 29 9.3337927E-01 -2.2072237E-06 4.9619279E-05 -2.6960523E-05 1.6663842E-03 5.4444735E-01 -3.3663954E-01 30 5.1439267E-01 1.0414515E-06 -2.3040277E-05 -1.6442427E-05 -1.5079275E-04 1.3684527E-01 -1.1596540E-01 31 2.7275001E-01 -4.8510043E-07 1.0804502E-05 2.8098559E-06 1.5673029E-04 8.5358618E-03 2.0679005E-01 32 1.3613989E-01 2.0740556E-07 -4.6215700E-06 -1.3037165E-06 -5.4420067E-05 7.1844443E-04 4.9085613E-01 33 6.7007247E-02 -7.6707424E-08 1.6995379E-06 9.9220961E-07 1.7579062E-05 -2.7835511E-04 4.4715119E-01 34 3.2531065E-02 1.8492042E-08 -4.1369762E-07 -5.6632724E-08 -5.1539723E-06 -1.0155520E-05 1.0949947E-01 2p 3p 4p 5p 6p 1 5.7764817E+07 4.2955877E-06 -2.2106457E-06 1.1013372E-06 -4.4587784E-07 9.3782555E-08 2 1.7149744E+07 1.5008690E-05 -7.7243676E-06 3.8480405E-06 -1.5577200E-06 3.2764194E-07 3 5.4938711E+06 3.5414010E-05 -1.8231486E-05 9.0836997E-06 -3.6776686E-06 7.7353385E-07 4 1.8909622E+06 7.6368353E-05 -3.9334359E-05 1.9598264E-05 -7.9335588E-06 1.6687141E-06 5 6.8905422E+05 1.5915911E-04 -8.2053184E-05 4.0897756E-05 -1.6560371E-05 3.4832039E-06 6 2.6361307E+05 3.3093956E-04 -1.7088976E-04 8.5191512E-05 -3.4487628E-05 7.2541833E-06 7 1.0532244E+05 7.0355006E-04 -3.6431984E-04 1.8179330E-04 -7.3639173E-05 1.5489117E-05 8 4.3837690E+04 1.5652410E-03 -8.1402661E-04 4.0644465E-04 -1.6457333E-04 3.4618840E-05 9 1.9002845E+04 3.6883468E-03 -1.9300544E-03 9.6557827E-04 -3.9141510E-04 8.2334411E-05 10 8.5854638E+03 9.1041923E-03 -4.8035342E-03 2.4063498E-03 -9.7493693E-04 2.0510690E-04 11 4.0429294E+03 2.2746446E-02 -1.2145910E-02 6.1063634E-03 -2.4783774E-03 5.2139805E-04 12 1.9805871E+03 5.4795573E-02 -2.9815069E-02 1.5045879E-02 -6.1051935E-03 1.2847103E-03 13 1.0058710E+03 1.1992628E-01 -6.7217704E-02 3.4200831E-02 -1.3920872E-02 2.9296602E-03 14 5.2681901E+02 2.2135215E-01 -1.2922203E-01 6.6359404E-02 -2.7025490E-02 5.6901438E-03 15 2.8316741E+02 3.1124340E-01 -1.8893357E-01 9.8295344E-02 -4.0245956E-02 8.4747660E-03 16 1.5538887E+02 2.8265662E-01 -1.4238787E-01 6.8001957E-02 -2.7047665E-02 5.6812485E-03 17 8.6509262E+01 1.3305214E-01 1.1411717E-01 -9.8517317E-02 4.4003235E-02 -9.3906617E-03 18 4.8910607E+01 2.2929425E-02 4.3513894E-01 -3.5331654E-01 1.6061396E-01 -3.4275787E-02 19 2.8143988E+01 1.3691281E-03 4.1777034E-01 -3.3347985E-01 1.4591993E-01 -3.1023715E-02 20 1.6121991E+01 -2.3929997E-04 1.5455594E-01 1.4720600E-01 -1.0432231E-01 2.3475128E-02 21 9.0743138E+00 5.0877922E-05 1.7935083E-02 5.6482450E-01 -3.7013895E-01 8.3040116E-02 22 5.1421602E+00 -1.0895180E-04 1.2750095E-03 4.1869631E-01 -3.0610878E-01 6.9975298E-02 23 2.8542627E+00 5.7261516E-05 -1.1863299E-04 9.9001978E-02 1.9158843E-01 -5.7872257E-02 24 1.5539857E+00 -2.8885179E-05 3.9340481E-05 5.9983752E-03 5.3805813E-01 -1.4992759E-01 25 8.2679139E-01 1.8781486E-05 -7.5558594E-05 9.1103127E-04 3.9866298E-01 -1.2887138E-01 26 4.2727530E-01 -7.7929699E-06 1.9269032E-05 -7.7559190E-05 1.1904589E-01 -3.3205409E-04 27 1.9368537E-01 3.7976035E-06 -1.2339362E-05 