7s Block Triple-Zeta Basis Set Archive ====================================== Date: 01 May 2012 When publishing work that uses these basis sets, please use the following citation: K.G. Dyall, J. Phys. Chem. A (2009) 113:12638. Basis sets are available from the Dirac web site, http://dirac.chem.sdu.dk. For the core correlating functions for n=3 and 4, 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 orbital coefficients, given with respect to normalized (spherical or 2-spinor) Gaussian functions, for the basis sets described in the above articles. 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 ground state * Optimization of 3 functions for the 7p of Fr on the 7p eigenvalues of the 7p1 configuration, followed by reoptimization on the total energy of the 7p1 configuration of the functions for the 3p-6p outer antinodes with the 7p functions included and held fixed * Optimization of 3 functions for the 7p of Ra along with reoptimization of the functions for the 6p outer antinode, on the total energy of the 7p2 configuration * Replacement of the outermost d with the two 6p-correlating d functions and reoptimization of the remainder. * Replacement of the outermost two f functions with the 5d- and 6p-correlating f functions and reoptimization of the remainder. In all the following descriptions, this is the set referred to as the SCF exponent set. The correlating functions were generated as follows * Functions for the 6s6p and 5d shells were optimized in SDCI calculations with excitations out of these shells coupled to J=0. Only the higher angular functions were included in the correlating space (2d1f and 2f1g). * The correlating functions for the 7s in Ra (2d1f) were optimized in MR-SDCI calculations with the 7s and 7p orbitals in the active space, with the outer 6p-correlating d function included as one of the d functions and held fixed. * The d function for the 7s in Fr was taken as 7/3 times the 2nd s exponent of the SCF set; this ratio matches the mean radii of the functions. * 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. A 2g1h set was optimized for the 4f and 5f. For 3d correlation, a 2f1g set was used, with the 2f exponents taken from the occupied set and frozen while the g exponent was optimized. The functions for 6p dipole polarization were generated as follows: * A polarizing s function was optimized on the polarizability of the 6p shell with 6p -> ns excitations in the perturbing space. The uncontracted SCF s functions (see below) for the 6s were included and their exponents were held fixed. * The ratio of the dipole polarizing s exponent to the outer SCF s exponent for the 6s (4th exponent) was applied to the outer p exponent for the 6p (4th exponent) to generate a p function. * A polarizing d function was optimized on the polarizability of the 6p shell with 6p -> nd excitations in the perturbing space. The 6p correlating d functions were included and their exponents were held fixed. * The ratio of the dipole polarizing d exponent to the outer correlating d exponent was applied to the correlating f exponent for the 6p to generate an f function. The contractions are taken from SCF calculations on a weighted average of the 7s^n and 7p^n configurations, with a weight ratio of 4:1. 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 6s6p dipole polarization functions 4. Exponents of 7s7p correlating functions. 5. Exponents of 6s6p correlating functions. 6. Exponents of core correlating functions. Basis set construction. ---------------------- For the s elements, the outer core (n-1)s and (n-1)p must be included in the valence. For Ra, the valence np is considered an occupied orbital and is correlated; hence there is an extra correlating d function for Ra. Several different types of basis sets may be constructed by adding primitive functions to the SCF set. These basis sets are described below. NOTE: Functions are counted from the function with the smallest exponent to the largest. 1. Valence and outer core. To the SCF occupied set, add the following: 1st, 3rd, 4th, and 6th s primitives from the SCF set 1st, 3rd, 4th, and 6th p primitives from the SCF set 6s6p correlating 2d1f functions (outermost 2d1f primitives from the SCF set) valence correlating functions (1d for Fr, 1d1f for Ra) (HF + 4s4p3d1f/2f valence/outer core) 2. Core 5d correlation. To basis set 1, add the following: 7th and 9th s primitives from the SCF set 7th and 9th p primitives from the SCF set 3rd and 4th d primitives from the SCF set 5d correlating 2f1g set (HF + 4s4p3d1f/2f valence/outer core + 2s2p2d2f1g core) 3. Inner core correlation. Add the correlating functions to the basis sets for the desired shells, and uncontract two functions from each of the shells of the same principal quantum number, for n=3 and higher.For 2s2p and 1s correlation, uncontract 2d1f and 2p1d, respectively. The uncontracted functions should be chosen to span the radial maxima of the shells. 4. Outer core (6s6p) dipole polarization. To any of the above basis sets, add the s, p, d, and f polarizing functions. Dirac-Hartree-Fock basis sets ============================= ** Fr 223 ** Large component functions ------------------------- 1s+ 2s+ 3s+ 4s+ 5s+ 6s+ 7s+ 1 5.8419616E+07 3.2509193E-04 -1.3131053E-04 6.3671039E-05 -3.2615403E-05 -1.5488730E-05 6.2641894E-06 1.5550904E-06 2 1.5548955E+07 7.5642142E-04 -3.0684706E-04 1.4889324E-04 -7.6284363E-05 -3.6228864E-05 1.4652650E-05 3.6375744E-06 3 5.3205300E+06 1.4727653E-03 -6.0027925E-04 2.9150951E-04 -1.4938077E-04 -7.0945653E-05 2.8693168E-05 7.1230733E-06 4 2.0246328E+06 2.6125626E-03 -1.0727341E-03 5.2157721E-04 -2.6736122E-04 -1.2699317E-04 5.1364473E-05 1.2751608E-05 5 8.4451476E+05 4.5564035E-03 -1.8869075E-03 9.1874362E-04 -4.7110250E-04 -2.2377414E-04 9.0503496E-05 2.2467208E-05 6 3.7302410E+05 7.7902206E-03 -3.2631368E-03 1.5917701E-03 -8.1661489E-04 -3.8797637E-04 1.5693779E-04 3.8962173E-05 7 1.7306339E+05 1.3353394E-02 -5.6664675E-03 2.7701043E-03 -1.4218003E-03 -6.7549715E-04 2.7319665E-04 6.7818321E-05 8 8.3094314E+04 2.2909746E-02 -9.8796981E-03 4.8423466E-03 -2.4872299E-03 -1.1821286E-03 4.7824824E-04 1.1873898E-04 9 4.1047046E+04 3.9364349E-02 -1.7304710E-02 8.5096385E-03 -4.3739578E-03 -2.0786854E-03 8.4067713E-04 2.0867944E-04 10 2.0723446E+04 6.6942526E-02 -3.0193860E-02 1.4912633E-02 -7.6747051E-03 -3.6498138E-03 1.4769511E-03 3.6672873E-04 11 1.0662414E+04 1.1033141E-01 -5.1603586E-02 2.5658293E-02 -1.3224289E-02 -6.2884342E-03 2.5431683E-03 6.3123732E-04 12 5.5759609E+03 1.6972698E-01 -8.4001810E-02 4.2205255E-02 -2.1816654E-02 -1.0388872E-02 4.2060919E-03 1.0445535E-03 13 2.9594929E+03 2.2834644E-01 -1.2312184E-01 6.2929613E-02 -3.2658092E-02 -1.5553303E-02 6.2900129E-03 1.5609702E-03 14 1.5921114E+03 2.4043468E-01 -1.4342526E-01 7.4808312E-02 -3.9052873E-02 -1.8656176E-02 7.5643936E-03 1.8796557E-03 15 8.6664759E+02 1.6504888E-01 -8.0041042E-02 3.8923445E-02 -1.9861331E-02 -9.3804581E-03 3.7690904E-03 9.3238945E-04 16 4.7462647E+02 5.3894180E-02 1.3778416E-01 -1.0952161E-01 6.3121825E-02 3.0819781E-02 -1.2497260E-02 -3.0981655E-03 17 2.6568598E+02 4.3838394E-03 4.1148630E-01 -3.7049688E-01 2.2310450E-01 1.1072284E-01 -4.5309485E-02 -1.1277391E-02 18 1.5063979E+02 6.4162762E-04 4.1880971E-01 -4.7657992E-01 3.0562856E-01 1.5368916E-01 -6.2751614E-02 -1.5573692E-02 19 8.6313573E+01 -4.0970225E-04 1.6469019E-01 -5.7699073E-02 2.7477716E-02 1.4623423E-02 -6.4832290E-03 -1.6778565E-03 20 5.0448776E+01 2.5997344E-04 1.7107564E-02 6.2190401E-01 -6.8197946E-01 -4.0231247E-01 1.7149189E-01 4.2967690E-02 21 2.9524880E+01 -2.2202973E-04 1.5301837E-03 5.7628102E-01 -8.0387827E-01 -4.8689569E-01 2.0609965E-01 5.1302916E-02 22 1.7066560E+01 1.6058016E-04 -6.6788974E-04 1.5159462E-01 1.3541155E-01 1.1771998E-01 -4.7564624E-02 -1.1487191E-02 23 9.8886758E+00 -1.1048915E-04 2.4132368E-04 8.2937519E-03 8.9233066E-01 9.3698307E-01 -4.6855306E-01 -1.2025523E-01 24 5.7493667E+00 8.1044858E-05 -2.4199319E-04 1.6757109E-03 4.5484853E-01 7.0748603E-01 -3.6414857E-01 -9.2243145E-02 25 3.4099608E+00 -5.0811251E-05 1.4937865E-04 -6.3543383E-04 5.6020207E-02 -4.7862484E-01 3.1792556E-01 8.1832568E-02 26 1.8946974E+00 2.6590731E-05 -6.5466872E-05 1.0611755E-04 5.2369614E-03 -8.9273388E-01 7.8889187E-01 2.2305146E-01 27 1.0468141E+00 -1.3748432E-05 3.7347845E-05 -1.1667925E-04 -5.3097286E-04 -3.0071057E-01 3.5026699E-01 1.0033919E-01 28 5.3357465E-01 6.4551007E-06 -1.7432212E-05 4.8981394E-05 3.2022642E-04 -1.7005903E-02 -5.4193877E-01 -1.9066685E-01 29 2.7244306E-01 -3.0462260E-06 7.8245898E-06 -1.7272377E-05 -2.0649184E-04 -5.4024401E-04 -7.1191277E-01 -2.9625642E-01 30 1.3595219E-01 1.1224549E-06 -3.0137067E-06 8.1625543E-06 5.1385302E-05 -5.4766696E-05 -2.1626979E-01 -2.3704510E-01 31 3.9507129E-02 -4.6611835E-07 1.2280608E-06 -3.0423355E-06 -2.5040072E-05 -1.9456599E-05 -5.3996754E-03 3.9389060E-01 32 2.1464112E-02 3.5656804E-07 -9.3867938E-07 2.3158504E-06 1.9294915E-05 2.1028045E-05 1.4207893E-03 6.1480505E-01 33 1.1133000E-02 -1.0448150E-07 2.7583318E-07 -6.8832317E-07 -5.5151433E-06 -3.6339284E-06 -4.1994791E-04 1.9584174E-01 2p- 3p- 4p- 5p- 6p- 7p- 1 4.9121619E+07 5.4396258E-05 -2.7973941E-05 1.4291517E-05 -6.5383765E-06 2.4049856E-06 -4.0000014E-07 2 1.3649671E+07 1.7364715E-04 -8.9304404E-05 4.5624935E-05 -2.0873201E-05 7.6774905E-06 -1.2768958E-06 3 4.1665499E+06 3.8621175E-04 -1.9865515E-04 1.0149542E-04 -4.6434944E-05 1.7080147E-05 -2.8408101E-06 4 1.3752589E+06 7.7756755E-04 -4.0006727E-04 2.0441289E-04 -9.3519655E-05 3.4397595E-05 -5.7208136E-06 5 4.8282216E+05 1.4980791E-03 -7.7119472E-04 3.9409203E-04 -1.8031171E-04 6.6326621E-05 -1.1031912E-05 6 1.7863235E+05 2.8339071E-03 -1.4604912E-03 7.4653224E-04 -3.4156656E-04 1.2562794E-04 -2.0892766E-05 7 6.9279500E+04 5.3613318E-03 -2.7691792E-03 1.4162506E-03 -6.4814554E-04 2.3844687E-04 -3.9663480E-05 8 2.8109691E+04 1.0328702E-02 -5.3579122E-03 2.7430609E-03 -1.2554621E-03 4.6172918E-04 -7.6779369E-05 9 1.1936233E+04 2.0556793E-02 -1.0744909E-02 5.5113696E-03 -2.5243424E-03 9.2900313E-04 -1.5456203E-04 10 5.3083270E+03 4.2266360E-02 -2.2375713E-02 1.1512666E-02 -5.2749742E-03 1.9399444E-03 -3.2251260E-04 11 2.4700376E+03 8.7124874E-02 -4.7076908E-02 2.4346542E-02 -1.1175972E-02 4.1160163E-03 -6.8503759E-04 12 1.1984419E+03 1.6813899E-01 -9.3675068E-02 4.8814193E-02 -2.2431590E-02 8.2507523E-03 -1.3711637E-03 13 6.0269216E+02 2.7362183E-01 -1.5799212E-01 8.3142981E-02 -3.8349615E-02 1.4147557E-02 -2.3565224E-03 14 3.1235724E+02 3.2315954E-01 -1.8276341E-01 9.5319180E-02 -4.3738623E-02 1.6048195E-02 -2.6612175E-03 15 1.6551234E+02 2.1976914E-01 -2.8148171E-02 -6.0725957E-03 5.2631394E-03 -2.0038311E-03 3.1689542E-04 16 8.8969435E+01 6.1645811E-02 3.2439391E-01 -2.6234357E-01 1.3435796E-01 -5.0785910E-02 8.5063974E-03 17 4.9085595E+01 4.1376851E-03 4.9705303E-01 -4.2540665E-01 2.2010084E-01 -8.2301805E-02 1.3623398E-02 18 2.7218820E+01 2.6071321E-04 2.5127819E-01 -2.8536544E-02 -2.1081688E-02 9.5368557E-03 -1.4511123E-03 19 1.4839688E+01 -1.6667575E-04 3.6854027E-02 5.5786238E-01 -4.2320013E-01 1.7420925E-01 -2.9561803E-02 20 8.1668273E+00 3.1067642E-06 1.3520848E-03 5.0818735E-01 -4.2757859E-01 1.7447938E-01 -2.8730045E-02 21 4.3996225E+00 -1.0548726E-05 5.3087468E-05 1.1635761E-01 2.5979759E-01 -1.5043482E-01 2.4979158E-02 22 2.3331552E+00 1.0348829E-05 -5.1285211E-05 4.3518043E-03 6.7909652E-01 -4.1087582E-01 7.3031222E-02 23 1.2039599E+00 -8.8308297E-07 -3.3865732E-05 6.1627502E-04 3.2023200E-01 -1.4942929E-01 2.2927181E-02 24 5.6361607E-01 1.1356210E-06 8.6986806E-06 -1.8059257E-04 2.9382241E-02 4.4664360E-01 -8.4850268E-02 25 2.6257559E-01 -4.6009757E-07 -4.4198951E-06 4.3215714E-05 6.4083481E-04 5.7636676E-01 -1.3422505E-01 26 1.1812287E-01 1.7264905E-07 1.8769453E-06 -1.9366298E-05 3.4975151E-05 1.9258777E-01 -7.3459232E-02 27 3.3681241E-02 -6.8339856E-08 -8.0421030E-07 8.1605340E-06 -2.6962194E-06 5.4975052E-03 3.7864785E-01 28 1.5239100E-02 4.8800251E-08 5.6152615E-07 -5.4993809E-06 -1.0806927E-05 -4.1183913E-04 5.8959666E-01 29 7.2348791E-03 -1.7392454E-08 -2.0217783E-07 1.9819645E-06 3.6661953E-06 1.1901532E-04 1.4128804E-01 2p+ 3p+ 4p+ 5p+ 6p+ 7p+ 1 4.9121619E+07 1.4114780E-07 -7.5450016E-08 3.8801060E-08 -1.7560142E-08 6.1082404E-09 -1.1069982E-09 2 1.3649671E+07 6.0896287E-07 -3.2590483E-07 1.6784503E-07 -7.5953417E-08 2.6357096E-08 -4.7990010E-09 3 4.1665499E+06 2.5094589E-06 -1.3435736E-06 6.9137869E-07 -3.1291790E-07 1.0880053E-07 -1.9735150E-08 4 1.3752589E+06 9.5247952E-06 -5.1081612E-06 2.6315846E-06 -1.1910270E-06 4.1348428E-07 -7.5226190E-08 5 4.8282216E+05 3.5149403E-05 -1.8879704E-05 9.7241025E-06 -4.4019011E-06 1.5301848E-06 -2.7769890E-07 6 1.7863235E+05 1.2715169E-04 -6.8474699E-05 3.5308931E-05 -1.5984582E-05 5.5505919E-06 -1.0094729E-06 7 6.9279500E+04 4.5348042E-04 -2.4488356E-04 1.2630322E-04 -5.7192545E-05 1.9879630E-05 -3.6087664E-06 8 2.8109691E+04 1.5829886E-03 -8.5824474E-04 4.4326366E-04 -2.0075069E-04 6.9722953E-05 -1.2677716E-05 9 1.1936233E+04 5.3039600E-03 -2.8912247E-03 1.4947329E-03 -6.7722293E-04 2.3540279E-04 -4.2739955E-05 10 5.3083270E+03 1.6620600E-02 -9.1468934E-03 4.7416788E-03 -2.1494243E-03 7.4668341E-04 -1.3575810E-04 11 2.4700376E+03 4.7201215E-02 -2.6421938E-02 1.3751546E-02 -6.2406400E-03 2.1698905E-03 -3.9398630E-04 12 1.1984419E+03 1.1635951E-01 -6.7071073E-02 3.5179973E-02 -1.5992816E-02 5.5584861E-03 -1.0107287E-03 13 6.0269216E+02 2.3228846E-01 -1.3973189E-01 7.4108892E-02 -3.3790150E-02 1.1761003E-02 -2.1350270E-03 14 3.1235724E+02 3.3565293E-01 -2.1005224E-01 1.1268326E-01 -5.1500666E-02 1.7909937E-02 -3.2595276E-03 15 1.6551234E+02 2.9032345E-01 -1.3638344E-01 6.3907654E-02 -2.8139714E-02 9.7577334E-03 -1.7600585E-03 16 8.8969435E+01 1.1386653E-01 1.9905754E-01 -1.6874198E-01 8.5434651E-02 -3.0390302E-02 5.5026726E-03 17 4.9085595E+01 1.2132392E-02 5.1107995E-01 -4.4452184E-01 2.2808932E-01 -8.0926021E-02 1.4786574E-02 18 2.7218820E+01 9.8587054E-04 3.5691660E-01 -2.1819034E-01 9.4590995E-02 -3.2844205E-02 5.8508232E-03 19 1.4839688E+01 -5.5942996E-04 7.8845915E-02 4.2691626E-01 -3.1126284E-01 1.1878726E-01 -2.1517448E-02 20 8.1668273E+00 2.3405391E-04 2.8548455E-03 6.0866464E-01 -5.2095019E-01 2.0346434E-01 -3.7669916E-02 21 4.3996225E+00 -1.6109347E-04 7.0188819E-04 2.0775203E-01 3.6740175E-02 -3.5374279E-02 7.4093168E-03 22 2.3331552E+00 9.8580997E-05 -4.0401821E-04 1.3853763E-02 6.5334963E-01 -3.4887222E-01 6.4418612E-02 23 1.2039599E+00 -4.3694352E-05 1.0027446E-04 1.5701147E-03 4.5741756E-01 -2.7753152E-01 5.4386174E-02 24 5.6361607E-01 2.1377259E-05 -5.8175124E-05 -4.7821945E-04 7.1266851E-02 2.7036970E-01 -5.9510453E-02 25 2.6257559E-01 -1.0151800E-05 2.7352778E-05 1.7748652E-04 -5.1537135E-04 5.9444346E-01 -1.2463007E-01 26 1.1812287E-01 3.9355846E-06 -1.0374415E-05 -7.5599996E-05 9.6213801E-04 3.4092257E-01 -1.4800971E-01 27 3.3681241E-02 -1.6017359E-06 4.1662391E-06 3.1949671E-05 -3.7053346E-04 3.3518080E-02 2.4464625E-01 28 1.5239100E-02 1.1364381E-06 -2.9709754E-06 -2.2235038E-05 2.4040207E-04 -1.1487679E-02 6.6845622E-01 29 7.2348791E-03 -4.0665427E-07 1.0615896E-06 7.9978660E-06 -8.6761645E-05 3.8604486E-03 1.9934115E-01 3d- 4d- 5d- 1 5.1818254E+04 8.6307269E-05 -4.6915350E-05 1.8941888E-05 2 1.2461148E+04 4.4332482E-04 -2.4161903E-04 9.7675807E-05 3 4.1524769E+03 1.9951851E-03 -1.0897087E-03 4.4027842E-04 4 1.6543655E+03 8.1921857E-03 -4.5056844E-03 1.8252397E-03 5 7.3982103E+02 2.9280466E-02 -1.6221204E-02 6.5731156E-03 6 3.5713561E+02 8.6400568E-02 -4.8676141E-02 1.9822340E-02 7 1.8208064E+02 1.9892562E-01 -1.1340302E-01 4.6214511E-02 8 9.6157663E+01 3.2711631E-01 -1.8306023E-01 7.4525098E-02 9 5.2126487E+01 3.3952146E-01 -1.4878632E-01 5.5327754E-02 10 2.8492045E+01 1.8239871E-01 1.1588162E-01 -7.2853051E-02 11 1.5416056E+01 3.9455499E-02 4.2356664E-01 -2.2422035E-01 12 8.3339161E+00 2.2223387E-03 4.2257312E-01 -2.0361995E-01 13 4.4381845E+00 3.1121482E-04 1.6137061E-01 1.3890672E-01 14 2.2959872E+00 -7.0145963E-05 1.7491637E-02 4.7527227E-01 15 1.1558388E+00 3.1513685E-05 4.1305448E-04 4.1754774E-01 16 5.5549041E-01 -9.4413969E-06 -1.6338126E-04 1.4381312E-01 17 2.4440860E-01 3.5052362E-06 -3.7778082E-06 1.3500929E-02 3d+ 4d+ 5d+ 1 5.1818254E+04 1.0540944E-05 -5.7353023E-06 2.2926089E-06 2 1.2461148E+04 1.3086306E-04 -7.1543233E-05 2.8704881E-05 3 4.1524769E+03 9.9837567E-04 -5.4589878E-04 2.1860421E-04 4 1.6543655E+03 5.5156119E-03 -3.0364509E-03 1.2195369E-03 5 7.3982103E+02 2.3285841E-02 -1.2905041E-02 5.1836079E-03 6 3.5713561E+02 7.5619189E-02 -4.2616389E-02 1.7200436E-02 7 1.8208064E+02 1.8488897E-01 -1.0571353E-01 4.2731629E-02 8 9.6157663E+01 3.1962292E-01 -1.8065949E-01 7.3039754E-02 9 5.2126487E+01 3.4947595E-01 -1.6298929E-01 6.1638800E-02 10 2.8492045E+01 1.9929059E-01 8.5582771E-02 -5.7510270E-02 11 1.5416056E+01 4.6597449E-02 4.0653162E-01 -2.1343286E-01 12 8.3339161E+00 2.8276660E-03 4.3986681E-01 -2.1736812E-01 13 4.4381845E+00 4.1958405E-04 1.8171244E-01 1.0190096E-01 14 2.2959872E+00 -9.8833689E-05 2.1909658E-02 4.5810174E-01 15 1.1558388E+00 4.4624509E-05 5.8631645E-04 4.3903583E-01 16 5.5549041E-01 -1.5883442E-05 -1.3258920E-04 1.6487864E-01 17 2.4440860E-01 5.2300475E-06 -1.2720596E-05 1.8010386E-02 4f- 1 1.3194878E+03 3.8669114E-04 2 4.4583551E+02 3.3662194E-03 3 1.8925708E+02 1.8358831E-02 4 9.0065906E+01 6.5716816E-02 5 4.5424860E+01 1.6753924E-01 6 2.3711491E+01 2.9355293E-01 7 1.2424613E+01 3.5452994E-01 8 6.4206194E+00 2.7632741E-01 9 3.1440747E+00 1.1203602E-01 10 1.2778094E+00 1.1692358E-02 11 4.9956478E-01 -6.1118814E-04 4f+ 1 1.3194878E+03 2.7235272E-04 2 4.4583551E+02 2.8734590E-03 3 1.8925708E+02 1.6753935E-02 4 9.0065906E+01 6.2402289E-02 5 4.5424860E+01 1.6244036E-01 6 2.3711491E+01 2.8869059E-01 7 1.2424613E+01 3.5549861E-01 8 6.4206194E+00 2.8251470E-01 9 3.1440747E+00 1.1787599E-01 10 1.2778094E+00 1.3050368E-02 11 4.9956478E-01 -6.9400274E-04 Small component functions ------------------------- 1s+ 2s+ 3s+ 4s+ 5s+ 6s+ 7s+ 1 5.8419616E+07 -3.6401858E-04 1.4660542E-04 -7.1052947E-05 3.6392039E-05 1.7281285E-05 -6.9889073E-06 -1.7349726E-06 2 1.5548955E+07 -1.2183390E-03 4.9075086E-04 -2.3784738E-04 1.2182469E-04 5.7853717E-05 -2.3399064E-05 -5.8089859E-06 3 5.3205300E+06 -2.2724701E-03 9.1603233E-04 -4.4402917E-04 2.2743059E-04 1.0799751E-04 -4.3675301E-05 -1.0842085E-05 4 2.0246328E+06 -4.0281624E-03 1.6252154E-03 -7.8789363E-04 4.0359072E-04 1.9167285E-04 -7.7526471E-05 -1.9247009E-05 5 8.4451476E+05 -6.4867272E-03 2.6209512E-03 -1.2709962E-03 6.5105716E-04 3.0915474E-04 -1.2501855E-04 -3.1033976E-05 6 3.7302410E+05 -1.0290593E-02 4.1671193E-03 -2.0214906E-03 1.0356814E-03 4.9191326E-04 -1.9898218E-04 -4.9402112E-05 7 1.7306339E+05 -1.5651612E-02 6.3610475E-03 -3.0880464E-03 1.5822114E-03 7.5131748E-04 -3.0380255E-04 -7.5411033E-05 8 8.3094314E+04 -2.3448616E-02 9.5883193E-03 -4.6596689E-03 2.3884697E-03 1.1346594E-03 -4.5903362E-04 -1.1397255E-04 9 4.1047046E+04 -3.3982331E-02 1.4040802E-02 -6.8376463E-03 3.5060314E-03 1.6650556E-03 -6.7323948E-04 -1.6710528E-04 10 2.0723446E+04 -4.7641868E-02 2.0045760E-02 -9.7947683E-03 5.0277682E-03 2.3895638E-03 -9.6690978E-04 -2.4009094E-04 11 1.0662414E+04 -6.2986213E-02 2.7346946E-02 -1.3446391E-02 6.9112258E-03 3.2839278E-03 -1.3277841E-03 -3.2954835E-04 12 5.5759609E+03 -7.6219169E-02 3.4931249E-02 -1.7357324E-02 8.9486089E-03 4.2585232E-03 -1.7239711E-03 -4.2814106E-04 13 2.9594929E+03 -7.9236306E-02 3.9599409E-02 -2.0037324E-02 1.0373368E-02 4.9370074E-03 -1.9962435E-03 -4.9537992E-04 14 1.5921114E+03 -6.3720768E-02 3.5451012E-02 -1.8362610E-02 9.5714350E-03 4.5707865E-03 -1.8531680E-03 -4.6048725E-04 15 8.6664759E+02 -3.3071227E-02 1.5522669E-02 -7.6722138E-03 3.9363954E-03 1.8624790E-03 -7.4894216E-04 -1.8532921E-04 16 4.7462647E+02 -8.1229744E-03 -1.8174455E-02 1.4225984E-02 -8.1700951E-03 -3.9847576E-03 1.6150847E-03 4.0032945E-04 17 2.6568598E+02 -4.8706559E-04 -4.2345440E-02 3.7607990E-02 -2.2584568E-02 -1.1201306E-02 4.5832704E-03 1.1407603E-03 18 1.5063979E+02 -6.1761997E-05 -3.2810180E-02 3.6946558E-02 -2.3656304E-02 -1.1890757E-02 4.8545459E-03 1.2047883E-03 19 8.6313573E+01 3.2695873E-05 -9.8151701E-03 3.5821728E-03 -1.7940999E-03 -9.5914720E-04 4.2275639E-04 1.0900593E-04 20 5.0448776E+01 -1.8044292E-05 -7.7842386E-04 -2.7896644E-02 3.0489462E-02 1.7973725E-02 -7.6606767E-03 -1.9193845E-03 21 2.9524880E+01 1.2183677E-05 -5.4774165E-05 -1.9850182E-02 2.7624780E-02 1.6728702E-02 -7.0809098E-03 -1.7626029E-03 22 1.7066560E+01 -7.3752701E-06 1.8831129E-05 -3.9720291E-03 -3.5091954E-03 -3.0473541E-03 1.2295598E-03 2.9680930E-04 23 9.8886758E+00 4.4220083E-06 -5.7250886E-06 -1.6610709E-04 -1.7737689E-02 -1.8610420E-02 9.3049680E-03 2.3880980E-03 24 5.7493667E+00 -2.7587277E-06 4.3064612E-06 -2.5010642E-05 -6.8999500E-03 -1.0725625E-02 5.5206482E-03 1.3984648E-03 25 3.4099608E+00 1.5278132E-06 -2.1345838E-06 7.1726490E-06 -6.5376326E-04 5.5844415E-03 -3.7085567E-03 -9.5453080E-04 26 1.8946974E+00 -7.2012542E-07 7.7289030E-07 -7.8956363E-07 -4.5929018E-05 7.7664931E-03 -6.8620799E-03 -1.9401479E-03 27 1.0468141E+00 3.3612018E-07 -3.4438215E-07 6.8663776E-07 3.6052260E-06 1.9449449E-03 -2.2651301E-03 -6.4889237E-04 28 5.3357465E-01 -1.4541261E-07 1.2859172E-07 -1.9401618E-07 -1.5574045E-06 7.8440780E-05 2.5017608E-03 8.8015373E-04 29 2.7244306E-01 6.5137242E-08 -4.8713437E-08 4.1436583E-08 7.1878143E-07 1.8195248E-06 2.3483633E-03 9.7723432E-04 30 1.3595219E-01 -2.2955720E-08 1.5477981E-08 -1.3234623E-08 -1.3357004E-07 1.1392630E-07 5.0396762E-04 5.5236183E-04 31 3.9507129E-02 9.2396221E-09 -5.1383713E-09 1.3299500E-09 3.7336056E-08 3.0275630E-08 6.7796597E-06 -4.9477551E-04 32 2.1464112E-02 -7.2067999E-09 3.7259053E-09 -1.5635267E-10 -2.2539247E-08 -2.4110738E-08 -1.3129841E-06 -5.6923355E-04 33 1.1133000E-02 2.2632226E-09 -1.0950905E-09 -1.7726010E-10 5.1688788E-09 3.9051840E-09 2.7922351E-07 -1.3058953E-04 2p- 3p- 4p- 5p- 6p- 7p- 1 4.9121619E+07 -1.9614015E-05 1.0090803E-05 -5.1557872E-06 2.3591428E-06 -8.6799731E-07 1.4440289E-07 2 1.3649671E+07 -6.6345763E-05 3.4151456E-05 -1.7451426E-05 7.9833502E-06 -2.9356429E-06 4.8812682E-07 3 4.1665499E+06 -1.5391105E-04 7.9284998E-05 -4.0522530E-05 1.8543726E-05 -6.8231316E-06 1.1351586E-06 4 1.3752589E+06 -3.1881941E-04 1.6444779E-04 -8.4074309E-05 3.8463574E-05 -1.4142773E-05 2.3513923E-06 5 4.8282216E+05 -6.3217464E-04 3.2665937E-04 -1.6707998E-04 7.6476678E-05 -2.8143795E-05 4.6827817E-06 6 1.7863235E+05 -1.2319058E-03 6.3828943E-04 -3.2668076E-04 1.4948623E-04 -5.4961276E-05 9.1369570E-06 7 6.9279500E+04 -2.3860953E-03 1.2407476E-03 -6.3558427E-04 2.9104725E-04 -1.0712663E-04 1.7826497E-05 8 2.8109691E+04 -4.5961280E-03 2.4022478E-03 -1.2320681E-03 5.6404662E-04 -2.0738090E-04 3.4472710E-05 9 1.1936233E+04 -8.7120922E-03 4.5863426E-03 -2.3564135E-03 1.0799010E-03 -3.9758263E-04 6.6167487E-05 10 5.3083270E+03 -1.5925355E-02 8.4810485E-03 -4.3696424E-03 2.0025655E-03 -7.3633799E-04 1.2238789E-04 11 2.4700376E+03 -2.7179222E-02 1.4754237E-02 -7.6382465E-03 3.5073896E-03 -1.2920292E-03 2.1507073E-04 12 1.1984419E+03 -4.1092403E-02 2.2997906E-02 -1.1996249E-02 5.5136803E-03 -2.0278826E-03 3.3696998E-04 13 6.0269216E+02 -5.0604977E-02 2.9399618E-02 -1.5491785E-02 7.1480570E-03 -2.6373857E-03 4.3934200E-04 14 3.1235724E+02 -4.4325231E-02 2.5361421E-02 -1.3268983E-02 6.0934796E-03 -2.2359395E-03 3.7075299E-04 15 1.6551234E+02 -2.1803984E-02 2.8017787E-03 6.1517955E-04 -5.2983644E-04 2.0117131E-04 -3.1735923E-05 16 8.8969435E+01 -3.8887333E-03 -2.4920668E-02 2.0053420E-02 -1.0260796E-02 3.8779009E-03 -6.4953626E-04 17 4.9085595E+01 3.2427561E-04 -2.8454511E-02 2.4304644E-02 -1.2573182E-02 4.7014709E-03 -7.7824021E-04 18 2.7218820E+01 3.6394408E-04 -1.0730563E-02 1.2863934E-03 8.4975986E-04 -3.8727770E-04 5.8654846E-05 19 1.4839688E+01 