5.1910182E-05 1.1903128E-02 2.3013076E-01 28 8.9521723E-02 -1.9606480E-06 6.2824377E-06 -3.6024092E-05 4.6863478E-04 4.3433665E-01 29 4.1486501E-02 8.9879401E-07 -2.7851368E-06 1.2468046E-05 3.0030405E-04 3.8453010E-01 30 1.9125199E-02 -2.6157972E-07 8.3480443E-07 -4.3059312E-06 -2.5145759E-05 9.6683328E-02 3d 4d 5d 1 7.7042701E+04 1.3143978E-05 -6.8333112E-06 2.1278555E-06 2 1.8395217E+04 8.1998972E-05 -4.2652938E-05 1.3290492E-05 3 6.0764814E+03 4.4572620E-04 -2.3271542E-04 7.2514703E-05 4 2.4017579E+03 2.1457235E-03 -1.1226762E-03 3.5018718E-04 5 1.0682154E+03 8.9045465E-03 -4.6917765E-03 1.4644638E-03 6 5.1573536E+02 3.0758930E-02 -1.6328813E-02 5.1064927E-03 7 2.6355653E+02 8.6440886E-02 -4.6666344E-02 1.4631638E-02 8 1.4054286E+02 1.8993421E-01 -1.0375545E-01 3.2613981E-02 9 7.7018490E+01 3.0636789E-01 -1.6457437E-01 5.1559432E-02 10 4.3100618E+01 3.2938633E-01 -1.4857743E-01 4.4498834E-02 11 2.4306623E+01 1.9809873E-01 5.4871810E-02 -3.0416055E-02 12 1.3606207E+01 5.5453590E-02 3.3550330E-01 -1.3122984E-01 13 7.5428878E+00 5.4762426E-03 4.3291607E-01 -1.6871079E-01 14 4.1359425E+00 5.6986614E-04 2.5256791E-01 -3.4656403E-02 15 2.1981943E+00 4.8738229E-06 5.9086071E-02 2.2952879E-01 16 1.1235290E+00 2.9390976E-05 3.9870207E-03 3.9238507E-01 17 5.4978744E-01 -1.5318642E-05 3.2500577E-04 3.5696053E-01 18 2.5518713E-01 6.2679300E-06 -2.5249040E-05 1.9820520E-01 19 1.0975038E-01 -1.7328062E-06 8.5776154E-06 4.6841387E-02 4f 1 1.7841137E+03 8.6867659E-05 2 6.0117765E+02 7.8881695E-04 3 2.5602262E+02 5.2340473E-03 4 1.2288125E+02 2.0924458E-02 5 6.3119951E+01 6.7248272E-02 6 3.3734474E+01 1.4488952E-01 7 1.8482452E+01 2.6181433E-01 8 1.0148368E+01 2.8631133E-01 9 5.5325072E+00 3.3111464E-01 10 2.3819196E+00 1.8972090E-01 11 1.0518378E+00 2.1734748E-02 12 4.2255517E-01 6.1488244E-03 Pseudo-large component functions -------------------------------- 1s 2s 3s 4s 5s 6s 1 6.1267281E+07 4.8972769E-06 -1.9061790E-06 9.1405799E-07 -4.5802360E-07 2.0033508E-07 -5.7912426E-08 2 1.6310458E+07 3.2078519E-05 -1.2487343E-05 5.9882104E-06 -3.0005818E-06 1.3124318E-06 -3.7939679E-07 3 5.5888882E+06 1.0338019E-04 -4.0267604E-05 1.9311429E-05 -9.6770666E-06 4.2326794E-06 -1.2235732E-06 4 2.1322062E+06 3.0049321E-04 -1.1712708E-04 5.6180402E-05 -2.8152183E-05 1.2313741E-05 -3.5596646E-06 5 8.9157691E+05 7.5946048E-04 -2.9639209E-04 1.4218774E-04 -7.1257749E-05 3.1168156E-05 -9.0100186E-06 6 3.9470916E+05 1.8394094E-03 -7.1915157E-04 3.4513065E-04 -1.7296569E-04 7.5657674E-05 -2.1871382E-05 7 1.8340343E+05 4.1777383E-03 -1.6385121E-03 7.8670532E-04 -3.9434995E-04 1.7249707E-04 -4.9865275E-05 8 8.8169505E+04 9.1981924E-03 -3.6260481E-03 1.7427813E-03 -8.7371087E-04 3.8220897E-04 -1.1049255E-04 9 4.3607826E+04 1.9368055E-02 -7.7044766E-03 3.7084951E-03 -1.8601524E-03 8.1379130E-04 -2.3525489E-04 10 2.2055705E+04 3.9177998E-02 -1.5828447E-02 7.6417711E-03 -3.8351803E-03 1.6781784E-03 -4.8516944E-04 11 1.1378794E+04 7.4604237E-02 -3.0978246E-02 1.5028259E-02 -7.5529759E-03 3.3058751E-03 -9.5574995E-04 12 5.9792975E+03 1.3055343E-01 -5.6824755E-02 2.7818026E-02 -1.4008304E-02 6.1348940E-03 -1.7739094E-03 13 3.2039033E+03 1.9922698E-01 -9.3863412E-02 4.6634342E-02 -2.3579913E-02 1.0335628E-02 -2.9887855E-03 14 1.7558335E+03 2.4546308E-01 -1.3015156E-01 6.6266133E-02 -3.3689670E-02 1.4790203E-02 -4.2786017E-03 15 9.8777100E+02 2.1713516E-01 -1.2834860E-01 6.6954463E-02 -3.4305431E-02 1.5081629E-02 -4.3628158E-03 16 5.7291490E+02 1.1801192E-01 -3.5960424E-02 1.4685282E-02 -6.8603526E-03 2.9578629E-03 -8.5495672E-04 17 3.4598363E+02 3.2193683E-02 1.4704943E-01 -1.1192279E-01 6.2415415E-02 -2.8055724E-02 8.1540689E-03 18 2.1766112E+02 4.5049209E-03 3.2276915E-01 -2.8022973E-01 1.6419902E-01 -7.4584121E-02 2.1692402E-02 19 1.3815017E+02 -9.0217747E-05 3.7674826E-01 -4.0370442E-01 2.4669222E-01 -1.1336286E-01 3.3070483E-02 20 8.6097605E+01 2.9024601E-04 2.4146737E-01 -2.5944900E-01 1.7162387E-01 -8.1056530E-02 2.3726239E-02 21 5.1764283E+01 -3.1375361E-04 6.1286276E-02 2.7417428E-01 -2.5447455E-01 1.2938931E-01 -3.8371267E-02 22 3.2705893E+01 2.4613533E-04 1.4874539E-03 6.1963901E-01 -7.3371152E-01 4.0243356E-01 -1.2108670E-01 23 2.0500673E+01 -2.3678690E-04 1.9845787E-03 4.0293068E-01 -5.4217903E-01 2.9137649E-01 -8.6989037E-02 24 1.2823154E+01 1.9961491E-04 -1.1369953E-03 1.0438313E-01 1.7819771E-01 -1.2627452E-01 3.7696001E-02 25 7.9445394E+00 -1.4876723E-04 4.9718214E-04 1.0644649E-02 7.4383299E-01 -6.5298266E-01 2.1719432E-01 26 4.8429888E+00 1.0939553E-04 -3.6195426E-04 1.1849828E-03 5.2923693E-01 -6.8982834E-01 2.4668718E-01 27 2.8256759E+00 -7.6922801E-05 1.9291296E-04 3.0466002E-06 1.0671895E-01 8.7028293E-02 -5.3419131E-02 28 1.6482318E+00 5.5265700E-05 -1.0348153E-04 -8.5030946E-05 3.4927886E-03 7.1222625E-01 -3.3852790E-01 29 9.3337927E-01 -3.8393212E-05 6.2843434E-05 -4.9869657E-05 1.6801355E-03 5.4449642E-01 -3.3664078E-01 30 5.1439267E-01 2.5606207E-05 -3.1892204E-05 -9.5056792E-07 -1.5966200E-04 1.3686418E-01 -1.1597243E-01 31 2.7275001E-01 -1.6313373E-05 1.6451100E-05 -7.1795167E-06 1.6242851E-04 8.5343087E-03 2.0678809E-01 32 1.3613989E-01 1.0128333E-05 -8.1311550E-06 4.9596554E-06 -5.7963682E-05 7.1997687E-04 4.9085602E-01 33 6.7007247E-02 -5.8295250E-06 3.7223198E-06 -2.6417545E-06 1.9625793E-05 -2.7921385E-04 4.4715358E-01 34 3.2531065E-02 2.1791158E-06 -1.1700243E-06 1.3089184E-06 -5.9206118E-06 -9.8359332E-06 1.0950009E-01 2p 3p 4p 5p 6p 1 5.7764817E+07 2.6015629E-08 -1.3402467E-08 6.6840383E-09 -2.7095630E-09 5.6985621E-10 2 1.7149744E+07 1.7571201E-07 -9.0561002E-08 4.5098108E-08 -1.8237567E-08 3.8363591E-09 3 5.4938711E+06 7.8938806E-07 -4.0730585E-07 2.0318549E-07 -8.2361720E-08 1.7322128E-08 4 1.8909622E+06 3.1224161E-06 -1.6130658E-06 8.0370643E-07 -3.2504603E-07 6.8376290E-08 5 6.8905422E+05 1.1756803E-05 -6.0854174E-06 3.0379490E-06 -1.2316413E-06 2.5904167E-07 6 2.6361307E+05 4.3211303E-05 -2.2409956E-05 1.1176347E-05 -4.5213846E-06 9.5113228E-07 7 