2.4291416E-04 -1.1627375E-03 -1.7489828E-02 1.3269188E-02 -5.4623152E-03 9.2692421E-04 20 8.1668273E+00 1.5186162E-04 -3.2036799E-05 -1.1829666E-02 9.9607160E-03 -4.0652794E-03 6.6940213E-04 21 4.3996225E+00 1.0038435E-04 -1.0252889E-06 -1.9756977E-03 -4.4466671E-03 2.5735327E-03 -4.2731174E-04 22 2.3331552E+00 6.2771128E-05 4.7944882E-07 -4.3323793E-05 -8.4651594E-03 5.1207221E-03 -9.1016722E-04 23 1.2039599E+00 4.2096250E-05 2.4301940E-07 1.7376044E-06 -2.8680951E-03 1.3384702E-03 -2.0538366E-04 24 5.6361607E-01 2.7346573E-05 -1.1486869E-07 5.8546029E-06 -1.8066451E-04 -2.7351247E-03 5.1960664E-04 25 2.6257559E-01 1.3330683E-05 -2.8054474E-09 2.1207791E-06 -2.9751875E-06 -2.4093793E-03 5.6110987E-04 26 1.1812287E-01 1.0688893E-05 -2.7426945E-08 1.9071418E-06 -3.5355323E-07 -5.3982330E-04 2.0595149E-04 27 3.3681241E-02 6.0393178E-06 -9.7453790E-09 1.0324038E-06 -1.3470340E-07 -8.1155918E-06 -5.6697128E-04 28 1.5239100E-02 -3.7461905E-07 -3.0078568E-10 -5.8680065E-08 1.8006034E-08 4.0868010E-07 -5.9381966E-04 29 7.2348791E-03 2.5527405E-06 -4.5873534E-09 4.4031650E-07 -6.1539944E-08 -3.3293886E-08 -9.8054837E-05 2p+ 3p+ 4p+ 5p+ 6p+ 7p+ 1 4.9121619E+07 -2.4249549E-07 1.2939072E-07 -6.6339708E-08 3.0030606E-08 -1.0500321E-08 1.8837480E-09 2 1.3649671E+07 -1.2310521E-06 6.5858510E-07 -3.3967713E-07 1.5367560E-07 -5.3160229E-08 9.7384557E-09 3 4.1665499E+06 -4.7726196E-06 2.5490185E-06 -1.3095225E-06 5.9268248E-07 -2.0649766E-07 3.7304489E-08 4 1.3752589E+06 -1.6946825E-05 9.0631373E-06 -4.6689481E-06 2.1125904E-06 -7.3243207E-07 1.3359430E-07 5 4.8282216E+05 -5.6108883E-05 2.9989929E-05 -1.5421440E-05 6.9792421E-06 -2.4279528E-06 4.3992719E-07 6 1.7863235E+05 -1.7494491E-04 9.3608350E-05 -4.8205092E-05 2.1813886E-05 -7.5706006E-06 1.3781365E-06 7 6.9279500E+04 -5.1341752E-04 2.7488596E-04 -1.4145908E-04 6.4023472E-05 -2.2258068E-05 4.0382862E-06 8 2.8109691E+04 -1.4126175E-03 7.5816817E-04 -3.9064644E-04 1.7681456E-04 -6.1393062E-05 1.1166473E-05 9 1.1936233E+04 -3.6002093E-03 1.9402969E-03 -1.0002854E-03 4.5289774E-04 -1.5742140E-04 2.8576242E-05 10 5.3083270E+03 -8.3759464E-03 4.5551007E-03 -2.3546394E-03 1.0666321E-03 -3.7046777E-04 6.7362713E-05 11 2.4700376E+03 -1.7428252E-02 9.6404923E-03 -5.0030899E-03 2.2688993E-03 -7.8882384E-04 1.4321658E-04 12 1.1984419E+03 -3.1327446E-02 1.7856710E-02 -9.3418187E-03 4.2441507E-03 -1.4749057E-03 2.6819689E-04 13 6.0269216E+02 -4.5603713E-02 2.7160158E-02 -1.4372029E-02 6.5493856E-03 -2.2793683E-03 4.1377193E-04 14 3.1235724E+02 -4.8253264E-02 2.9954761E-02 -1.6045446E-02 7.3310403E-03 -2.5492935E-03 4.6396225E-04 15 1.6551234E+02 -3.0670367E-02 1.4400276E-02 -6.7745274E-03 2.9869962E-03 -1.0359935E-03 1.8689229E-04 16 8.8969435E+01 -8.8580932E-03 -1.5162974E-02 1.2832349E-02 -6.4941430E-03 2.3099135E-03 -4.1822559E-04 17 4.9085595E+01 -7.0350778E-04 -2.9207539E-02 2.5353445E-02 -1.3004632E-02 4.6137758E-03 -8.4301552E-04 18 2.7218820E+01 -4.1757482E-05 -1.5227991E-02 9.3125443E-03 -4.0425786E-03 1.4040531E-03 -2.5014813E-04 19 1.4839688E+01 1.7316662E-05 -2.4846409E-03 -1.3403949E-02 9.7673966E-03 -3.7271495E-03 6.7513362E-04 20 8.1668273E+00 -5.2452786E-06 -6.7160843E-05 -1.4196178E-02 1.2144719E-02 -4.7430497E-03 8.7813611E-04 21 4.3996225E+00 2.6177375E-06 -1.1787969E-05 -3.5579485E-03 -6.2582265E-04 6.0383482E-04 -1.2650839E-04 22 2.3331552E+00 -1.1463304E-06 4.9080930E-06 -1.7263644E-04 -8.1421235E-03 4.3472262E-03 -8.0270062E-04 23 1.2039599E+00 3.4799750E-07 -8.3260819E-07 -1.4124764E-05 -4.0952469E-03 2.4845526E-03 -4.8688104E-04 24 5.6361607E-01 -1.1026621E-07 3.2599794E-07 2.9589048E-06 -4.3659597E-04 -1.6559507E-03 3.6448574E-04 25 2.6257559E-01 3.2295568E-08 -9.9743083E-08 -7.5566994E-07 2.1678968E-06 -2.4851931E-03 5.2103669E-04 26 1.1812287E-01 -7.0361521E-09 2.3399238E-08 2.1717181E-07 -2.7030326E-06 -9.5597415E-04 4.1502725E-04 27 3.3681241E-02 8.0075484E-10 -3.9883439E-09 -4.9840590E-08 5.5675147E-07 -5.0189051E-05 -3.6631176E-04 28 1.5239100E-02 -2.3917719E-12 1.3903777E-09 2.3805350E-08 -2.4348411E-07 1.1570966E-05 -6.7324529E-04 29 7.2348791E-03 -1.5315163E-10 -1.2791386E-10 -6.0826891E-09 6.0720042E-08 -2.6793581E-06 -1.3833532E-04 3d- 4d- 5d- 1 5.1818254E+04 -3.3088173E-05 1.7996923E-05 -7.2599336E-06 2 1.2461148E+04 -1.8554777E-04 1.0135235E-04 -4.1015555E-05 3 4.1524769E+03 -7.6179692E-04 4.1638474E-04 -1.6820909E-04 4 1.6543655E+03 -2.5245063E-03 1.3894240E-03 -5.6300920E-04 5 7.3982103E+02 -6.8267769E-03 3.7829696E-03 -1.5329093E-03 6 3.5713561E+02 -1.4870381E-02 8.3796628E-03 -3.4127014E-03 7 1.8208064E+02 -2.5174613E-02 1.4360726E-02 -5.8530600E-03 8 9.6157663E+01 -3.0524059E-02 1.7103299E-02 -6.9647796E-03 9 5.2126487E+01 -2.3475284E-02 1.0320401E-02 -3.8424413E-03 10 2.8492045E+01 -9.3174949E-03 -5.9377894E-03 3.7323158E-03 11 1.5416056E+01 -1.4520609E-03 -1.6027975E-02 8.4836710E-03 12 8.3339161E+00 -4.0326415E-05 -1.1766968E-02 5.6722030E-03 13 4.4381845E+00 4.1833730E-06 -3.2774946E-03 -2.8215487E-03 14 2.2959872E+00 5.6519833E-06 -2.5331221E-04 -6.9502308E-03 15 1.1558388E+00 1.9301394E-06 -3.0533610E-06 -4.3327326E-03 16 5.5549041E-01 8.3216726E-07 1.6194836E-06 -1.0344799E-03 17 2.4440860E-01 5.2710961E-07 3.1974040E-07 -6.4218852E-05 3d+ 4d+ 5d+ 1 5.1818254E+04 -1.2834176E-05 6.9614294E-06 -2.7784430E-06 2 1.2461148E+04 -1.0356532E-04 5.6493441E-05 -2.2662880E-05 3 4.1524769E+03 -5.2550234E-04 2.8650455E-04 -1.1464784E-04 4 1.6543655E+03 -1.9774080E-03 1.0856745E-03 -4.3582000E-04 5 7.3982103E+02 -5.8222551E-03 3.2184245E-03 -1.2920440E-03 6 3.5713561E+02 -1.3454392E-02 7.5650420E-03 -3.0519342E-03 7 1.8208064E+02 -2.3812023E-02 1.3588124E-02 -5.4904590E-03 8 9.6157663E+01 -3.0126344E-02 1.7003558E-02 -6.8726689E-03 9 5.2126487E+01 -2.4352136E-02 1.1355424E-02 -4.2957747E-03 10 2.8492045E+01 -1.0286250E-02 -4.3835397E-03 2.9482887E-03 11 1.5416056E+01 -1.7701667E-03 -1.5396430E-02 8.0806686E-03 12 8.3339161E+00 -7.9008207E-05 -1.2259737E-02 6.0571690E-03 13 4.4381845E+00 -8.5248096E-06 -3.6970597E-03 -2.0704809E-03 14 2.2959872E+00 1.4386649E-06 -3.2062376E-04 -6.7002901E-03 15 1.1558388E+00 -4.5922364E-07 -6.0936157E-06 -4.5566154E-03 16 5.5549041E-01 1.1249522E-07 9.5683034E-07 -1.1863387E-03 17 2.4440860E-01 -2.4419846E-08 5.9989062E-08 -8.5957203E-05 4f- 1 1.3194878E+03 -1.1877183E-04 2 4.4583551E+02 -7.0900253E-04 3 1.8925708E+02 -2.6542166E-03 4 9.0065906E+01 -6.7039824E-03 5 4.5424860E+01 -1.2253377E-02 6 2.3711491E+01 -1.5581644E-02 7 1.2424613E+01 -1.3650500E-02 8 6.4206194E+00 -7.6549762E-03 9 3.1440747E+00 -2.1715190E-03 10 1.2778094E+00 -1.4384673E-04 11 4.9956478E-01 4.9011681E-06 4f+ 1 1.3194878E+03 -9.9203354E-05 2 4.4583551E+02 -6.3862726E-04 3 1.8925708E+02 -2.4775057E-03 4 9.0065906E+01 -6.4261529E-03 5 4.5424860E+01 -1.1938130E-02 6 2.3711491E+01 -1.5364229E-02 7 1.2424613E+01 -1.3708743E-02 8 6.4206194E+00 -7.8357759E-03 9 3.1440747E+00 -2.2881550E-03 10 1.2778094E+00 -1.6153477E-04 11 4.9956478E-01 5.3774427E-06 ** Ra 226 ** Large component functions ------------------------- 1s+ 2s+ 3s+ 4s+ 5s+ 6s+ 7s+ 1 5.8056557E+07 3.4730214E-04 -1.4100190E-04 6.8466234E-05 3.5172688E-05 -1.6870663E-05 -7.1036869E-06 2.0791607E-06 2 1.5452470E+07 8.0659250E-04 -3.2890407E-04 1.5982266E-04 8.2120071E-05 -3.9391642E-05 -1.6587073E-05 4.8549262E-06 3 5.2870525E+06 1.5663784E-03 -6.4182227E-04 3.1213165E-04 1.6041022E-04 -7.6947959E-05 -3.2400523E-05 9.4831402E-06 4 2.0115992E+06 2.7698888E-03 -1.1435219E-03 5.5681018E-04 2.8624852E-04 -1.3732965E-04 -5.7830025E-05 1.6926884E-05 5 8.3934865E+05 4.8102635E-03 -2.0032218E-03 9.7683652E-04 5.0234479E-04 -2.4100730E-04 -1.0148135E-04 2.9701294E-05 6 3.7128116E+05 8.1669695E-03 -3.4408274E-03 1.6810308E-03 8.6492527E-04 -4.1506224E-04 -1.7480264E-04 5.1167670E-05 7 1.7294447E+05 1.3845636E-02 -5.9107154E-03 2.8940515E-03 1.4897573E-03 -7.1487530E-04 -3.0100684E-04 8.8092508E-05 8 8.3649795E+04 2.3389109E-02 -1.0148159E-02 4.9819139E-03 2.5664552E-03 -1.2320944E-03 -5.1899036E-04 1.5193367E-04 9 4.1767358E+04 3.9482305E-02 -1.7462905E-02 8.6012215E-03 4.4339577E-03 -2.1282468E-03 -8.9606659E-04 2.6221218E-04 10 2.1350283E+04 6.6059235E-02 -2.9964312E-02 1.4822209E-02 7.6506739E-03 -3.6752956E-03 -1.5486002E-03 4.5343176E-04 11 1.1118984E+04 1.0753427E-01 -5.0531139E-02 2.5159633E-02 1.3004327E-02 -6.2451723E-03 -2.6292184E-03 7.6923625E-04 12 5.8809083E+03 1.6394191E-01 -8.1297785E-02 4.0884401E-02 2.1193673E-02 -1.0195199E-02 -4.2983261E-03 1.2589675E-03 13 3.1591708E+03 2.1984395E-01 -1.1820290E-01 6.0414146E-02 3.1430156E-02 -1.5113572E-02 -6.3616967E-03 1.8604644E-03 14 1.7229431E+03 2.3539931E-01 -1.3926402E-01 7.2559247E-02 3.7971578E-02 -1.8328658E-02 -7.7413241E-03 2.2700031E-03 15 9.5144311E+02 1.7162592E-01 -8.9495186E-02 4.4709285E-02 2.3046133E-02 -1.1004852E-02 -4.6018505E-03 1.3387563E-03 16 5.2972135E+02 6.4576079E-02 9.8538212E-02 -8.0289285E-02 -4.6467453E-02 2.2863496E-02 9.6242251E-03 -2.8023593E-03 17 3.0018773E+02 7.6010751E-03 3.6720405E-01 -3.2022037E-01 -1.9183314E-01 9.6108738E-02 4.0994083E-02 -1.2052937E-02 18 1.7251050E+02 6.8038861E-04 4.3247067E-01 -4.7454324E-01 -3.0119685E-01 1.5219031E-01 6.4579995E-02 -1.8861021E-02 19 1.0027795E+02 -3.3957068E-04 2.1460150E-01 -1.8545999E-01 -1.2288662E-01 6.5754571E-02 2.8946151E-02 -8.6559069E-03 20 5.8647643E+01 2.2724620E-04 3.3878882E-02 4.8838775E-01 5.0573707E-01 -2.9812891E-01 -1.3271130E-01 3.9424507E-02 21 3.5129986E+01 -2.1873013E-04 1.7161832E-03 6.3619639E-01 8.6136526E-01 -5.2608477E-01 -2.3152389E-01 6.7773262E-02 22 2.0948896E+01 1.4875141E-04 -2.5620510E-04 2.5254388E-01 1.8119061E-01 -1.0279210E-01 -5.1332165E-02 1.6157034E-02 23 1.1963831E+01 -9.8020183E-05 2.1930858E-05 2.8071151E-02 -7.7877009E-01 7.3871877E-01 3.7466474E-01 -1.1417880E-01 24 7.1144017E+00 7.4619156E-05 -1.5044667E-04 4.6290108E-04 -6.3810918E-01 9.3547716E-01 5.0822619E-01 -1.5238496E-01 25 4.2105796E+00 -4.5265970E-05 8.3725308E-05 2.7184873E-04 -1.3682351E-01 -1.2946818E-01 -1.0853530E-01 3.0824570E-02 26 2.3458282E+00 2.4277098E-05 -3.2298900E-05 -2.7778655E-04 -8.0427138E-03 -9.3245952E-01 -7.8356519E-01 2.6195096E-01 27 1.3151035E+00 -1.3258226E-05 2.4329200E-05 2.5128869E-05 -3.0707136E-04 -4.7878528E-01 -5.9615275E-01 2.0668227E-01 28 6.7742231E-01 6.6253172E-06 -1.1699611E-05 -2.3097576E-05 -1.2643993E-04 -4.6115008E-02 3.6830766E-01 -1.5204764E-01 29 3.6154996E-01 -3.3900367E-06 5.4860329E-06 1.8143220E-05 1.3350593E-04 8.4114911E-04 8.0424669E-01 -4.1237883E-01 30 1.8622319E-01 1.3050975E-06 -2.3426726E-06 -3.7608748E-06 -1.4778382E-05 -6.0291897E-04 3.2576912E-01 -3.1792166E-01 31 6.4748370E-02 -4.7495018E-07 8.1800894E-07 1.8538781E-06 1.1216973E-05 1.1649310E-04 1.2457497E-02 3.5587596E-01 32 3.2395122E-02 2.8284378E-07 -4.8004992E-07 -1.1762594E-06 -7.2839104E-06 -6.2551655E-05 -3.2351447E-03 6.7734195E-01 33 1.5655666E-02 -7.7818810E-08 1.3647532E-07 2.7606384E-07 1.6006906E-06 1.8050048E-05 3.9200844E-04 2.3002516E-01 2p- 3p- 4p- 5p- 6p- 7p- 1 5.0056466E+07 5.6194068E-05 -2.8943985E-05 1.4836279E-05 -6.8702564E-06 2.6712059E-06 -6.5181272E-07 2 1.4107896E+07 1.8009681E-04 -9.2766628E-05 4.7551738E-05 -2.2019551E-05 8.5611649E-06 -2.0890016E-06 3 4.3501780E+06 3.9881358E-04 -2.0545983E-04 1.0532090E-04 -4.8771887E-05 1.8963018E-05 -4.6272745E-06 4 1.4475158E+06 7.9849889E-04 -4.1147923E-04 2.1094551E-04 -9.7683196E-05 3.7978768E-05 -9.2670543E-06 5 5.1145888E+05 1.5291163E-03 -7.8840157E-04 4.0421955E-04 -1.8719781E-04 7.2786900E-05 -1.7761559E-05 6 1.9018287E+05 2.8739405E-03 -1.4833667E-03 7.6075959E-04 -3.5231192E-04 1.3697435E-04 -3.3421390E-05 7 7.4036494E+04 5.3977841E-03 -2.7920987E-03 1.4326366E-03 -6.6363035E-04 2.5806308E-04 -6.2977207E-05 8 3.0112568E+04 1.0311172E-02 -5.3557355E-03 2.7510929E-03 -1.2744417E-03 4.9547134E-04 -1.2088248E-04 9 1.2800233E+04 2.0324353E-02 -1.0635490E-02 5.4723415E-03 -2.5369975E-03 9.8685227E-04 -2.4086952E-04 10 5.6922318E+03 