1.0532244E+05 1.5623171E-04 -8.1229077E-05 4.0589005E-05 -1.6456793E-05 3.4613822E-06 8 4.3837690E+04 5.5204004E-04 -2.8778930E-04 1.4371891E-04 -5.8168419E-05 1.2236745E-05 9 1.9002845E+04 1.8790473E-03 -9.8336286E-04 4.9207006E-04 -1.9954206E-04 4.1972543E-05 10 8.5854638E+03 6.0357785E-03 -3.1767350E-03 1.5901792E-03 -6.4402453E-04 1.3548963E-04 11 4.0429294E+03 1.7914447E-02 -9.5247357E-03 4.7840951E-03 -1.9415402E-03 4.0844185E-04 12 1.9805871E+03 4.7957615E-02 -2.5956092E-02 1.3081312E-02 -5.3060809E-03 1.1165192E-03 13 1.0058710E+03 1.1169465E-01 -6.2272909E-02 3.1647480E-02 -1.2878782E-02 2.7102438E-03 14 5.2681901E+02 2.1357980E-01 -1.2411669E-01 6.3670759E-02 -2.5923699E-02 5.4580137E-03 15 2.8316741E+02 3.0622063E-01 -1.8537583E-01 9.6404151E-02 -3.9469276E-02 8.3111197E-03 16 1.5538887E+02 2.8035342E-01 -1.4163140E-01 6.7818578E-02 -2.6995511E-02 5.6709022E-03 17 8.6509262E+01 1.3101666E-01 1.1312871E-01 -9.7339919E-02 4.3449620E-02 -9.2719165E-03 18 4.8910607E+01 2.0470063E-02 4.3479840E-01 -3.5228323E-01 1.6008289E-01 -3.4160806E-02 19 2.8143988E+01 -9.5198778E-04 4.1854423E-01 -3.3380299E-01 1.4608425E-01 -3.1059587E-02 20 1.6121991E+01 -2.3344067E-03 1.5496581E-01 1.4649175E-01 -1.0387964E-01 2.3376768E-02 21 9.0743138E+00 -1.7766244E-03 1.8071551E-02 5.6448072E-01 -3.6982591E-01 8.2967281E-02 22 5.1421602E+00 -1.7038572E-03 1.3136401E-03 4.1862368E-01 -3.0607378E-01 6.9969512E-02 23 2.8542627E+00 -1.3631299E-03 -5.0647959E-05 9.8803308E-02 1.9157799E-01 -5.7860398E-02 24 1.5539857E+00 -1.3343190E-03 7.4107145E-05 5.7903463E-03 5.3809724E-01 -1.4992849E-01 25 8.2679139E-01 -1.0450626E-03 -2.7833787E-05 7.2503242E-04 3.9871764E-01 -1.2887977E-01 26 4.2727530E-01 -1.1492193E-03 5.4708185E-05 -2.6572619E-04 1.1908424E-01 -3.4371338E-04 27 1.9368537E-01 -8.8374256E-04 2.3904395E-05 -1.0080014E-04 1.1929980E-02 2.3012074E-01 28 8.9521723E-02 -9.7057728E-04 3.8323416E-05 -1.9715207E-04 4.9531809E-04 4.3432723E-01 29 4.1486501E-02 -2.2615842E-04 7.6571455E-06 -2.7461285E-05 3.0733966E-04 3.8452850E-01 30 1.9125199E-02 -1.1780723E-03 4.2586181E-05 -2.0228660E-04 8.0386986E-06 9.6672403E-02 3d 4d 5d 1 7.7042701E+04 2.5273728E-06 -1.3174825E-06 4.1013382E-07 2 1.8395217E+04 3.5219327E-05 -1.8314323E-05 5.7084796E-06 3 6.0764814E+03 2.9139775E-04 -1.5212651E-04 4.7394586E-05 4 2.4017579E+03 1.7328489E-03 -9.0572131E-04 2.8248144E-04 5 1.0682154E+03 7.9838332E-03 -4.2021733E-03 1.3113491E-03 6 5.1573536E+02 2.9079197E-02 -1.5419672E-02 4.8212853E-03 7 2.6355653E+02 8.3998771E-02 -4.5301677E-02 1.4201068E-02 8 1.4054286E+02 1.8726892E-01 -1.0222661E-01 3.2129840E-02 9 7.7018490E+01 3.0433544E-01 -1.6343045E-01 5.1198659E-02 10 4.3100618E+01 3.2847850E-01 -1.4827849E-01 4.4425488E-02 11 2.4306623E+01 1.9774557E-01 5.4516569E-02 -3.0251627E-02 12 1.3606207E+01 5.5141995E-02 3.3513709E-01 -1.3106272E-01 13 7.5428878E+00 5.2180292E-03 4.3277999E-01 -1.6864240E-01 14 4.1359425E+00 3.9342804E-04 2.5254404E-01 -3.4692092E-02 15 2.1981943E+00 -1.1289608E-04 5.9040108E-02 2.2947971E-01 16 1.1235290E+00 -4.4639850E-05 3.9512337E-03 3.9235685E-01 17 5.4978744E-01 -6.4503060E-05 2.9806286E-04 3.5694832E-01 18 2.5518713E-01 -1.8470810E-05 -3.7484294E-05 1.9819992E-01 19 1.0975038E-01 -2.5511178E-05 -4.2140391E-06 4.6835627E-02 4f 1 1.7841137E+03 7.1133624E-05 2 6.0117765E+02 7.2399270E-04 3 2.5602262E+02 5.0455380E-03 4 1.2288125E+02 2.0541503E-02 5 6.3119951E+01 6.6667964E-02 6 3.3734474E+01 1.4425026E-01 7 1.8482452E+01 2.6128506E-01 8 1.0148368E+01 2.8600941E-01 9 5.5325072E+00 3.3095705E-01 10 2.3819196E+00 1.8966496E-01 11 1.0518378E+00 2.1720060E-02 12 4.2255517E-01 6.1382934E-03 Foldy-Wouthuysen functions -------------------------- 1s 2s 3s 4s 5s 6s 1 6.1267281E+07 5.2404886E-04 -2.0778619E-04 9.9848974E-05 -5.0073132E-05 2.1902010E-05 -6.3320447E-06 2 1.6310458E+07 1.1478525E-03 -4.5584702E-04 2.1910146E-04 -1.0988034E-04 4.8061832E-05 -1.3895068E-05 3 5.5888882E+06 2.0697962E-03 -8.2336912E-04 3.9583740E-04 -1.9853565E-04 8.6843504E-05 -2.5107207E-05 4 2.1322062E+06 3.4438604E-03 -1.3747590E-03 6.6130734E-04 -3.3169407E-04 1.4509044E-04 -4.1946849E-05 5 8.9157691E+05 5.5865020E-03 -2.2398282E-03 1.0781629E-03 -5.4091738E-04 2.3663285E-04 -6.8412592E-05 6 3.9470916E+05 8.9012386E-03 -3.5930221E-03 1.7318369E-03 -8.6892701E-04 3.8013347E-04 -1.0989929E-04 7 1.8340343E+05 1.4215076E-02 -5.7880436E-03 2.7941345E-03 -1.4026591E-03 6.1374737E-04 -1.7744229E-04 8 8.8169505E+04 2.2847640E-02 -9.4152795E-03 4.5564002E-03 -2.2878452E-03 1.0011543E-03 -2.8945537E-04 9 4.3607826E+04 3.7164900E-02 -1.5558242E-02 7.5502344E-03 -3.7945757E-03 1.6609215E-03 -4.8021645E-04 10 2.2055705E+04 6.0825906E-02 -2.6033225E-02 1.2687690E-02 -6.3803706E-03 2.7930276E-03 -8.0754047E-04 11 1.1378794E+04 9.8520413E-02 -4.3566702E-02 2.1352569E-02 -1.0757143E-02 4.7109332E-03 -1.3620598E-03 12 5.9792975E+03 1.5255495E-01 -7.1017460E-02 3.5143684E-02 -1.7740489E-02 7.7736509E-03 -2.2478700E-03 13 3.2039033E+03 2.1299536E-01 -1.0763144E-01 5.4054583E-02 -2.7405404E-02 1.2020744E-02 -3.4764448E-03 14 1.7558335E+03 2.4562698E-01 -1.3987119E-01 7.1956562E-02 -3.6668648E-02 1.6107694E-02 -4.6602249E-03 15 9.8777100E+02 2.0691006E-01 -1.3058951E-01 6.8636317E-02 -3.5234111E-02 1.5501358E-02 -4.4849534E-03 16 5.7291490E+02 1.0769029E-01 -3.0590503E-02 1.1248630E-02 -4.9935383E-03 2.1234824E-03 -6.1272847E-04 17 3.4598363E+02 2.7986085E-02 1.5463117E-01 -1.1885520E-01 6.6441253E-02 -2.9881588E-02 8.6855591E-03 18 2.1766112E+02 3.3023334E-03 3.2653235E-01 -2.8693574E-01 1.6860919E-01 -7.6640234E-02 2.2292968E-02 19 1.3815017E+02 -1.1390761E-04 3.7516034E-01 -4.0685764E-01 2.4911483E-01 -1.1452525E-01 3.3412296E-02 20 8.6097605E+01 3.8335222E-05 2.3815723E-01 -2.5700897E-01 1.7026863E-01 -8.0469801E-02 2.3556884E-02 21 5.1764283E+01 -1.5307850E-04 5.9772064E-02 2.7829263E-01 -2.5885633E-01 1.3171582E-01 -3.9066767E-02 22 3.2705893E+01 3.7728344E-05 1.3267671E-03 6.1974636E-01 -7.3598876E-01 4.0390263E-01 -1.2153868E-01 23 2.0500673E+01 -6.3721868E-05 1.8758719E-03 4.0166627E-01 -5.4141075E-01 2.9093007E-01 -8.6852407E-02 24 1.2823154E+01 3.4464661E-05 -1.0889063E-03 1.0371214E-01 1.7956014E-01 -1.2721350E-01 3.7985169E-02 25 7.9445394E+00 -2.4234250E-05 4.4527002E-04 1.0630903E-02 7.4403205E-01 -6.5367039E-01 2.1745601E-01 26 4.8429888E+00 1.2403138E-05 -3.3080837E-04 1.1137814E-03 5.2883819E-01 -6.8974521E-01 2.4667235E-01 27 2.8256759E+00 -8.2715628E-06 1.6634363E-04 4.0250933E-05 1.0654983E-01 8.7315886E-02 -5.3550087E-02 28 1.6482318E+00 3.6645363E-06 -8.6058939E-05 -1.1743994E-04 3.4924724E-03 7.1226134E-01 -3.3857795E-01 29 9.3337927E-01 -2.4811654E-06 4.9604116E-05 -2.8674019E-05 1.6672984E-03 5.4443313E-01 -3.3663947E-01 30 5.1439267E-01 9.7293841E-07 -2.3447250E-05 -1.6669029E-05 -1.5242839E-04 1.3683434E-01 -1.1595920E-01 31 2.7275001E-01 -5.6255180E-07 1.0769735E-05 2.6168757E-06 1.5676664E-04 8.5337507E-03 2.0679540E-01 32 1.3613989E-01 1.8485139E-07 -4.7458974E-06 -1.2613789E-06 -5.4728359E-05 7.1819910E-04 4.9085828E-01 33 6.7007247E-02 -9.4453560E-08 1.6886833E-06 9.2284997E-07 1.7619251E-05 -2.7850234E-04 4.4715075E-01 34 3.2531065E-02 9.6667017E-09 -4.2962890E-07 -6.3561271E-08 -5.1908066E-06 -1.0190125E-05 1.0949903E-01 2p 3p 4p 5p 6p 1 5.7764817E+07 3.3012097E-06 -1.6813550E-06 8.3751930E-07 -3.3942219E-07 7.1368025E-08 2 1.7149744E+07 1.3356112E-05 -6.8121093E-06 3.3862052E-06 -1.3687193E-06 2.8794787E-07 3 5.4938711E+06 3.2889177E-05 -1.6818611E-05 8.3807455E-06 -3.3960940E-06 7.1412571E-07 4 1.8909622E+06 7.4386176E-05 -3.8051819E-05 1.8926694E-05 -7.6513665E-06 1.6097003E-06 5 6.8905422E+05 1.6313054E-04 -8.3760449E-05 4.1770620E-05 -1.6929194E-05 3.5599748E-06 6 2.6361307E+05 3.5523941E-04 -1.8275521E-04 9.1014246E-05 -3.6807220E-05 7.7436015E-06 7 1.0532244E+05 7.8110835E-04 -4.0391499E-04 2.0169715E-04 -8.1763450E-05 1.7195079E-05 8 4.3837690E+04 1.7581883E-03 -9.1304683E-04 4.5567990E-04 -1.8439631E-04 3.8794204E-05 9 1.9002845E+04 4.1049271E-03 -2.1470197E-03 1.0746287E-03 -4.3581179E-04 9.1663913E-05 10 8.5854638E+03 9.9134006E-03 -5.2266466E-03 2.6178003E-03 -1.0603121E-03 2.2308598E-04 11 4.0429294E+03 2.4203205E-02 -1.2920991E-02 6.4973574E-03 -2.6375612E-03 5.5486086E-04 12 1.9805871E+03 5.7186200E-02 -3.1118357E-02 1.5704350E-02 -6.3718770E-03 1.3408765E-03 13 1.0058710E+03 1.2330716E-01 -6.9160477E-02 3.5199081E-02 -1.4328788E-02 3.0154601E-03 14 5.2681901E+02 2.2504040E-01 -1.3152746E-01 6.7567975E-02 -2.7518940E-02 5.7941955E-03 15 2.8316741E+02 3.1376836E-01 -1.9078477E-01 9.9317036E-02 -4.0671378E-02 8.5644027E-03 16 1.5538887E+02 2.8306961E-01 -1.4262205E-01 6.8123337E-02 -2.7094599E-02 5.6912859E-03 17 8.6509262E+01 1.3252786E-01 1.1537085E-01 -9.9349842E-02 4.4358682E-02 -9.4662259E-03 18 4.8910607E+01 2.2677701E-02 4.3633134E-01 -3.5436442E-01 1.6110820E-01 -3.4381595E-02 19 2.8143988E+01 1.3318251E-03 4.1784086E-01 -3.3360014E-01 1.4596998E-01 -3.1034449E-02 20 1.6121991E+01 -2.4619050E-04 