4.1383826E-02 -2.1923812E-02 1.1317265E-02 -5.2482785E-03 2.0404570E-03 -4.9773225E-04 11 2.6467159E+03 8.4721020E-02 -4.5788110E-02 2.3746886E-02 -1.1033399E-02 4.2947593E-03 -1.0485763E-03 12 1.2829167E+03 1.6332856E-01 -9.0922335E-02 4.7526374E-02 -2.2102646E-02 8.5953973E-03 -2.0961091E-03 13 6.4458296E+02 2.6788695E-01 -1.5449386E-01 8.1478652E-02 -3.8038609E-02 1.4829137E-02 -3.6230590E-03 14 3.3376271E+02 3.2283598E-01 -1.8350232E-01 9.6280143E-02 -4.4737197E-02 1.7367308E-02 -4.2283030E-03 15 1.7677153E+02 2.2811289E-01 -4.1973125E-02 2.8864470E-03 9.2438912E-04 -4.5294248E-04 9.2484455E-05 16 9.4809898E+01 6.8242020E-02 3.0825894E-01 -2.5012940E-01 1.2982642E-01 -5.1861087E-02 1.2739036E-02 17 5.1933303E+01 4.7321002E-03 5.0600944E-01 -4.3543420E-01 2.2831852E-01 -9.0549390E-02 2.2046067E-02 18 2.8532970E+01 4.1944322E-04 2.6336769E-01 -4.1398575E-02 -1.3907546E-02 7.6589992E-03 -1.7482319E-03 19 1.5323812E+01 -2.7883279E-04 3.7990987E-02 5.7553588E-01 -4.4689107E-01 1.9492163E-01 -4.8522194E-02 20 8.3196830E+00 8.1763371E-05 1.0228452E-03 5.0882573E-01 -4.2817189E-01 1.8595906E-01 -4.5278307E-02 21 4.3889791E+00 -5.9733770E-05 1.0688200E-04 1.0374710E-01 3.2764471E-01 -2.0337029E-01 5.0825172E-02 22 2.3031805E+00 4.2313215E-05 -8.9777983E-05 2.2841150E-03 6.9221514E-01 -4.5177707E-01 1.1940888E-01 23 1.1732158E+00 -2.1097678E-05 -1.1254246E-05 7.2785332E-04 2.6276801E-01 -1.0513619E-01 2.0658468E-02 24 6.0152593E-01 1.3166678E-05 2.1635911E-06 -2.9264110E-04 1.5639387E-02 4.8851463E-01 -1.4165644E-01 25 2.9708711E-01 -7.1325534E-06 -1.5900652E-06 9.2648386E-05 3.9468140E-03 5.4669917E-01 -2.1411255E-01 26 1.4774966E-01 3.4429426E-06 9.9570092E-07 -4.2459229E-05 -1.3743967E-03 1.7414742E-01 -7.8331219E-02 27 6.0067998E-02 -1.4978197E-06 -5.5905204E-07 1.9190397E-05 5.2902021E-04 1.3608066E-02 3.8874188E-01 28 2.7705364E-02 7.6151118E-07 2.4847643E-07 -8.6031887E-06 -2.9997348E-04 -3.2918846E-04 5.8578056E-01 29 1.2496437E-02 -2.2487299E-07 -8.2485661E-08 2.6820813E-06 8.3965616E-05 5.6446150E-04 1.7613905E-01 2p+ 3p+ 4p+ 5p+ 6p+ 7p+ 1 5.0056466E+07 1.4508809E-07 -7.7785415E-08 4.0123028E-08 -1.8408548E-08 6.8468631E-09 -1.7515785E-09 2 1.4107896E+07 6.1661893E-07 -3.3082124E-07 1.7118013E-07 -7.8508370E-08 2.9080360E-08 -7.4221471E-09 3 4.3501780E+06 2.5105712E-06 -1.3480075E-06 6.9597410E-07 -3.1932094E-07 1.1867913E-07 -3.0347744E-08 4 1.4475158E+06 9.4038605E-06 -5.0561174E-06 2.6162853E-06 -1.2001442E-06 4.4487180E-07 -1.1358976E-07 5 5.1145888E+05 3.4310375E-05 -1.8480328E-05 9.5518995E-06 -4.3831702E-06 1.6283818E-06 -4.1629375E-07 6 1.9018287E+05 1.2268757E-04 -6.6239923E-05 3.4303046E-05 -1.5739967E-05 5.8366814E-06 -1.4905654E-06 7 7.4036494E+04 4.3326078E-04 -2.3460837E-04 1.2144192E-04 -5.5743810E-05 2.0705581E-05 -5.2926706E-06 8 3.0112568E+04 1.5000914E-03 -8.1538382E-04 4.2290078E-04 -1.9413120E-04 7.2007002E-05 -1.8391183E-05 9 1.2800233E+04 5.0033412E-03 -2.7344581E-03 1.4188550E-03 -6.5163621E-04 2.4203777E-04 -6.1864422E-05 10 5.6922318E+03 1.5655294E-02 -8.6342440E-03 4.4942204E-03 -2.0649234E-03 7.6612223E-04 -1.9568707E-04 11 2.6467159E+03 4.4574044E-02 -2.4991980E-02 1.3052126E-02 -6.0040097E-03 2.2307208E-03 -5.7017769E-04 12 1.2829167E+03 1.1063283E-01 -6.3802344E-02 3.3590681E-02 -1.5476804E-02 5.7450040E-03 -1.4674537E-03 13 6.4458296E+02 2.2397033E-01 -1.3465862E-01 7.1617524E-02 -3.3096878E-02 1.2310601E-02 -3.1472747E-03 14 3.3376271E+02 3.3152286E-01 -2.0773525E-01 1.1193552E-01 -5.1858703E-02 1.9258365E-02 -4.9179128E-03 15 1.7677153E+02 2.9882327E-01 -1.4885110E-01 7.2033919E-02 -3.2443949E-02 1.2053776E-02 -3.0870075E-03 16 9.4809898E+01 1.2505057E-01 1.7548576E-01 -1.5188094E-01 7.8273079E-02 -2.9848684E-02 7.6626300E-03 17 5.1933303E+01 1.4391483E-02 5.1260628E-01 -4.4708198E-01 2.3261749E-01 -8.8177601E-02 2.2543695E-02 18 2.8532970E+01 1.1249459E-03 3.7452915E-01 -2.3942259E-01 1.0824239E-01 -4.0530023E-02 1.0426100E-02 19 1.5323812E+01 -6.3879825E-04 8.2661009E-02 4.3742393E-01 -3.2726115E-01 1.3458986E-01 -3.4857643E-02 20 8.3196830E+00 2.9576701E-04 2.1709265E-03 6.2051157E-01 -5.4008084E-01 2.2598140E-01 -5.8197315E-02 21 4.3889791E+00 -2.0565267E-04 8.8036300E-04 1.9392105E-01 9.0109937E-02 -6.5464019E-02 1.7214387E-02 22 2.3031805E+00 1.3659958E-04 -5.5199038E-04 8.5270436E-03 7.0138520E-01 -4.1536436E-01 1.1205641E-01 23 1.1732158E+00 -7.6801805E-05 2.1761705E-04 2.2559829E-03 3.9736566E-01 -2.5939538E-01 6.8901938E-02 24 6.0152593E-01 4.6658432E-05 -1.3611005E-04 -1.0684822E-03 4.5655682E-02 3.2492324E-01 -9.6390158E-02 25 2.9708711E-01 -2.5511335E-05 7.3687484E-05 5.0074196E-04 6.5779315E-03 5.7934747E-01 -2.0364317E-01 26 1.4774966E-01 1.2343696E-05 -3.5309090E-05 -2.4359400E-04 -2.0597519E-03 3.1003841E-01 -1.7855718E-01 27 6.0067998E-02 -5.3838238E-06 1.5217319E-05 1.0930490E-04 8.1580481E-04 4.3395224E-02 2.4585205E-01 28 2.7705364E-02 2.7346048E-06 -7.7848133E-06 -5.3840329E-05 -4.7785044E-04 -2.6469899E-03 6.3034720E-01 29 1.2496437E-02 -8.0851200E-07 2.2883247E-06 1.6252575E-05 1.3292339E-04 1.8596693E-03 2.8674184E-01 3d- 4d- 5d- 1 5.7321161E+04 8.0886324E-05 -4.4219905E-05 1.8280145E-05 2 1.3721190E+04 4.1182870E-04 -2.2567570E-04 9.3382429E-05 3 4.5494920E+03 1.8339546E-03 -1.0072643E-03 4.1672801E-04 4 1.8045830E+03 7.4905040E-03 -4.1408581E-03 1.7168725E-03 5 8.0425799E+02 2.6861987E-02 -1.4958048E-02 6.2064635E-03 6 3.8733407E+02 8.0099417E-02 -4.5315013E-02 1.8884616E-02 7 1.9715347E+02 1.8803711E-01 -1.0780107E-01 4.4998235E-02 8 1.0407153E+02 3.1811454E-01 -1.7969330E-01 7.4921863E-02 9 5.6412705E+01 3.4530165E-01 -1.5995366E-01 6.2201964E-02 10 3.0890774E+01 1.9756554E-01 8.7595759E-02 -6.1263666E-02 11 1.6789097E+01 4.6992779E-02 4.0504200E-01 -2.2073067E-01 12 9.1175647E+00 3.0096048E-03 4.3705481E-01 -2.2340104E-01 13 4.8919908E+00 3.6974411E-04 1.8215537E-01 1.0743503E-01 14 2.5537405E+00 -8.6415391E-05 2.2716297E-02 4.6857652E-01 15 1.3015811E+00 4.0888297E-05 4.4423792E-04 4.3339459E-01 16 6.3850522E-01 -1.3220768E-05 -1.3221888E-04 1.5444703E-01 17 2.9233038E-01 4.7396213E-06 -1.6743712E-05 1.4787979E-02 3d+ 4d+ 5d+ 1 5.7321161E+04 9.2537657E-06 -5.0673262E-06 2.0776102E-06 2 1.3721190E+04 1.1498855E-04 -6.3214053E-05 2.5982516E-05 3 4.5494920E+03 8.8274984E-04 -4.8561278E-04 1.9938777E-04 4 1.8045830E+03 4.9219854E-03 -2.7242160E-03 1.1210333E-03 5 8.0425799E+02 2.1045560E-02 -1.1727518E-02 4.8291314E-03 6 3.8733407E+02 6.9468367E-02 -3.9321221E-02 1.6259048E-02 7 1.9715347E+02 1.7371538E-01 -9.9888896E-02 4.1402308E-02 8 1.0407153E+02 3.0937542E-01 -1.7642135E-01 7.3122553E-02 9 5.6412705E+01 3.5404379E-01 -1.7290531E-01 6.8088274E-02 10 3.0890774E+01 2.1509510E-01 5.7075274E-02 -4.5610299E-02 11 1.6789097E+01 5.5271254E-02 3.8517215E-01 -2.0856411E-01 12 9.1175647E+00 3.8625002E-03 4.5244782E-01 -2.3558727E-01 13 4.8919908E+00 4.8513198E-04 2.0411041E-01 6.9529305E-02 14 2.5537405E+00 -1.1326733E-04 2.8237640E-02 4.4863949E-01 15 1.3015811E+00 5.3874812E-05 6.6796960E-04 4.5423861E-01 16 6.3850522E-01 -2.0002347E-05 -8.8590364E-05 1.7647136E-01 17 2.9233038E-01 6.5932201E-06 -2.9771311E-05 1.9654367E-02 4f- 1 1.3862901E+03 3.7654385E-04 2 4.6783673E+02 3.2725513E-03 3 1.9849692E+02 1.7905315E-02 4 9.4490361E+01 6.4499733E-02 5 4.7690347E+01 1.6553453E-01 6 2.4930297E+01 2.9231907E-01 7 1.3095920E+01 3.5509779E-01 8 6.7950520E+00 2.7732355E-01 9 3.3516116E+00 1.1212715E-01 10 1.3821010E+00 1.1640645E-02 11 5.6842679E-01 -6.2569261E-04 4f+ 1 1.3862901E+03 2.6179595E-04 2 4.6783673E+02 2.7768401E-03 3 1.9849692E+02 1.6286181E-02 4 9.4490361E+01 6.1131221E-02 5 4.7690347E+01 1.6034692E-01 6 2.4930297E+01 2.8733150E-01 7 1.3095920E+01 3.5603187E-01 8 6.7950520E+00 2.8362462E-01 9 3.3516116E+00 1.1805081E-01 10 1.3821010E+00 1.3005147E-02 11 5.6842679E-01 -7.1355880E-04 Small component functions ------------------------- 1s+ 2s+ 3s+ 4s+ 5s+ 6s+ 7s+ 1 5.8056557E+07 -3.8550147E-04 1.5604942E-04 -7.5735494E-05 -3.8901893E-05 1.8658271E-05 7.8560629E-06 -2.2993021E-06 2 1.5452470E+07 -1.2883730E-03 5.2160343E-04 -2.5315357E-04 -1.3003757E-04 6.2373700E-05 2.6264831E-05 -7.6877489E-06 3 5.2870525E+06 -2.3983919E-03 9.7175389E-04 -4.7169831E-04 -2.4229754E-04 1.1620986E-04 4.8928672E-05 -1.4319988E-05 4 2.0115992E+06 -4.2417769E-03 1.7201839E-03 -8.3510739E-04 -4.2900804E-04 2.0579066E-04 8.6661230E-05 -2.5367068E-05 5 8.3934865E+05 -6.8054998E-03 2.7640537E-03 -1.3422831E-03 -6.8955175E-04 3.3071053E-04 1.3923219E-04 -4.0746704E-05 6 3.7128116E+05 -1.0736212E-02 4.3701518E-03 -2.1230042E-03 -1.0908333E-03 5.2332289E-04 2.2040090E-04 -6.4519870E-05 7 1.7294447E+05 -1.6171286E-02 6.6070683E-03 -3.2120739E-03 -1.6504961E-03 7.9156788E-04 3.3322523E-04 -9.7510220E-05 8 8.3649795E+04 -2.3931132E-02 9.8366675E-03 -4.7872627E-03 -2.4609988E-03 1.1809239E-03 4.9743444E-04 -1.4563554E-04 9 4.1767358E+04 -3.4208104E-02 1.4207093E-02 -6.9285013E-03 -3.5628087E-03 1.7088449E-03 7.1929186E-04 -2.1045686E-04 10 2.1350283E+04 -4.7468385E-02 2.0063021E-02 -9.8164754E-03 -5.0535217E-03 2.4261795E-03 1.0222339E-03 -2.9933221E-04 11 1.1118984E+04 -6.2371844E-02 2.7171710E-02 -1.3375560E-02 -6.8940009E-03 3.3080891E-03 1.3923402E-03 -4.0731591E-04 12 5.8809083E+03 -7.5315749E-02 3.4530456E-02 -1.7169644E-02 -8.8763044E-03 4.2671912E-03 1.7989189E-03 -5.2692118E-04 13 3.1591708E+03 -7.8601055E-02 3.9098437E-02 -1.9777005E-02 -1.0263031E-02 4.9316384E-03 2.0754196E-03 -6.0690625E-04 14 1.7229431E+03 -6.4812744E-02 3.5672970E-02 -1.8448245E-02 -9.6383193E-03 4.6505161E-03 1.9640671E-03 -5.7593064E-04 15 9.5144311E+02 -3.6024928E-02 1.7995355E-02 -9.0754396E-03 -4.6937072E-03 2.2440384E-03 9.3896327E-04 -2.7326745E-04 16 5.2972135E+02 -1.0292825E-02 -1.3474133E-02 1.0825082E-02 6.2436842E-03 -3.0680941E-03 -1.2905325E-03 3.7558858E-04 17 3.0018773E+02 -9.0543432E-04 -4.0037073E-02 3.4412217E-02 2.0553876E-02 -1.0290511E-02 -4.3888575E-03 1.2904278E-03 18 1.7251050E+02 -7.1532993E-05 -3.6218145E-02 3.9281315E-02 2.4884393E-02 -1.2567540E-02 -5.3322616E-03 1.5572931E-03 19 1.0027795E+02 3.2058447E-05 -1.3779547E-02 1.1931501E-02 7.9363130E-03 -4.2474517E-03 -1.8690426E-03 5.5868811E-04 20 5.8647643E+01 -1.9214998E-05 -1.6661359E-03 -2.3563416E-02 -2.4311975E-02 1.4320115E-02 6.3737755E-03 -1.8934866E-03 21 3.5129986E+01 1.4465487E-05 -6.6101844E-05 -2.3896573E-02 -3.2262045E-02 1.9696754E-02 8.6677621E-03 -2.5372800E-03 22 2.0948896E+01 -8.5653330E-06 8.2792116E-06 -7.3299955E-03 -5.2742436E-03 3.0010588E-03 1.4977519E-03 -4.7117600E-04 23 1.1963831E+01 5.0166909E-06 -1.0582921E-06 -6.1794093E-04 1.7017796E-02 -1.6128606E-02 -8.1785015E-03 2.4923393E-03 24 7.1144017E+00 -3.2733060E-06 2.9610493E-06 -6.5515735E-06 1.0767699E-02 -1.5772599E-02 -8.5682804E-03 2.5690868E-03 25 4.2105796E+00 1.7911930E-06 -1.3431107E-06 -4.2570192E-06 1.7749686E-03 1.6762635E-03 1.4048713E-03 -3.9889613E-04 26 2.3458282E+00 -8.8412920E-07 4.5012751E-07 3.0802017E-06 7.8547100E-05 9.0258500E-03 7.5833793E-03 -2.5351052E-03 27 1.3151035E+00 4.4046206E-07 -2.4949253E-07 -3.8679357E-07 1.8993095E-06 3.4708739E-03 4.3208989E-03 -1.4980255E-03 28 6.7742231E-01 -2.0652572E-07 9.7398453E-08 2.2222622E-07 8.1927725E-07 2.3980204E-04 -1.9156810E-03 7.9080865E-04 29 3.6154996E-01 1.0195288E-07 -3.9709051E-08 -1.2194289E-07 -5.9095045E-07 -3.1374482E-06 -3.0561476E-03 1.5670089E-03 30 1.8622319E-01 -3.7937354E-08 1.3663311E-08 3.0732180E-08 7.2507404E-08 1.6216062E-06 -8.8846740E-04 8.6703673E-04 31 6.4748370E-02 1.3729041E-08 -4.0538436E-09 -1.0725315E-08 -3.0202867E-08 -1.7872047E-07 -2.0029686E-05 -5.7227849E-04 32 3.2395122E-02 -8.4358684E-09 2.2584960E-09 6.1910761E-09 1.5906263E-08 6.5746995E-08 3.6775975E-06 -7.7044991E-04 33 1.5655666E-02 2.5213271E-09 -6.2676346E-10 -1.6910894E-09 -3.5781896E-09 -1.2631361E-08 -3.0927409E-07 -1.8188985E-04 2p- 3p- 4p- 5p- 6p- 7p- 1 5.0056466E+07 -2.0440728E-05 1.0532986E-05 -5.3991986E-06 2.5006563E-06 -9.7249521E-07 