1.5436534E-01 1.4768945E-01 -1.0457402E-01 2.3529919E-02 21 9.0743138E+00 4.9640597E-05 1.7876385E-02 5.6508760E-01 -3.7032945E-01 8.3083806E-02 22 5.1421602E+00 -1.0963761E-04 1.2701183E-03 4.1866808E-01 -3.0611220E-01 6.9977042E-02 23 2.8542627E+00 5.7085815E-05 -1.2165067E-04 9.8962089E-02 1.9167562E-01 -5.7895124E-02 24 1.5539857E+00 -2.9028165E-05 4.0250874E-05 5.9923128E-03 5.3809110E-01 -1.4993671E-01 25 8.2679139E-01 1.8758756E-05 -7.6279034E-05 9.1045772E-04 3.9865963E-01 -1.2887226E-01 26 4.2727530E-01 -7.7909556E-06 1.9487515E-05 -7.7794022E-05 1.1904108E-01 -3.2958512E-04 27 1.9368537E-01 3.7936142E-06 -1.2462504E-05 5.1920737E-05 1.1902625E-02 2.3013298E-01 28 8.9521723E-02 -1.9612667E-06 6.3400846E-06 -3.6053850E-05 4.6837243E-04 4.3433791E-01 29 4.1486501E-02 8.9829708E-07 -2.8141201E-06 1.2487256E-05 3.0034189E-04 3.8453006E-01 30 1.9125199E-02 -2.6164701E-07 8.4357257E-07 -4.3186841E-06 -2.5151413E-05 9.6683166E-02 3d 4d 5d 1 7.7042701E+04 1.4841488E-05 -7.7012891E-06 2.3948814E-06 2 1.8395217E+04 9.1063533E-05 -4.7357890E-05 1.4765395E-05 3 6.0764814E+03 4.7887116E-04 -2.4981218E-04 7.7806395E-05 4 2.4017579E+03 2.2465271E-03 -1.1751474E-03 3.6659624E-04 5 1.0682154E+03 9.1699045E-03 -4.8305942E-03 1.5076457E-03 6 5.1573536E+02 3.1334848E-02 -1.6634692E-02 5.2023450E-03 7 2.6355653E+02 8.7421585E-02 -4.7203177E-02 1.4800230E-02 8 1.4054286E+02 1.9117404E-01 -1.0445547E-01 3.2835635E-02 9 7.7018490E+01 3.0739022E-01 -1.6515982E-01 5.1745682E-02 10 4.3100618E+01 3.2980222E-01 -1.4876543E-01 4.4554892E-02 11 2.4306623E+01 1.9806000E-01 5.5138702E-02 -3.0521506E-02 12 1.3606207E+01 5.5394350E-02 3.3578942E-01 -1.3133808E-01 13 7.5428878E+00 5.4626156E-03 4.3302541E-01 -1.6876146E-01 14 4.1359425E+00 5.6969150E-04 2.5255378E-01 -3.4633427E-02 15 2.1981943E+00 4.2183434E-06 5.9074687E-02 2.2956453E-01 16 1.1235290E+00 2.9616837E-05 3.9848702E-03 3.9240149E-01 17 5.4978744E-01 -1.5436001E-05 3.2512321E-04 3.5696385E-01 18 2.5518713E-01 6.3092302E-06 -2.5358446E-05 1.9820490E-01 19 1.0975038E-01 -1.7447285E-06 8.6020336E-06 4.6841060E-02 4f 1 1.7841137E+03 9.1444459E-05 2 6.0117765E+02 8.0359822E-04 3 2.5602262E+02 5.2987122E-03 4 1.2288125E+02 2.1057303E-02 5 6.3119951E+01 6.7503397E-02 6 3.3734474E+01 1.4516535E-01 7 1.8482452E+01 2.6209269E-01 8 1.0148368E+01 2.8641887E-01 9 5.5325072E+00 3.3119116E-01 10 2.3819196E+00 1.8971996E-01 11 1.0518378E+00 2.1733521E-02 12 4.2255517E-01 6.1486044E-03 Exponents of valence correlating functions ========================================== f f f g g h Hf 1.0876844E+00 4.0757909E-01 1.4970359E-01 8.2870055E-01 2.6099265E-01 6.2848241E-01 Ta 1.2637906E+00 4.9140560E-01 1.8408649E-01 9.8076324E-01 3.2068644E-01 7.4058021E-01 W 1.4303266E+00 5.7199483E-01 2.1756792E-01 1.1247807E+00 3.7896220E-01 8.4961092E-01 Re 1.5912492E+00 6.5110611E-01 2.5079181E-01 1.2659138E+00 4.3783171E-01 9.5789072E-01 Os 1.7495829E+00 7.2991987E-01 2.8417474E-01 1.4067982E+00 4.9855647E-01 1.0667409E+00 