2.3735256E-07 2 1.4107896E+07 -6.9320475E-05 3.5737582E-05 -1.8324189E-05 8.4845039E-06 -3.2980857E-06 8.0460104E-07 3 4.3501780E+06 -1.6019036E-04 8.2651775E-05 -4.2380105E-05 1.9630363E-05 -7.6344901E-06 1.8633649E-06 4 1.4475158E+06 -3.2977954E-04 1.7035799E-04 -8.7394962E-05 4.0468577E-05 -1.5730052E-05 3.8372325E-06 5 5.1145888E+05 -6.4927348E-04 3.3602658E-04 -1.7242140E-04 7.9885024E-05 -3.1072356E-05 7.5845907E-06 6 1.9018287E+05 -1.2553143E-03 6.5136662E-04 -3.3452769E-04 1.5493578E-04 -6.0220696E-05 1.4689167E-05 7 7.4036494E+04 -2.4121252E-03 1.2562281E-03 -6.4555013E-04 2.9922281E-04 -1.1640622E-04 2.8416781E-05 8 3.0112568E+04 -4.6115967E-03 2.4136558E-03 -1.2422291E-03 5.7560102E-04 -2.2372988E-04 5.4568937E-05 9 1.2800233E+04 -8.6894395E-03 4.5808610E-03 -2.3609014E-03 1.0951876E-03 -4.2616066E-04 1.0404358E-04 10 5.6922318E+03 -1.5821700E-02 8.4339365E-03 -4.3602927E-03 2.0224943E-03 -7.8621350E-04 1.9174699E-04 11 2.6467159E+03 -2.6982670E-02 1.4654799E-02 -7.6082777E-03 3.5362753E-03 -1.3767729E-03 3.3619100E-04 12 1.2829167E+03 -4.0950757E-02 2.2903850E-02 -1.1985105E-02 5.5748665E-03 -2.1678754E-03 5.2861854E-04 13 6.4458296E+02 -5.0991893E-02 2.9591588E-02 -1.5626743E-02 7.2980557E-03 -2.8455016E-03 6.9526921E-04 14 3.3376271E+02 -4.5664957E-02 2.6257051E-02 -1.3819570E-02 6.4263054E-03 -2.4949821E-03 6.0740617E-04 15 1.7677153E+02 -2.3392760E-02 4.3671549E-03 -3.2094039E-04 -8.3662708E-05 4.1688398E-05 -8.2001713E-06 16 9.4809898E+01 -4.5060440E-03 -2.4439736E-02 1.9724009E-02 -1.0227251E-02 4.0847207E-03 -1.0033625E-03 17 5.1933303E+01 3.2548299E-04 -2.9792365E-02 2.5581945E-02 -1.3411383E-02 5.3187950E-03 -1.2949726E-03 18 2.8532970E+01 3.8557527E-04 -1.1515618E-02 1.8811354E-03 5.5434044E-04 -3.1223514E-04 7.0901443E-05 19 1.5323812E+01 2.6302622E-04 -1.2175295E-03 -1.8334827E-02 1.4237886E-02 -6.2102451E-03 1.5459485E-03 20 8.3196830E+00 1.5945130E-04 -2.4379936E-05 -1.1953910E-02 1.0067625E-02 -4.3733341E-03 1.0648632E-03 21 4.3889791E+00 1.0574540E-04 -1.6934423E-06 -1.7567583E-03 -5.6009204E-03 3.4749325E-03 -8.6840289E-04 22 2.3031805E+00 6.4301813E-05 1.0291996E-06 -1.6967530E-05 -8.5732872E-03 5.5943278E-03 -1.4786019E-03 23 1.1732158E+00 4.1206168E-05 1.4685138E-07 6.6624066E-07 -2.3233365E-03 9.2993489E-04 -1.8278840E-04 24 6.0152593E-01 2.4207405E-05 -4.2815342E-08 6.0959925E-06 -9.9588395E-05 -3.0905778E-03 8.9619659E-04 25 2.9708711E-01 1.5526271E-05 2.1742334E-08 2.2733444E-06 -1.7880092E-05 -2.4308657E-03 9.5206893E-04 26 1.4774966E-01 9.1172520E-06 -1.0798132E-08 1.7255593E-06 4.0866993E-06 -5.4594126E-04 2.4560845E-04 27 6.0067998E-02 7.1130185E-06 4.0605313E-09 1.1963788E-06 -1.2150691E-06 -2.7064060E-05 -7.7735083E-04 28 2.7705364E-02 8.0552807E-07 -2.0418797E-09 1.5301328E-07 3.8557765E-07 4.6673806E-07 -7.9549887E-04 29 1.2496437E-02 3.4877910E-06 4.7956822E-10 6.0387135E-07 -1.5567769E-07 -4.4121419E-07 -1.6065884E-04 2p+ 3p+ 4p+ 5p+ 6p+ 7p+ 1 5.0056466E+07 -2.4532927E-07 1.3142222E-07 -6.7333263E-08 3.0918646E-08 -1.1604069E-08 2.9835749E-09 2 1.4107896E+07 -1.2354998E-06 6.6220203E-07 -3.4392294E-07 1.5764084E-07 -5.8073120E-08 1.4775998E-08 3 4.3501780E+06 -4.7448365E-06 2.5424704E-06 -1.3085529E-06 6.0051434E-07 -2.2399296E-07 5.7394350E-08 4 1.4475158E+06 -1.6664513E-05 8.9327205E-06 -4.6265311E-06 2.1214347E-06 -7.8453719E-07 2.0005471E-07 5 5.1145888E+05 -5.4793208E-05 2.9373604E-05 -1.5148662E-05 6.9503221E-06 -2.5856452E-06 6.6154552E-07 6 1.9018287E+05 -1.6969628E-04 9.1025864E-05 -4.7092987E-05 2.1598545E-05 -8.0016873E-06 2.0424565E-06 7 7.4036494E+04 -4.9612198E-04 2.6636661E-04 -1.3754084E-04 6.3103458E-05 -2.3448543E-05 5.9954409E-06 8 3.0112568E+04 -1.3617587E-03 7.3266734E-04 -3.7913189E-04 1.7392925E-04 -6.4487638E-05 1.6467822E-05 9 1.2800233E+04 -3.4727368E-03 1.8762224E-03 -9.7067592E-04 4.4549765E-04 -1.6547561E-04 4.2298570E-05 10 5.6922318E+03 -8.0988591E-03 4.4129123E-03 -2.2904034E-03 1.0515965E-03 -3.9006965E-04 9.9627052E-05 11 2.6467159E+03 -1.6940844E-02 9.3836208E-03 -4.8860591E-03 2.2459882E-03 -8.3439727E-04 2.1327751E-04 12 1.2829167E+03 -3.0712698E-02 1.7509591E-02 -9.1938116E-03 4.2332612E-03 -1.5711410E-03 4.0130623E-04 13 6.4458296E+02 -4.5386753E-02 2.7008174E-02 -1.4330075E-02 6.6186079E-03 -2.4616013E-03 6.2932206E-04 14 3.3376271E+02 -4.9219263E-02 3.0582769E-02 -1.6452783E-02 7.6197234E-03 -2.8294645E-03 7.2253803E-04 15 1.7677153E+02 -3.2615497E-02 1.6217606E-02 -7.8705069E-03 3.5482668E-03 -1.3184518E-03 3.3765425E-04 16 9.4809898E+01 -1.0043244E-02 -1.3772137E-02 1.1902783E-02 -6.1316259E-03 2.3381488E-03 -6.0025109E-04 17 5.1933303E+01 -8.5853245E-04 -3.0125249E-02 2.6220261E-02 -1.3637339E-02 5.1691180E-03 -1.3215387E-03 18 2.8532970E+01 -4.8883614E-05 -1.6361367E-02 1.0460754E-02 -4.7344985E-03 1.7731426E-03 -4.5612621E-04 19 1.5323812E+01 2.0168295E-05 -2.6470618E-03 -1.3955398E-02 1.0434859E-02 -4.2909925E-03 1.1113232E-03 20 8.3196830E+00 -6.7682660E-06 -5.1792885E-05 -1.4607770E-02 1.2708316E-02 -5.3171632E-03 1.3693321E-03 21 4.3889791E+00 3.3820953E-06 -1.4740075E-05 -3.3172125E-03 -1.5370131E-03 1.1170735E-03 -2.9373984E-04 22 2.3031805E+00 -1.6044387E-06 6.6444322E-06 -1.0550586E-04 -8.6846493E-03 5.1425143E-03 -1.3873247E-03 23 1.1732158E+00 6.2334205E-07 -1.8069902E-06 -2.0032767E-05 -3.5119114E-03 2.2923819E-03 -6.0891605E-04 24 6.0152593E-01 -2.6132725E-07 7.9251013E-07 6.8138719E-06 -2.8898112E-04 -2.0559179E-03 6.0989230E-04 25 2.9708711E-01 9.4375157E-08 -2.9000642E-07 -2.2541524E-06 -2.9230437E-05 -2.5763513E-03 9.0558430E-04 26 1.4774966E-01 -2.9284906E-08 9.2434565E-08 7.7678787E-07 6.4483869E-06 -9.7230553E-04 5.5996466E-04 27 6.0067998E-02 6.5378395E-09 -2.2343184E-08 -2.2409471E-07 -1.6262252E-06 -8.6776670E-05 -4.9160092E-04 28 2.7705364E-02 -1.4782107E-09 6.3333137E-09 7.5965252E-08 6.4624370E-07 3.5960608E-06 -8.5601712E-04 29 1.2496437E-02 1.4853527E-11 -7.2552254E-10 -1.5727151E-08 -1.2036050E-07 -1.6965380E-06 -2.6152002E-04 3d- 4d- 5d- 1 5.7321161E+04 -3.0897854E-05 1.6905842E-05 -6.9853581E-06 2 1.3721190E+04 -1.7285494E-04 9.4926923E-05 -3.9313844E-05 3 4.5494920E+03 -7.1094673E-04 3.9082715E-04 -1.6169131E-04 4 1.8045830E+03 -2.3689385E-03 1.3105140E-03 -5.4349540E-04 5 8.0425799E+02 -6.4689076E-03 3.6032997E-03 -1.4951294E-03 6 3.8733407E+02 -1.4287785E-02 8.0850146E-03 -3.3695741E-03 7 1.9715347E+02 -2.4701055E-02 1.4169864E-02 -5.9155207E-03 8 1.0407153E+02 -3.0843066E-02 1.7443811E-02 -7.2750010E-03 9 5.6412705E+01 -2.4824369E-02 1.1533602E-02 -4.4899230E-03 10 3.0890774E+01 -1.0510585E-02 -4.6670824E-03 3.2643001E-03 11 1.6789097E+01 -1.8110866E-03 -1.5991730E-02 8.7136293E-03 12 9.1175647E+00 -6.3713361E-05 -1.2728897E-02 6.5084621E-03 13 4.8919908E+00 3.9311341E-06 -3.8845450E-03 -2.2901720E-03 14 2.5537405E+00 6.5303678E-06 -3.4759398E-04 -7.2264760E-03 15 1.3015811E+00 2.1774702E-06 -3.4484779E-06 -4.7722063E-03 16 6.3850522E-01 9.3035091E-07 1.5066041E-06 -1.1911155E-03 17 2.9233038E-01 6.6160235E-07 4.7079773E-07 -7.6906039E-05 3d+ 4d+ 5d+ 1 5.7321161E+04 -1.1507408E-05 6.2834654E-06 -2.5732046E-06 2 1.3721190E+04 -9.3802389E-05 5.1445887E-05 -2.1139010E-05 3 4.5494920E+03 -4.8119060E-04 2.6393420E-04 -1.0829387E-04 4 1.8045830E+03 -1.8313231E-03 1.0107713E-03 -4.1570625E-04 5 8.0425799E+02 -5.4663780E-03 3.0380463E-03 -1.2502907E-03 6 3.8733407E+02 -1.2844321E-02 7.2529124E-03 -2.9975524E-03 7 1.9715347E+02 -2.3254052E-02 1.3343891E-02 -5.5285349E-03 8 1.0407153E+02 -3.0319302E-02 1.7262812E-02 -7.1529594E-03 9 5.6412705E+01 -2.5657617E-02 1.2525638E-02 -4.9335378E-03 10 3.0890774E+01 -1.1559561E-02 -3.0344691E-03 2.4308428E-03 11 1.6789097E+01 -2.1911155E-03 -1.5220808E-02 8.2390278E-03 12 9.1175647E+00 -1.1299892E-04 -1.3189305E-02 6.8660054E-03 13 4.8919908E+00 -1.0288989E-05 -4.3600002E-03 -1.4823878E-03 14 2.5537405E+00 1.7066198E-06 -4.3578678E-04 -6.9202862E-03 15 1.3015811E+00 -5.7249760E-07 -7.3833621E-06 -5.0027986E-03 16 6.3850522E-01 1.4525610E-07 6.9350682E-07 -1.3613401E-03 17 2.9233038E-01 -3.1749975E-08 1.5254961E-07 -1.0258846E-04 4f- 1 1.3862901E+03 -1.1733334E-04 2 4.6783673E+02 -7.0308132E-04 3 1.9849692E+02 -2.6459309E-03 4 9.4490361E+01 -6.7333068E-03 5 4.7690347E+01 -1.2399519E-02 6 2.4930297E+01 -1.5906430E-02 7 1.3095920E+01 -1.4035364E-02 8 6.7950520E+00 -7.9029290E-03 9 3.3516116E+00 -2.2436904E-03 10 1.3821010E+00 -1.4888502E-04 11 5.6842679E-01 5.3691419E-06 4f+ 1 1.3862901E+03 -9.7396532E-05 2 4.6783673E+02 -6.3108867E-04 3 1.9849692E+02 -2.4642536E-03 4 9.4490361E+01 -6.4451320E-03 5 4.7690347E+01 -1.2071901E-02 6 2.4930297E+01 -1.5678537E-02 7 1.3095920E+01 -1.4094837E-02 8 6.7950520E+00 -8.0926930E-03 9 3.3516116E+00 -2.3660012E-03 10 1.3821010E+00 -1.6742210E-04 11 5.6842679E-01 5.8987156E-06 Spin-free Dirac-Hartree-Fock basis sets ======================================= ** Fr 223 ** Large component functions ------------------------- 1s 2s 3s 4s 5s 6s 7s 1 5.8419616E+07 3.2516198E-04 -1.3135717E-04 6.3691599E-05 -3.2615480E-05 -1.5476566E-05 6.2481945E-06 1.5439082E-06 2 1.5548955E+07 7.5658601E-04 -3.0695728E-04 1.4894198E-04 -7.6284915E-05 -3.6200616E-05 1.4615337E-05 3.6114307E-06 3 5.3205300E+06 1.4730893E-03 -6.0049775E-04 2.9160643E-04 -1.4938255E-04 -7.0890584E-05 2.8620141E-05 7.0719287E-06 4 2.0246328E+06 2.6131471E-03 -1.0731318E-03 5.2175451E-04 -2.6736670E-04 -1.2689595E-04 5.1234472E-05 1.2660112E-05 5 8.4451476E+05 4.5574439E-03 -1.8876236E-03 9.1906453E-04 -4.7111599E-04 -2.2360395E-04 9.0274386E-05 2.2306319E-05 6 3.7302410E+05 7.7920484E-03 -3.2644084E-03 1.5923440E-03 -8.1664951E-04 -3.8768860E-04 1.5654483E-04 3.8683339E-05 7 1.7306339E+05 1.3356634E-02 -5.6687574E-03 2.7711449E-03 -1.4218779E-03 -6.7499938E-04 2.7251033E-04 6.7334758E-05 8 8.3094314E+04 2.2915545E-02 -9.8838342E-03 4.8442440E-03 -2.4874186E-03 -1.1812956E-03 4.7707126E-04 1.1789247E-04 9 4.1047046E+04 3.9374875E-02 -1.7312369E-02 8.5131860E-03 -4.3743730E-03 -2.0772295E-03 8.3858962E-04 2.0720165E-04 10 2.0723446E+04 6.6961655E-02 -3.0207936E-02 1.4919243E-02 -7.6757092E-03 -3.6474633E-03 1.4734197E-03 3.6413082E-04 11 1.0662414E+04 1.1036507E-01 -5.1629559E-02 2.5670685E-02 -1.3226405E-02 -6.2844006E-03 2.5369731E-03 6.2681680E-04 12 5.5759609E+03 1.6977808E-01 -8.4044505E-02 4.2226062E-02 -2.1820741E-02 -1.0382879E-02 4.1963890E-03 1.0371951E-03 13 2.9594929E+03 2.2839255E-01 -1.2317408E-01 6.2955302E-02 -3.2660725E-02 -1.5541863E-02 6.2739263E-03 1.5499653E-03 14 1.5921114E+03 2.4040826E-01 -1.4342016E-01 7.4800329E-02 -3.9036818E-02 -1.8634876E-02 7.5431593E-03 1.8651663E-03 15 8.6664759E+02 1.6494742E-01 -7.9915122E-02 3.8837061E-02 -1.9804909E-02 -9.3434967E-03 3.7458343E-03 9.2338309E-04 16 4.7462647E+02 5.3831000E-02 1.3803078E-01 -1.0966773E-01 6.3177642E-02 3.0817779E-02 -1.2470880E-02 -3.0795873E-03 17 2.6568598E+02 4.3773346E-03 4.1181380E-01 -3.7084325E-01 2.2329329E-01 1.1074735E-01 -4.5247870E-02 -1.1204673E-02 18 1.5063979E+02 6.4161774E-04 4.1858468E-01 -4.7648846E-01 3.0536674E-01 1.5340072E-01 -6.2506131E-02 -1.5451045E-02 19 8.6313573E+01 -4.1079877E-04 1.6436124E-01 -5.7182418E-02 2.7215711E-02 1.4558118E-02 -6.4805860E-03 -1.6479093E-03 20 5.0448776E+01 2.5911612E-04 1.7070638E-02 6.2293126E-01 -6.8268055E-01 -4.0267591E-01 1.7143004E-01 4.2712132E-02 21 2.9524880E+01 -2.2187139E-04 1.5377092E-03 5.7573580E-01 -8.0346135E-01 -4.8571771E-01 2.0507821E-01 5.0881456E-02 22 1.7066560E+01 1.6063787E-04 -6.6224605E-04 1.5098921E-01 1.3604065E-01 1.1758251E-01 -4.7139284E-02 -1.1451445E-02 23 9.8886758E+00 -1.1035338E-04 2.3567659E-04 8.2917895E-03 8.9368638E-01 9.3716731E-01 -4.6858934E-01 -1.1950449E-01 24 5.7493667E+00 8.0982561E-05 -2.4056495E-04 1.6781149E-03 4.5390445E-01 7.0670162E-01 -3.6168696E-01 -9.1510004E-02 25 3.4099608E+00 -5.0790068E-05 1.4792669E-04 -6.1819873E-04 5.5446938E-02 -4.7817141E-01 3.1627260E-01 8.1505719E-02 26 1.8946974E+00 2.6567848E-05 -6.4520796E-05 