Ir 1.9067697E+00 8.0900327E-01 3.1790680E-01 1.5483638E+00 5.6189520E-01 1.1763233E+00 Pt 2.0640420E+00 8.8882536E-01 3.5215489E-01 1.6921677E+00 6.2926925E-01 1.2875573E+00 Au 2.2220809E+00 9.6965516E-01 3.8700265E-01 1.8387652E+00 7.0210737E-01 1.4004498E+00 Hg 2.3819196E+00 1.0518378E+00 4.2255517E-01 1.9905625E+00 7.8325320E-01 1.5156635E+00 Exponents of valence dipole polarization functions ================================================== f g h Hf 5.4986052E-02 8.2197560E-02 1.9793554E-01 Ta 6.8961029E-02 1.0485690E-01 2.4215226E-01 W 8.2755643E-02 1.2768031E-01 2.8625173E-01 Re 9.6599511E-02 1.5142943E-01 3.3129818E-01 Os 1.1063582E-01 1.7668387E-01 3.7804326E-01 Ir 1.2492500E-01 2.0390958E-01 4.2688315E-01 Pt 1.3952467E-01 2.3400741E-01 4.7880610E-01 Au 1.5445806E-01 2.6809011E-01 5.3474262E-01 Hg 1.6975324E-01 3.0819709E-01 5.9638835E-01 Exponents of outer core (5s5p) correlating g function ===================================================== g Hf 1.4437094E+00 Ta 1.6597629E+00 W 1.8690385E+00 Re 2.0766690E+00 Os 2.2852082E+00 Ir 2.4956504E+00 Pt 2.7094025E+00 Au 2.9270188E+00 Hg 3.1504569E+00 Exponents of 4f core correlating functions ========================================== g g g h h i Hf 2.0326934E+01 7.2241572E+00 2.5151387E+00 1.4305240E+01 4.8113483E+00 9.3531825E+00 Ta 2.2023548E+01 7.9160691E+00 2.8088460E+00 1.5476073E+01 5.2835023E+00 1.0140874E+01 W 2.3729636E+01 8.6130364E+00 3.1057652E+00 1.6663028E+01 5.7638600E+00 1.0942537E+01 Re 2.5450142E+01 9.3169818E+00 3.4066727E+00 1.7866799E+01 6.2525369E+00 1.1758159E+01 Os 2.7188428E+01 1.0029244E+01 3.7121005E+00 1.9088506E+01 6.7498413E+00 1.2588012E+01 Ir 2.8947485E+01 1.0750981E+01 4.0224855E+00 2.0328954E+01 7.2560214E+00 1.3432450E+01 Pt 3.0729387E+01 1.1483021E+01 4.3381409E+00 2.1589026E+01 7.7713582E+00 1.4291836E+01 Au 3.2536284E+01 1.2226182E+01 4.6593438E+00 2.2869254E+01 8.2960313E+00 1.5166536E+01 Hg 3.4368292E+01 1.2980604E+01 4.9862182E+00 2.4170855E+01 8.8304238E+00 1.6056775E+01 Exponents of 3d core correlating functions ========================================== g g h Hf 1.2225528E+02 4.7224248E+01 8.3948389E+01 Ta 1.2660917E+02 4.8945617E+01 8.7269964E+01 W 1.3104088E+02 5.0695938E+01 9.0546346E+01 Re 1.3556095E+02 5.2478487E+01 9.3837808E+01 Os 1.4016937E+02 5.4294067E+01 9.7169806E+01 Ir 1.4486714E+02 5.6143158E+01 1.0055352E+02 Pt 1.4965520E+02 5.8026551E+01 1.0399444E+02 Au 1.5453376E+02 5.9944046E+01 1.0749464E+02 Hg 1.5949923E+02 6.1895462E+01 1.1105804E+02 Exponents of 2s2p core correlating functions ============================================ g Hf 4.5085914E+02 Ta 4.6984278E+02 W 4.8828507E+02 Re 5.0646164E+02 Os 5.2473893E+02 Ir 5.4312767E+02 Pt 5.6176973E+02 Au 5.8072580E+02 Hg 6.0003455E+02 Exponents of 1s core correlating functions ========================================== f Hf 6.1900259E+03 Ta 6.4475260E+03 W 6.7134116E+03 Re 6.9907664E+03 Os 7.2782134E+03 Ir 7.5765798E+03 Pt 7.8871960E+03 Au 8.2101678E+03 Hg 8.5456133E+03