9.7431151E-05 5.2202421E-03 -8.9419176E-01 7.8760244E-01 2.2111816E-01 27 1.0468141E+00 -1.3738382E-05 3.6998337E-05 -1.1436467E-04 -5.0698343E-04 -3.0010358E-01 3.5003389E-01 1.0052516E-01 28 5.3357465E-01 6.4512623E-06 -1.7238057E-05 4.7074142E-05 3.2785788E-04 -1.6391169E-02 -5.3967737E-01 -1.9176881E-01 29 2.7244306E-01 -3.0438671E-06 7.7281646E-06 -1.6424694E-05 -2.0679912E-04 -5.6051070E-04 -7.1266427E-01 -2.8926503E-01 30 1.3595219E-01 1.1216468E-06 -2.9819838E-06 7.9006151E-06 5.0883833E-05 -4.9814699E-05 -2.1722898E-01 -2.3975011E-01 31 3.9507129E-02 -4.6580245E-07 1.2141422E-06 -2.9171811E-06 -2.5134847E-05 -2.9712391E-05 -4.9949378E-03 3.8243266E-01 32 2.1464112E-02 3.5632355E-07 -9.2803707E-07 2.2208215E-06 1.9341937E-05 2.7869615E-05 1.2305060E-03 6.2081365E-01 33 1.1133000E-02 -1.0440885E-07 2.7270450E-07 -6.6036263E-07 -5.5297796E-06 -5.6264413E-06 -3.6797984E-04 2.0013798E-01 2p 3p 4p 5p 6p 7p 1 4.9121619E+07 8.3331608E-06 -4.3566122E-06 2.2313849E-06 -1.0118516E-06 3.5760809E-07 -6.2437101E-08 2 1.3649671E+07 2.8355707E-05 -1.4826492E-05 7.5942355E-06 -3.4436310E-06 1.2169349E-06 -2.1247869E-07 3 4.1665499E+06 6.7984668E-05 -3.5562431E-05 1.8216916E-05 -8.2610293E-06 2.9196784E-06 -5.0976289E-07 4 1.3752589E+06 1.5013194E-04 -7.8595440E-05 4.0269202E-05 -1.8261268E-05 6.4531269E-06 -1.1267411E-06 5 4.8282216E+05 3.2272180E-04 -1.6918839E-04 8.6713053E-05 -3.9328785E-05 1.3901138E-05 -2.4270331E-06 6 1.7863235E+05 6.9831576E-04 -3.6704858E-04 1.8824746E-04 -8.5384024E-05 3.0171297E-05 -5.2682022E-06 7 6.9279500E+04 1.5629437E-03 -8.2500634E-04 4.2353270E-04 -1.9218031E-04 6.7942052E-05 -1.1861761E-05 8 2.8109691E+04 3.6958908E-03 -1.9636039E-03 1.0097176E-03 -4.5824884E-04 1.6192171E-04 -2.8274722E-05 9 1.1936233E+04 9.2304424E-03 -4.9477694E-03 2.5495035E-03 -1.1579718E-03 4.0951625E-04 -7.1493515E-05 10 5.3083270E+03 2.3637632E-02 -1.2831841E-02 6.6333308E-03 -3.0141935E-03 1.0651709E-03 -1.8601170E-04 11 2.4700376E+03 5.8817856E-02 -3.2557337E-02 1.6910379E-02 -7.6960499E-03 2.7231044E-03 -4.7539416E-04 12 1.1984419E+03 1.3254652E-01 -7.5647188E-02 3.9601042E-02 -1.8049156E-02 6.3808958E-03 -1.1144147E-03 13 6.0269216E+02 2.4702703E-01 -1.4701632E-01 7.7823132E-02 -3.5590706E-02 1.2608904E-02 -2.2011628E-03 14 3.1235724E+02 3.3500969E-01 -2.0482077E-01 1.0921196E-01 -4.9977140E-02 1.7665954E-02 -3.0864163E-03 15 1.6551234E+02 2.6933304E-01 -1.0524140E-01 4.3908454E-02 -1.8704099E-02 6.5901004E-03 -1.1457804E-03 16 8.8969435E+01 9.5656012E-02 2.4088990E-01 -1.9950544E-01 1.0119626E-01 -3.6679888E-02 6.4065990E-03 17 4.9085595E+01 8.8143596E-03 5.1274308E-01 -4.4517035E-01 2.2907505E-01 -8.2576265E-02 1.4461675E-02 18 2.7218820E+01 7.1999201E-04 3.2359988E-01 -1.6226995E-01 6.1425706E-02 -2.1340111E-02 3.6786348E-03 19 1.4839688E+01 -4.3055925E-04 6.3308037E-02 4.7491440E-01 -3.4952242E-01 1.3660822E-01 -2.3962624E-02 20 8.1668273E+00 1.5566431E-04 2.1584846E-03 5.8221562E-01 -5.0006042E-01 1.9828037E-01 -3.5062572E-02 21 4.3996225E+00 -1.0915120E-04 4.4956481E-04 1.7557096E-01 1.0685410E-01 -6.8835881E-02 1.2710479E-02 22 2.3331552E+00 6.8072889E-05 -2.6852873E-04 9.8876131E-03 6.7113603E-01 -3.7265372E-01 6.7101278E-02 23 1.2039599E+00 -2.8800536E-05 4.5908508E-05 1.2172814E-03 4.1420344E-01 -2.4447839E-01 4.5156462E-02 24 5.6361607E-01 1.4317885E-05 -3.1060747E-05 -3.6904961E-04 5.4650720E-02 3.2766801E-01 -6.7658769E-02 25 2.6257559E-01 -6.7703625E-06 1.4472089E-05 1.2497701E-04 8.6663219E-06 5.9981677E-01 -1.2712691E-01 26 1.1812287E-01 2.6218384E-06 -5.3885297E-06 -5.3673251E-05 5.5049878E-04 2.9039058E-01 -1.2648466E-01 27 3.3681241E-02 -1.0662409E-06 2.1400701E-06 2.2633848E-05 -2.0318407E-04 2.0701330E-02 2.8553184E-01 28 1.5239100E-02 7.5659281E-07 -1.5312320E-06 -1.5664008E-05 1.2465988E-04 -6.2609272E-03 6.4787999E-01 29 7.2348791E-03 -2.7070653E-07 5.4642934E-07 5.6353584E-06 -4.5063586E-05 2.0835293E-03 1.8039261E-01 3d 4d 5d 1 5.1818254E+04 3.6667605E-05 -1.9917396E-05 7.9994929E-06 2 1.2461148E+04 2.4306956E-04 -1.3256481E-04 5.3356636E-05 3 4.1524769E+03 1.3673733E-03 -7.4704593E-04 3.0034672E-04 4 1.6543655E+03 6.5340907E-03 -3.5956599E-03 1.4498998E-03 5 7.3982103E+02 2.5615964E-02 -1.4194344E-02 5.7242031E-03 6 3.5713561E+02 7.9887779E-02 -4.5024457E-02 1.8248343E-02 7 1.8208064E+02 1.9058351E-01 -1.0886339E-01 4.4170140E-02 8 9.6157663E+01 3.2285652E-01 -1.8179368E-01 7.3751720E-02 9 5.2126487E+01 3.4570083E-01 -1.5753822E-01 5.9245785E-02 10 2.8492045E+01 1.9232422E-01 9.7849378E-02 -6.3704684E-02 11 1.5416056E+01 4.3585891E-02 4.1395897E-01 -2.1813593E-01 12 8.3339161E+00 2.5600419E-03 4.3315677E-01 -2.1240446E-01 13 4.4381845E+00 3.7703605E-04 1.7303641E-01 1.1724121E-01 14 2.2959872E+00 -8.9236597E-05 2.0033421E-02 4.6624157E-01 15 1.1558388E+00 3.9908919E-05 4.9932973E-04 4.3035995E-01 16 5.5549041E-01 -1.3545192E-05 -1.4053343E-04 1.5530524E-01 17 2.4440860E-01 4.6178240E-06 -1.1126098E-05 1.6022260E-02 4f 1 1.3194878E+03 3.2021167E-04 2 4.4583551E+02 3.0828289E-03 3 1.8925708E+02 1.7459596E-02 4 9.0065906E+01 6.3892801E-02 5 4.5424860E+01 1.6477546E-01 6 2.3711491E+01 2.9095663E-01 7 1.2424613E+01 3.5519459E-01 8 6.4206194E+00 2.7962335E-01 9 3.1440747E+00 1.1508202E-01 10 1.2778094E+00 1.2391396E-02 11 4.9956478E-01 -6.5897170E-04 Pseudo-large component functions -------------------------------- 1s 2s 3s 4s 5s 6s 7s 1 5.8419616E+07 7.5377405E-06 -3.0361820E-06 1.4714506E-06 -7.5340848E-07 -3.5748465E-07 1.4431804E-07 3.5660092E-08 2 1.5548955E+07 4.8900640E-05 -1.9700054E-05 9.5475220E-06 -4.8886479E-06 -2.3197614E-06 9.3657557E-07 2.3142862E-07 3 5.3205300E+06 1.5592578E-04 -6.2862397E-05 3.0470351E-05 -1.5601816E-05 -7.4028131E-06 2.9884646E-06 7.3842377E-07 4 2.0246328E+06 4.4805484E-04 -1.8079871E-04 8.7647207E-05 -4.4882106E-05 -2.1298649E-05 8.5995392E-06 2.1249912E-06 5 8.4451476E+05 1.1171713E-03 -4.5145468E-04 2.1891994E-04 -1.1210372E-04 -5.3190316E-05 2.1471308E-05 5.3052617E-06 6 3.7302410E+05 2.6666758E-03 -1.0800070E-03 5.2390042E-04 -2.6832764E-04 -1.2734693E-04 5.1422128E-05 1.2707038E-05 7 1.7306339E+05 5.9546459E-03 -2.4204057E-03 1.1749770E-03 -6.0182373E-04 -2.8555028E-04 1.1525913E-04 2.8478092E-05 8 8.3094314E+04 1.2874572E-02 -5.2652742E-03 2.5587073E-03 -1.3111382E-03 -6.2238148E-04 2.5134743E-04 6.2113444E-05 9 4.1047046E+04 2.6547103E-02 -1.0970412E-02 5.3422527E-03 -2.7383710E-03 -1.2994446E-03 5.2446957E-04 1.2958101E-04 10 2.0723446E+04 5.2380343E-02 -2.2043058E-02 1.0770412E-02 -5.5268551E-03 -2.6247394E-03 1.0602202E-03 2.6201827E-04 11 1.0662414E+04 9.6546475E-02 -4.1925640E-02 2.0614171E-02 -1.0591891E-02 -5.0287751E-03 2.0296130E-03 5.0143843E-04 12 5.5759609E+03 1.6155699E-01 -7.4056725E-02 3.6798192E-02 -1.8965622E-02 -9.0186104E-03 3.6446842E-03 9.0083470E-04 13 2.9594929E+03 2.3051963E-01 -1.1523285E-01 5.8306899E-02 -3.0175642E-02 -1.4349761E-02 5.7916246E-03 1.4307642E-03 14 1.5921114E+03 2.5267791E-01 -1.4059328E-01 7.2818978E-02 -3.7945229E-02 -1.8107334E-02 7.3291596E-03 1.8122417E-03 15 8.6664759E+02 1.7765885E-01 -8.3311058E-02 4.1153942E-02 -2.1102386E-02 -9.9736796E-03 4.0017955E-03 9.8669954E-04 16 4.7462647E+02 5.8933188E-02 1.3225711E-01 -1.0346647E-01 5.9393092E-02 2.8939488E-02 -1.1705413E-02 -2.8902319E-03 17 2.6568598E+02 4.7222774E-03 4.1141024E-01 -3.6543384E-01 2.1943451E-01 1.0876580E-01 -4.4433787E-02 -1.1003011E-02 18 1.5063979E+02 7.9674785E-04 4.2278364E-01 -4.7625680E-01 3.0473429E-01 1.5301651E-01 -6.2343397E-02 -1.5410634E-02 19 8.6313573E+01 -5.5800018E-04 1.6683653E-01 -6.0484110E-02 3.0290696E-02 1.6268454E-02 -7.1955580E-03 -1.8253375E-03 20 5.0448776E+01 4.0103162E-04 1.7307419E-02 6.2250982E-01 -6.7993846E-01 -4.0078039E-01 1.7060352E-01 4.2505748E-02 21 2.9524880E+01 -3.5468151E-04 1.6004016E-03 5.7752452E-01 -8.0406930E-01 -4.8599210E-01 2.0518714E-01 5.0908419E-02 22 1.7066560E+01 2.8258231E-04 -7.1304238E-04 1.5152618E-01 1.3505195E-01 1.1659302E-01 -4.6674496E-02 -1.1334379E-02 23 9.8886758E+00 -2.2237069E-04 2.8006648E-04 8.3620600E-03 8.9389954E-01 9.3663957E-01 -4.6825274E-01 -1.1941647E-01 24 5.7493667E+00 1.8201015E-04 -2.8066024E-04 1.6479106E-03 4.5440748E-01 7.0703435E-01 -3.6186338E-01 -9.1555627E-02 25 3.4099608E+00 -1.3090680E-04 1.7974948E-04 -5.9320473E-04 5.5441242E-02 -4.7808184E-01 3.1613643E-01 8.1467803E-02 26 1.8946974E+00 8.2767291E-05 -8.6683958E-05 7.9158869E-05 5.2670004E-03 -8.9426501E-01 7.8754935E-01 2.2109900E-01 27 1.0468141E+00 -5.1978522E-05 5.2080989E-05 -1.0188708E-04 -5.3623895E-04 -3.0019469E-01 3.5008664E-01 1.0054197E-01 28 5.3357465E-01 3.1499680E-05 -2.7110042E-05 3.8798289E-05 3.4679283E-04 -1.6375671E-02 -5.3968067E-01 -1.9176463E-01 29 2.7244306E-01 -1.9746701E-05 1.4301901E-05 -1.0828924E-05 -2.1939600E-04 -5.7291434E-04 -7.1267143E-01 -2.8926283E-01 30 1.3595219E-01 9.8519947E-06 -6.4165107E-06 4.9530521E-06 5.7444573E-05 -4.3378495E-05 -2.1723818E-01 -2.3975199E-01 31 3.9507129E-02 -7.3563301E-06 3.9227864E-06 -5.6485935E-07 -3.0313425E-05 -3.4800296E-05 -4.9922974E-03 3.8243166E-01 32 2.1464112E-02 7.7846263E-06 -3.8472835E-06 -3.2434312E-07 2.4926001E-05 3.3359361E-05 1.2275640E-03 6.2081444E-01 33 1.1133000E-02 -3.3945192E-06 1.5654131E-06 4.7040562E-07 -8.0037549E-06 -8.0602959E-06 -3.6666522E-04 2.0013848E-01 2p 3p 4p 5p 6p 7p 1 4.9121619E+07 5.8661335E-08 -3.0699979E-08 1.5725885E-08 -7.1335785E-09 2.5233834E-09 -4.4045350E-10 2 1.3649671E+07 4.0425988E-07 -2.1177529E-07 1.0853426E-07 -4.9207896E-08 1.7375980E-08 -3.0346327E-09 3 4.1665499E+06 1.8841209E-06 -9.8808518E-07 5.0639628E-07 -2.2973579E-07 8.1263059E-08 -1.4184611E-08 4 1.3752589E+06 7.7888318E-06 -4.0929569E-06 2.0992065E-06 -9.5190739E-07 3.3612580E-07 -5.8703887E-08 5 4.8282216E+05 3.0665645E-05 -1.6148783E-05 8.2844953E-06 -3.7593303E-06 1.3298375E-06 -2.3212574E-07 6 1.7863235E+05 1.1781114E-04 -6.2223989E-05 3.1952025E-05 -1.4493566E-05 5.1184027E-06 -8.9390786E-07 7 6.9279500E+04 4.4283420E-04 -2.3460144E-04 1.2052772E-04 -5.4709967E-05 1.9352262E-05 -3.3781190E-06 8 2.8109691E+04 1.6111796E-03 -8.5714173E-04 4.4089997E-04 -2.0008797E-04 7.0676606E-05 -1.2342918E-05 9 1.1936233E+04 5.5499644E-03 -2.9695600E-03 1.5293589E-03 -6.9459241E-04 2.4569277E-04 -4.2889977E-05 10 5.3083270E+03 1.7631358E-02 -9.5296844E-03 4.9211134E-03 -2.2354826E-03 7.8983720E-04 -1.3793547E-04 11 2.4700376E+03 5.0099420E-02 -2.7567737E-02 1.4297841E-02 -6.5049134E-03 2.3016760E-03 -4.0180937E-04 12 1.1984419E+03 1.2197703E-01 -6.9191464E-02 3.6169939E-02 -1.6479478E-02 5.8253050E-03 -1.0173925E-03 13 6.0269216E+02 2.3733422E-01 -1.4051401E-01 7.4291579E-02 -3.3965950E-02 1.2032992E-02 -2.1005941E-03 14 3.1235724E+02 3.2929463E-01 -2.0081094E-01 1.0705031E-01 -4.8986894E-02 1.7315576E-02 -3.0252220E-03 15 1.6551234E+02 2.6673147E-01 -1.0509753E-01 4.4270326E-02 -1.8924528E-02 6.6715725E-03 -1.1600752E-03 16 8.8969435E+01 9.2860274E-02 2.3949290E-01 -1.9764370E-01 1.0017956E-01 -3.6307508E-02 6.3414292E-03 17 4.9085595E+01 5.7038605E-03 5.1303056E-01 -4.4443728E-01 2.2862213E-01 -8.2408833E-02 1.4432306E-02 18 2.7218820E+01 -2.1819382E-03 3.2453343E-01 -1.6321856E-01 6.2036544E-02 -2.1569636E-02 3.7189430E-03 19 1.4839688E+01 -2.9138646E-03 6.3562846E-02 4.7416677E-01 -3.4885459E-01 1.3633854E-01 -2.3915087E-02 20 8.1668273E+00 -1.9965512E-03 2.2432881E-03 5.8208498E-01 -4.9987826E-01 1.9820896E-01 -3.5049981E-02 21 4.3996225E+00 -2.0320459E-03 4.9604346E-04 1.7537288E-01 1.0676465E-01 -6.8763635E-02 1.2697208E-02 22 2.3331552E+00 -1.5992528E-03 -2.1047905E-04 9.5926566E-03 6.7120378E-01 -3.7263786E-01 6.7097720E-02 23 1.2039599E+00 -1.5742468E-03 8.6026937E-05 9.5135089E-04 4.1429078E-01 -2.4451007E-01 4.5162192E-02 24 5.6361607E-01 -1.4593218E-03 1.6903301E-05 -6.3235394E-04 5.4704904E-02 3.2762598E-01 -6.7650449E-02 25 2.6257559E-01 -1.0554102E-03 4.2913753E-05 -5.7104590E-05 3.5466308E-05 5.9980077E-01 -1.2712293E-01 26 1.1812287E-01 -1.2542942E-03 3.3728251E-05 -2.7644000E-04 5.8861340E-04 2.9036827E-01 -1.2648030E-01 27 3.3681241E-02 -1.3291194E-03 4.0533085E-05 -2.1016716E-04 -1.6635429E-04 2.0676627E-02 2.8553455E-01 28 1.5239100E-02 1.2248393E-04 -3.8837414E-06 4.6762818E-06 1.2261412E-04 -6.2595908E-03 6.4788010E-01 29 7.2348791E-03 -1.2117215E-03 3.5966731E-05 -2.0707976E-04 -1.0995137E-05 2.0604851E-03 1.8039585E-01 3d 4d 5d 1 5.1818254E+04 9.0959515E-06 -4.9392269E-06 1.9809220E-06 2 1.2461148E+04 1.2392044E-04 -6.7637590E-05 2.7244403E-05 3 4.1524769E+03 9.8749549E-04 -5.3894692E-04 2.1658201E-04 4 1.6543655E+03 5.5734261E-03 -3.0634605E-03 1.2351191E-03 5 7.3982103E+02 2.3677453E-02 -1.3101941E-02 5.2819235E-03 6 3.5713561E+02 7.6849417E-02 -4.3256763E-02 1.7527627E-02 7 1.8208064E+02 1.8709229E-01 -1.0676961E-01 4.3312431E-02 8 9.6157663E+01 3.2017922E-01 -1.8021398E-01 7.3106901E-02 9 5.2126487E+01 3.4457218E-01 -1.5720120E-01 5.9158319E-02 10 2.8492045E+01 1.9188795E-01 9.7297074E-02 -6.3366419E-02 11 1.5416056E+01 4.3185345E-02 4.1349635E-01 -2.1783746E-01 12 8.3339161E+00 2.2512983E-03 4.3305665E-01 -2.1235935E-01 13 4.4381845E+00 1.6748567E-04 1.7300015E-01 1.1712063E-01 14 2.2959872E+00 -2.1665563E-04 1.9970190E-02 4.6616997E-01 15 1.1558388E+00 -4.8414987E-05 4.5305830E-04 4.3033636E-01 16 5.5549041E-01 -5.6277455E-05 -1.6525652E-04 1.5529726E-01 17 2.4440860E-01 -4.1574349E-05 -3.5960183E-05 1.6004866E-02 4f 1 1.3194878E+03 2.7059542E-04 2 4.4583551E+02 2.8941091E-03 3 1.8925708E+02 1.6976746E-02 4 9.0065906E+01 6.3080602E-02 5 4.5424860E+01 1.6380417E-01 6 2.3711491E+01 2.9018577E-01 7 1.2424613E+01 3.5476797E-01 8 6.4206194E+00 2.7947840E-01 9 3.1440747E+00 1.1502451E-01 10 1.2778094E+00 1.2365169E-02 11 4.9956478E-01 -6.6919599E-04 Foldy-Wouthuysen functions -------------------------- 1s 2s 3s 4s 5s 6s 7s 1 5.8419616E+07 8.2838060E-04 -3.3985682E-04 1.6505536E-04 -8.4568456E-05 -4.0126860E-05 1.6200448E-05 4.0028652E-06 2 1.5548955E+07 1.7887431E-03 -7.3519319E-04 3.5717989E-04 -1.8305162E-04 -8.6875361E-05 3.5081409E-05 8.6685668E-06 3 5.3205300E+06 3.1737243E-03 -1.3070250E-03 6.3510075E-04 -3.2541406E-04 -1.5438841E-04 6.2322328E-05 1.5398157E-05 4 2.0246328E+06 5.1922164E-03 -2.1472526E-03 1.0442868E-03 -5.3540389E-04 -2.5416924E-04 1.0265830E-04 2.5368389E-05 5 8.4451476E+05 8.2784516E-03 -3.4414042E-03 1.6746124E-03 -8.5817554E-04 -4.0709523E-04 1.6429604E-04 4.0590405E-05 6 3.7302410E+05 1.2945429E-02 -5.4267983E-03 2.6456898E-03 -1.3574165E-03 -6.4468346E-04 2.6046086E-04 6.4369631E-05 7 1.7306339E+05 2.0259103E-02 -8.5830025E-03 4.1905301E-03 -2.1486436E-03 -1.0192078E-03 4.1121978E-04 1.0158688E-04 8 8.3094314E+04 3.1837399E-02 -1.3692607E-02 6.7078187E-03 -3.4456048E-03 -1.6373652E-03 6.6172210E-04 1.6355408E-04 9 4.1047046E+04 5.0492168E-02 -2.2134257E-02 1.0876511E-02 -5.5848103E-03 -2.6502320E-03 1.0692194E-03 2.6413048E-04 10 2.0723446E+04 8.0195043E-02 -3.6115425E-02 1.7845525E-02 -9.1850352E-03 -4.3671592E-03 1.7652122E-03 4.3632222E-04 11 1.0662414E+04 1.2512215E-01 -5.8544938E-02 2.9122898E-02 -1.4996938E-02 -7.1217414E-03 2.8733348E-03 7.0979590E-04 12 5.5759609E+03 1.8441576E-01 -9.1589665E-02 4.6099202E-02 -2.3839707E-02 -1.1350339E-02 4.5897098E-03 1.1345878E-03 13 2.9594929E+03 2.3972938E-01 -1.3023637E-01 6.6725521E-02 -3.4623262E-02 -1.6472067E-02 6.6467582E-03 1.6418671E-03 14 1.5921114E+03 2.4486767E-01 -1.4786964E-01 7.7432443E-02 -4.0458549E-02 -1.9327387E-02 7.8276863E-03 1.9358341E-03 15 8.6664759E+02 1.6290348E-01 -7.9312607E-02 3.8777126E-02 -1.9794804E-02 -9.3328324E-03 3.7366646E-03 9.2074618E-04 16 4.7462647E+02 5.0757956E-02 1.4340625E-01 -1.1310802E-01 6.5079069E-02 3.1728791E-02 -1.2834761E-02 -3.1690764E-03 17 2.6568598E+02 3.2595329E-03 4.1690907E-01 -3.7584998E-01 2.2640626E-01 1.1230987E-01 -4.5892494E-02 -1.1364755E-02 18 1.5063979E+02 3.8042055E-04 4.1895836E-01 -4.7836600E-01 3.0687709E-01 1.5419680E-01 -6.2828887E-02 -1.5530460E-02 19 8.6313573E+01 -5.0348906E-04 1.6304230E-01 -5.4902696E-02 2.5863897E-02 1.3915203E-02 -6.2281782E-03 -1.5861983E-03 20 5.0448776E+01 2.2365663E-04 1.6590947E-02 6.2548977E-01 -6.8559877E-01 -4.0443472E-01 1.7218475E-01 4.2900631E-02 21 2.9524880E+01 -2.3788174E-04 1.4666949E-03 5.7550646E-01 -8.0370853E-01 -4.8592846E-01 2.0516785E-01 5.0903299E-02 22 1.7066560E+01 1.5291031E-04 -6.9306177E-04 1.5061690E-01 1.3715563E-01 1.1826828E-01 -4.7416127E-02 -1.1519279E-02 23 9.8886758E+00 -1.1349684E-04 2.2894713E-04 8.1669325E-03 8.9422005E-01 9.3784493E-01 -4.6895430E-01 -1.1959868E-01 24 5.7493667E+00 7.9171359E-05 -2.4719665E-04 1.6916471E-03 4.5368370E-01 7.0657371E-01 -3.6162852E-01 -9.1494693E-02 25 3.4099608E+00 -5.1552182E-05 1.4620130E-04 -6.4054742E-04 5.5403927E-02 -4.7843937E-01 3.1642740E-01 8.1544880E-02 26 1.8946974E+00 2.6034870E-05 -6.5870292E-05 1.0479847E-04 5.2022522E-03 -8.9423080E-01 7.8766631E-01 2.2113829E-01 27 1.0468141E+00 -1.3978463E-05 3.6698129E-05 -1.1939831E-04 -5.0602739E-04 -3.0006672E-01 3.5000082E-01 1.0051565E-01 28 5.3357465E-01 6.2987287E-06 -1.7509971E-05 4.9258356E-05 3.2413443E-04 -1.6386690E-02 -5.3970403E-01 -1.9177741E-01 29 2.7244306E-01 -3.0999682E-06 7.6806979E-06 -1.7897085E-05 -2.0513890E-04 -5.5755091E-04 -7.1266609E-01 -2.8926687E-01 30 1.3595219E-01 1.0873127E-06 -3.0122264E-06 8.2163379E-06 5.0132446E-05 -5.0409297E-05 -2.1722519E-01 -2.3974930E-01 31 3.9507129E-02 -4.7261332E-07 1.1821393E-06 -3.0487422E-06 -2.5018969E-05 -2.9524755E-05 -4.9949821E-03 3.8243408E-01 32 2.1464112E-02 3.5216110E-07 -9.3643474E-07 2.3048131E-06 1.9231981E-05 2.7758064E-05 1.2311602E-03 6.2081382E-01 33 1.1133000E-02 -1.0728961E-07 2.6881946E-07 -7.0036386E-07 -5.4916490E-06 -5.5615510E-06 -3.6815667E-04 2.0013773E-01 2p 3p 4p 5p 6p 7p 1 4.9121619E+07 6.7037483E-06 -3.4682123E-06 1.7712740E-06 -8.0181470E-07 2.8354643E-07 -4.9482373E-08 2 1.3649671E+07 2.5658206E-05 -1.3323151E-05 6.8276075E-06 -3.0986997E-06 1.0943901E-06 -1.9115882E-07 3 4.1665499E+06 6.4475560E-05 -3.3490551E-05 1.7119270E-05 -7.7524233E-06 2.7413593E-06 -4.7843291E-07 4 1.3752589E+06 1.5029439E-04 -7.8337178E-05 4.0175141E-05 -1.8236198E-05 6.4407764E-06 -1.1250171E-06 5 4.8282216E+05 3.4053615E-04 -1.7784628E-04 9.1025771E-05 -4.1238581E-05 1.4583146E-05 -2.5451928E-06 6 1.7863235E+05 7.7056517E-04 -4.0447199E-04 2.0769236E-04 -9.4289956E-05 3.3305036E-05 -5.8171732E-06 7 6.9279500E+04 1.7662978E-03 -9.3132051E-04 4.7780498E-04 -2.1664614E-04 7.6617078E-05 -1.3372940E-05 8 2.8109691E+04 4.1735698E-03 -2.2172052E-03 1.1411402E-03 -5.1822326E-04 1.8307244E-04 -3.1974029E-05 9 1.1936233E+04 1.0209248E-02 -5.4704253E-03 2.8180769E-03 -1.2794575E-03 4.5255672E-04 -7.8997537E-05 10 5.3083270E+03 2.5458372E-02 -1.3820209E-02 7.1471402E-03 -3.2487052E-03 1.1479475E-03 -2.0048378E-04 11 2.4700376E+03 6.1862830E-02 -3.4251780E-02 1.7791312E-02 -8.0958857E-03 2.8647652E-03 -5.0009874E-04 12 1.1984419E+03 1.3688888E-01 -7.8195432E-02 4.0950577E-02 -1.8667269E-02 6.5992244E-03 -1.1525851E-03 13 6.0269216E+02 2.5164927E-01 -1.4998647E-01 7.9433246E-02 -3.6330060E-02 1.2871587E-02 -2.2469718E-03 14 3.1235724E+02 3.3781126E-01 -2.0694590E-01 1.1042751E-01 -5.0544204E-02 1.7866447E-02 -3.1215220E-03 15 1.6551234E+02 2.6941580E-01 -1.0496414E-01 4.3706133E-02 -1.8606458E-02 6.5566419E-03 -1.1398299E-03 16 8.8969435E+01 9.5014807E-02 2.4275177E-01 -2.0088246E-01 1.0188714E-01 -3.6930839E-02 6.4503660E-03 17 4.9085595E+01 8.6286107E-03 5.1376911E-01 -4.4625693E-01 2.2966224E-01 -8.2788279E-02 1.4498917E-02 18 2.7218820E+01 7.0176510E-04 3.2336440E-01 -1.6185020E-01 6.1179136E-02 -2.1251915E-02 3.6630486E-03 19 1.4839688E+01 -4.3560650E-04 6.3162726E-02 4.7549356E-01 -3.4992534E-01 1.3676733E-01 -2.3990485E-02 20 8.1668273E+00 1.5472957E-04 2.1240531E-03 5.8229457E-01 -5.0019297E-01 1.9833625E-01 -3.5072590E-02 21 4.3996225E+00 -1.0967113E-04 4.5460851E-04 1.7548026E-01 1.0702494E-01 -6.8910842E-02 1.2723878E-02 22 2.3331552E+00 6.7790255E-05 -2.7300638E-04 9.8806483E-03 6.7120397E-01 -3.7269748E-01 6.7109241E-02 23 1.2039599E+00 -2.8752487E-05 4.7457020E-05 1.2134051E-03 4.1419117E-01 -2.4447296E-01 4.5155592E-02 24 5.6361607E-01 1.4283587E-05 -3.1934911E-05 -3.6808834E-04 5.4642972E-02 3.2768522E-01 -6.7662087E-02 25 2.6257559E-01 -6.7646952E-06 1.4858591E-05 1.2442899E-04 8.3976287E-06 5.9982002E-01 -1.2712787E-01 26 1.1812287E-01 2.6157722E-06 -5.5412266E-06 -5.3534066E-05 5.5046400E-04 2.9038930E-01 -1.2648479E-01 27 3.3681241E-02 -1.0644877E-06 2.2035889E-06 2.2552260E-05 -2.0318106E-04 2.0701127E-02 2.8553256E-01 28 1.5239100E-02 7.5540013E-07 -1.5794915E-06 -1.5599174E-05 1.2465104E-04 -6.2610367E-03 6.4788025E-01 29 7.2348791E-03 -2.7029936E-07 5.6364509E-07 5.6106375E-06 -4.5057532E-05 2.0835700E-03 1.8039249E-01 3d 4d 5d 1 5.1818254E+04 4.1709459E-05 -2.2645258E-05 9.0931561E-06 2 1.2461148E+04 2.6878044E-04 -1.4645683E-04 5.8940767E-05 3 4.1524769E+03 1.4591028E-03 -7.9692016E-04 3.2037782E-04 4 1.6543655E+03 6.8013317E-03 -3.7417314E-03 1.5087393E-03 5 7.3982103E+02 2.6257052E-02 -1.4549394E-02 5.8674025E-03 6 3.5713561E+02 8.1073502E-02 -4.5700441E-02 1.8523181E-02 7 1.8208064E+02 1.9218360E-01 -1.0980705E-01 4.4555456E-02 8 9.6157663E+01 3.2421005E-01 -1.8260835E-01 7.4089442E-02 9 5.2126487E+01 3.4621263E-01 -1.5775885E-01 5.9323800E-02 10 2.8492045E+01 1.9225339E-01 9.8256435E-02 -6.3912855E-02 11 1.5416056E+01 4.3519175E-02 4.1432682E-01 -2.1833242E-01 12 8.3339161E+00 2.5477260E-03 4.3324028E-01 -2.1245234E-01 13 4.4381845E+00 3.7767442E-04 1.7300171E-01 1.1732385E-01 14 2.2959872E+00 -9.0051837E-05 2.0025767E-02 4.6629611E-01 15 1.1558388E+00 4.0211967E-05 4.9784736E-04 4.3036765E-01 16 5.5549041E-01 -1.3678432E-05 -1.4026297E-04 1.5530151E-01 17 2.4440860E-01 4.6498965E-06 -1.1218447E-05 1.6021715E-02 4f 1 1.3194878E+03 3.3278705E-04 2 4.4583551E+02 3.1387893E-03 3 1.8925708E+02 1.7629645E-02 4 9.0065906E+01 6.4222887E-02 5 4.5424860E+01 1.6521907E-01 6 2.3711491E+01 2.9132890E-01 7 1.2424613E+01 3.5538866E-01 8 6.4206194E+00 2.7966772E-01 9 3.1440747E+00 1.1507790E-01 10 1.2778094E+00 1.2389432E-02 11 4.9956478E-01 -6.5906410E-04 ** Ra 226 ** Large component functions ------------------------- 1s 2s 3s 4s 5s 6s 7s 1 5.8056557E+07 3.4738109E-04 -1.4105473E-04 6.8489565E-05 3.5173110E-05 -1.6857619E-05 -7.0863512E-06 2.0695976E-06 2 1.5452470E+07 8.0677771E-04 -3.2902876E-04 1.5987795E-04 8.2121563E-05 -3.9361482E-05 -1.6546745E-05 4.8326353E-06 3 5.2870525E+06 1.5667421E-03 -6.4206875E-04 3.1224112E-04 1.6041369E-04 -7.6889132E-05 -3.2321701E-05 9.4396016E-06 4 2.0115992E+06 2.7705431E-03 -1.1439697E-03 5.5701055E-04 2.8625807E-04 -1.3722683E-04 -5.7690501E-05 1.6849461E-05 5 8.3934865E+05 4.8114236E-03 -2.0040242E-03 9.7719605E-04 5.0236385E-04 -2.4082645E-04 -1.0123563E-04 2.9565322E-05 6 3.7128116E+05 8.1689944E-03 -3.4422456E-03 1.6816747E-03 8.6497658E-04 -4.1476380E-04 -1.7438681E-04 5.0935226E-05 7 1.7294447E+05 1.3849186E-02 -5.9132352E-03 2.8951936E-03 1.4898496E-03 -7.1435239E-04 -3.0028196E-04 8.7690715E-05 8 8.3649795E+04 2.3395368E-02 -1.0152660E-02 4.9839981E-03 2.5667117E-03 -1.2312681E-03 -5.1778511E-04 1.5125122E-04 9 4.1767358E+04 3.9493456E-02 -1.7471042E-02 8.6049633E-03 4.4343897E-03 -2.1267456E-03 -8.9392246E-04 2.6102210E-04 10 2.1350283E+04 6.6079125E-02 -2.9979090E-02 1.4829247E-02 7.6519383E-03 -3.6731174E-03 -1.5451459E-03 4.5143255E-04 11 1.1118984E+04 1.0756872E-01 -5.0557726E-02 2.5172142E-02 1.3006303E-02 -6.2410134E-03 -2.6229854E-03 7.6577082E-04 12 5.8809083E+03 1.6399373E-01 -8.1341380E-02 4.0906093E-02 2.1198703E-02 -1.0190126E-02 -4.2892531E-03 1.2535470E-03 13 3.1591708E+03 2.1989235E-01 -1.1825574E-01 6.0439140E-02 3.1431656E-02 -1.5101389E-02 -6.3454667E-03 1.8517973E-03 14 1.7229431E+03 2.3538003E-01 -1.3926708E-01 7.2558242E-02 3.7961385E-02 -1.8311731E-02 -7.7223880E-03 2.2593394E-03 15 9.5144311E+02 1.7152589E-01 -8.9375251E-02 4.4621405E-02 2.2982993E-02 -1.0960290E-02 -4.5730359E-03 1.3279082E-03 16 5.2972135E+02 6.4502068E-02 9.8764070E-02 -8.0412254E-02 -4.6504415E-02 2.2852525E-02 9.5985132E-03 -2.7897849E-03 17 3.0018773E+02 7.5886998E-03 3.6756372E-01 -3.2057579E-01 -1.9204840E-01 9.6171120E-02 4.0963869E-02 -1.2015932E-02 18 1.7251050E+02 6.8088774E-04 4.3235897E-01 -4.7454859E-01 -3.0099662E-01 1.5191149E-01 6.4330764E-02 -1.8751642E-02 19 1.0027795E+02 -3.4073715E-04 2.1421059E-01 -1.8504321E-01 -1.2264144E-01 6.5697981E-02 2.8922098E-02 -8.6216086E-03 20 5.8647643E+01 2.2621972E-04 3.3796193E-02 4.8946049E-01 5.0645356E-01 -2.9861117E-01 -1.3281107E-01 3.9352823E-02 21 3.5129986E+01 -2.1873410E-04 1.7189256E-03 6.3612228E-01 8.6124852E-01 -5.2517073E-01 -2.3055001E-01 6.7368779E-02 22 2.0948896E+01 1.4884476E-04 -2.4362728E-04 2.5167928E-01 1.8061407E-01 -1.0247168E-01 -5.1398520E-02 1.6097460E-02 23 1.1963831E+01 -9.7860603E-05 1.3608527E-05 2.7986991E-02 -7.8020982E-01 7.3880899E-01 3.7475730E-01 -1.1390073E-01 24 7.1144017E+00 7.4578262E-05 -1.4744807E-04 4.5213320E-04 -6.3790857E-01 9.3492982E-01 5.0628668E-01 -1.5157819E-01 25 4.2105796E+00 -4.5255426E-05 8.0753881E-05 3.0784355E-04 -1.3570438E-01 -1.2928882E-01 -1.0849610E-01 3.0929907E-02 26 2.3458282E+00 2.4254329E-05 -3.0549510E-05 -2.9436741E-04 -8.0518553E-03 -9.3366223E-01 -7.8150051E-01 2.6058694E-01 27 1.3151035E+00 -1.3249959E-05 2.3576114E-05 3.1774871E-05 -2.8070899E-04 -4.7883189E-01 -5.9586720E-01 2.0656694E-01 28 6.7742231E-01 6.6221333E-06 -1.1261879E-05 -2.7892416E-05 -1.6908220E-04 -4.5055718E-02 3.6658197E-01 -1.5369860E-01 29 3.6154996E-01 -3.3875817E-06 5.2568269E-06 2.0488002E-05 1.4976246E-04 7.5473086E-04 8.0424016E-01 -4.0688463E-01 30 1.8622319E-01 1.3042718E-06 -2.2605574E-06 -4.5970759E-06 -2.0471561E-05 -5.5616336E-04 3.2709440E-01 -3.1910741E-01 31 6.4748370E-02 -4.7466868E-07 7.8663280E-07 2.1885658E-06 1.3820838E-05 8.7527097E-05 1.1997918E-02 3.4962250E-01 32 3.2395122E-02 2.8269171E-07 -4.6173952E-07 -1.3681505E-06 -8.6949504E-06 -4.8762074E-05 -3.1628283E-03 6.7894428E-01 33 1.5655666E-02 -7.7766861E-08 1.3129862E-07 3.3155768E-07 2.0369013E-06 1.3236874E-05 3.3113544E-04 2.3342975E-01 2p 3p 4p 5p 6p 7p 1 5.0056466E+07 8.4501245E-06 -4.4272841E-06 2.2759051E-06 -1.0455885E-06 3.9337971E-07 -9.8301048E-08 2 1.4107896E+07 2.8874540E-05 -1.5130037E-05 7.7784460E-06 -3.5734467E-06 1.3442849E-06 -3.3589610E-07 3 4.3501780E+06 6.8934690E-05 -3.6136976E-05 1.8579038E-05 -8.5358565E-06 3.2115113E-06 -8.0253060E-07 4 1.4475158E+06 1.5141519E-04 -7.9435724E-05 4.0851248E-05 -1.8768293E-05 7.0601750E-06 -1.7640725E-06 5 5.1145888E+05 3.2348093E-04 -1.6994835E-04 8.7419098E-05 -4.0169667E-05 1.5114842E-05 -3.7772735E-06 6 1.9018287E+05 6.9477058E-04 -3.6593364E-04 1.8837912E-04 -8.6564552E-05 3.2561501E-05 -8.1353366E-06 7 7.4036494E+04 1.5407403E-03 -8.1494297E-04 4.1985709E-04 -1.9301510E-04 7.2643268E-05 -1.8155868E-05 8 3.0112568E+04 3.6039431E-03 -1.9183576E-03 9.9018316E-04 -4.5527544E-04 1.7124502E-04 -4.2780246E-05 9 1.2800233E+04 8.9074881E-03 -4.7836870E-03 2.4735172E-03 -1.1382298E-03 4.2854005E-04 -1.0712090E-04 10 5.6922318E+03 2.2634869E-02 -1.2306703E-02 6.3859501E-03 -2.9398093E-03 1.1058642E-03 -2.7624176E-04 11 2.6467159E+03 5.6171904E-02 -3.1128393E-02 1.6220711E-02 -7.4791345E-03 2.8174170E-03 -7.0436663E-04 12 1.2829167E+03 1.2700224E-01 -7.2491464E-02 3.8083502E-02 -1.7584054E-02 6.6172140E-03 -1.6528344E-03 13 6.4458296E+02 2.3946321E-01 -1.4241513E-01 7.5584151E-02 -3.5018338E-02 1.3208850E-02 -3.3034236E-03 14 3.3376271E+02 3.3223646E-01 -2.0357827E-01 1.0906799E-01 -5.0577121E-02 1.9031316E-02 -4.7508083E-03 15 1.7677153E+02 2.7812500E-01 -1.1852208E-01 5.2528525E-02 -2.3122069E-02 8.6950115E-03 -2.1838407E-03 16 9.4809898E+01 1.0539393E-01 2.1934238E-01 -1.8385864E-01 9.4737286E-02 -3.6627882E-02 9.2036281E-03 17 5.1933303E+01 1.0404583E-02 5.1711042E-01 -4.5042679E-01 2.3498822E-01 -9.0271081E-02 2.2551625E-02 18 2.8532970E+01 8.7047547E-04 3.3973591E-01 -1.8152452E-01 7.3434300E-02 -2.7410431E-02 6.9435789E-03 19 1.5323812E+01 -5.2980494E-04 6.6096603E-02 4.8827389E-01 -3.6825412E-01 1.5418840E-01 -3.9145381E-02 20 8.3196830E+00 2.2907516E-04 1.6118568E-03 5.9060561E-01 -5.1437004E-01 2.1805195E-01 -5.4791156E-02 21 4.3889791E+00 -1.5901794E-04 5.7085324E-04 1.6179493E-01 1.6609946E-01 -1.0636381E-01 2.7186107E-02 22 2.3031805E+00 1.0631002E-04 -3.6749913E-04 5.8207821E-03 7.0857757E-01 -4.3295832E-01 1.1516120E-01 23 1.1732158E+00 -5.8837990E-05 1.2195717E-04 1.6686052E-03 3.5393842E-01 -2.1815205E-01 5.5137296E-02 24 6.0152593E-01 3.5821823E-05 -7.8003664E-05 -7.6236212E-04 3.3092826E-02 3.8060454E-01 -1.1076863E-01 25 2.9708711E-01 -1.9560297E-05 4.1973783E-05 3.3338867E-04 5.8325047E-03 5.7898335E-01 -2.0785597E-01 26 1.4774966E-01 9.4596661E-06 -1.9968570E-05 -1.6064838E-04 -1.9463654E-03 2.6428479E-01 -1.5074914E-01 27 6.0067998E-02 -4.1243000E-06 8.5364085E-06 7.2036108E-05 7.7210645E-04 3.0329087E-02 2.9135638E-01 28 2.7705364E-02 2.0950030E-06 -4.3841050E-06 -3.5038711E-05 -4.4474038E-04 -1.4231737E-03 6.2326685E-01 29 1.2496437E-02 -6.1932019E-07 1.2839238E-06 1.0617463E-05 1.2448996E-04 1.2468317E-03 2.4897605E-01 3d 4d 5d 1 5.7321161E+04 3.3816802E-05 -1.8477157E-05 7.6040592E-06 2 1.3721190E+04 2.2109953E-04 -1.2124169E-04 4.9975218E-05 3 4.5494920E+03 1.2335793E-03 -6.7788082E-04 2.7927814E-04 4 1.8045830E+03 5.8963559E-03 -3.2617550E-03 1.3469686E-03 5 8.0425799E+02 2.3301904E-02 -1.2981244E-02 5.3640081E-03 6 3.8733407E+02 7.3669073E-02 -4.1697451E-02 1.7305334E-02 7 1.9715347E+02 1.7951524E-01 -1.0312463E-01 4.2884560E-02 8 1.0407153E+02 3.1310585E-01 -1.7790230E-01 7.3956811E-02 9 5.6412705E+01 3.5078798E-01 -1.6797731E-01 6.5880573E-02 10 3.0890774E+01 2.0788959E-01 6.9396499E-02 -5.1920306E-02 11 1.6789097E+01 5.1779308E-02 3.9374136E-01 -2.1379944E-01 12 9.1175647E+00 3.4896761E-03 4.4658993E-01 -2.3130840E-01 13 4.8919908E+00 4.3839601E-04 1.9477153E-01 8.5176520E-02 14 2.5537405E+00 -1.0389659E-04 2.5883243E-02 4.5795295E-01 15 1.3015811E+00 4.8869921E-05 5.5897621E-04 4.4588045E-01 16 6.3850522E-01 -1.7394221E-05 -1.0227588E-04 1.6651167E-01 17 2.9233038E-01 5.8965147E-06 -2.6516845E-05 1.7506508E-02 4f 1 1.3862901E+03 3.0977890E-04 2 4.6783673E+02 2.9873184E-03 3 1.9849692E+02 1.6997722E-02 4 9.4490361E+01 6.2646761E-02 5 4.7690347E+01 1.6272405E-01 6 2.4930297E+01 2.8965971E-01 7 1.3095920E+01 3.5574838E-01 8 6.7950520E+00 2.8067671E-01 9 3.3516116E+00 1.1521171E-01 10 1.3821010E+00 1.2340537E-02 11 5.6842679E-01 -6.7591949E-04 Pseudo-large component functions -------------------------------- 1s 2s 3s 4s 5s 6s 7s 1 5.8056557E+07 8.0076020E-06 -3.2419173E-06 1.5733457E-06 8.0788961E-07 -3.8717789E-07 -1.6274881E-07 4.7530085E-08 2 1.5452470E+07 5.1873402E-05 -2.1004238E-05 1.0193800E-05 5.2345468E-06 -2.5088355E-06 -1.0546828E-06 3.0803798E-07 3 5.2870525E+06 1.6508805E-04 -6.6898337E-05 3.2471928E-05 1.6674346E-05 -7.9909742E-06 -3.3588675E-06 9.8091744E-07 4 2.0115992E+06 4.7334695E-04 -1.9198636E-04 9.3201705E-05 4.7863689E-05 -2.2941848E-05 -9.6450813E-06 2.8171374E-06 5 8.3934865E+05 1.1756871E-03 -4.7757581E-04 2.3191257E-04 1.1909728E-04 -5.7073946E-05 -2.3988327E-05 7.0051045E-06 6 3.7128116E+05 2.7887086E-03 -1.1353067E-03 5.5151127E-04 2.8328449E-04 -1.3579970E-04 -5.7098358E-05 1.6678561E-05 7 1.7294447E+05 6.1545452E-03 -2.5149293E-03 1.2226055E-03 6.2801246E-04 -3.0094953E-04 -1.2647663E-04 3.6930627E-05 8 8.3649795E+04 1.3095963E-02 -5.3838050E-03 2.6200945E-03 1.3464943E-03 -6.4562978E-04 -2.7150817E-04 7.9317045E-05 9 4.1767358E+04 2.6492379E-02 -1.1004417E-02 5.3664224E-03 2.7585989E-03 -1.3220448E-03 -5.5553410E-04 1.6219444E-04 10 2.1350283E+04 5.1418433E-02 -2.1736279E-02 1.0634958E-02 5.4732018E-03 -2.6256934E-03 -1.1044916E-03 3.2271122E-04 11 1.1118984E+04 9.3622531E-02 -4.0793528E-02 2.0080346E-02 1.0346133E-02 -4.9605001E-03 -2.0842457E-03 6.0842453E-04 12 5.8809083E+03 1.5545003E-01 -7.1285540E-02 3.5445268E-02 1.8319060E-02 -8.8002735E-03 -3.7039624E-03 1.0825371E-03 13 3.1591708E+03 2.2133067E-01 -1.1012292E-01 5.5701086E-02 2.8894687E-02 -1.3872682E-02 -5.8279233E-03 1.7006393E-03 14 1.7229431E+03 2.4706472E-01 -1.3600427E-01 7.0332799E-02 3.6736329E-02 -1.7713819E-02 -7.4697458E-03 2.1854345E-03 15 9.5144311E+02 1.8470775E-01 -9.2199194E-02 4.6471720E-02 2.4016712E-02 -1.1467556E-02 -4.7878234E-03 1.3907990E-03 16 5.2972135E+02 7.0687567E-02 9.2868503E-02 -7.4542912E-02 -4.2960822E-02 2.1082724E-02 8.8482058E-03 -2.5705023E-03 17 3.0018773E+02 8.2569953E-03 3.6601519E-01 -3.1463060E-01 -1.8792733E-01 9.4043864E-02 4.0053924E-02 -1.1749271E-02 18 1.7251050E+02 8.6286092E-04 4.3623395E-01 -4.7326666E-01 -2.9960672E-01 1.5113531E-01 6.3994655E-02 -1.8653315E-02 19 1.0027795E+02 -5.0763939E-04 2.1734249E-01 -1.8811205E-01 -1.2515446E-01 6.7055454E-02 2.9506847E-02 -8.7926601E-03 20 5.8647643E+01 3.9581212E-04 3.4344995E-02 4.8794596E-01 5.0304337E-01 -2.9636121E-01 -1.3179481E-01 3.9052260E-02 21 3.5129986E+01 -3.8617554E-04 1.7654747E-03 6.3790488E-01 8.6120649E-01 -5.2494579E-01 -2.3043666E-01 6.7335457E-02 22 2.0948896E+01 2.9617015E-04 -2.7123569E-04 2.5254039E-01 1.8175774E-01 -1.0342335E-01 -5.1841492E-02 1.6228158E-02 23 1.1963831E+01 -2.2926793E-04 3.8087949E-05 2.8188471E-02 -7.7996204E-01 7.3792812E-01 3.7423610E-01 -1.1373988E-01 24 7.1144017E+00 1.9410818E-04 -1.7089286E-04 3.7459066E-04 -6.3859464E-01 9.3516274E-01 5.0637468E-01 -1.5160453E-01 25 4.2105796E+00 -1.3807735E-04 9.9184834E-05 3.6709697E-04 -1.3575124E-01 -1.2908687E-01 -1.0829945E-01 3.0867011E-02 26 2.3458282E+00 9.1291865E-05 -4.3727634E-05 -3.3677146E-04 -8.1264123E-03 -9.3369092E-01 -7.8139637E-01 2.6054522E-01 27 1.3151035E+00 -6.0748713E-05 3.2951180E-05 6.1401724E-05 -2.3398233E-04 -4.7896846E-01 -5.9592418E-01 2.0658637E-01 28 6.7742231E-01 3.9688789E-05 -1.7779334E-05 -4.8495822E-05 -2.0140308E-04 -4.5042232E-02 3.6657116E-01 -1.5368702E-01 29 3.6154996E-01 -2.6817748E-05 9.8612813E-06 3.5124010E-05 1.7263292E-04 7.3851839E-04 8.0424900E-01 -4.0687967E-01 30 1.8622319E-01 1.3904921E-05 -4.7342026E-06 -1.2475513E-05 -3.2745408E-05 -5.4744993E-04 3.2710878E-01 -3.1911059E-01 31 6.4748370E-02 -8.5338517E-06 2.3655604E-06 7.2413806E-06 2.1682463E-05 8.1918354E-05 1.1995869E-02 3.4962120E-01 32 3.2395122E-02 7.4133087E-06 -1.8574458E-06 -5.8445244E-06 -1.5657335E-05 -4.3789016E-05 -3.1607410E-03 6.7894522E-01 33 1.5655666E-02 -3.1872359E-06 7.3956267E-07 2.2855815E-06 5.0755988E-06 1.1064197E-05 3.3019976E-04 2.3343048E-01 2p 3p 4p 5p 6p 7p 1 5.0056466E+07 5.9484204E-08 -3.1201427E-08 1.6035719E-08 -7.3699658E-09 2.7756694E-09 -6.9409445E-10 2 1.4107896E+07 4.0772723E-07 -2.1402692E-07 1.1013043E-07 -5.0584933E-08 1.9012256E-08 -4.7476002E-09 3 4.3501780E+06 1.8809693E-06 -9.8865445E-07 5.0837976E-07 -2.3367308E-07 8.8001709E-08 -2.2005046E-08 4 1.4475158E+06 7.6833890E-06 -4.0456842E-06 2.0833654E-06 -9.5708599E-07 3.5971179E-07 -8.9821432E-08 5 5.1145888E+05 2.9898500E-05 -1.5780221E-05 8.1224363E-06 -3.7343497E-06 1.4064477E-06 -3.5169025E-07 6 1.9018287E+05 1.1353844E-04 -6.0089754E-05 3.0980645E-05 -1.4236932E-05 5.3515077E-06 -1.3363637E-06 7 7.4036494E+04 4.2262361E-04 -2.2440217E-04 1.1567934E-04 -5.3201111E-05 2.0035579E-05 -5.0095892E-06 8 3.0112568E+04 1.5261540E-03 -8.1358517E-04 4.2016424E-04 -1.9317659E-04 7.2630799E-05 -1.8139304E-05 9 1.2800233E+04 5.2371444E-03 -2.8081393E-03 1.4511729E-03 -6.6776342E-04 2.5147455E-04 -6.2872077E-05 10 5.6922318E+03 1.6626935E-02 -9.0015904E-03 4.6663677E-03 -2.1475239E-03 8.0765348E-04 -2.0172510E-04 11 2.6467159E+03 4.7393865E-02 -2.6108402E-02 1.3584263E-02 -6.2614182E-03 2.3587646E-03 -5.8973788E-04 12 1.2829167E+03 1.1623443E-01 -6.5932446E-02 3.4587792E-02 -1.5964065E-02 6.0067983E-03 -1.5002925E-03 13 6.4458296E+02 2.2938363E-01 -1.3568544E-01 7.1920837E-02 -3.3311090E-02 1.2564575E-02 -3.1423592E-03 14 3.3376271E+02 3.2610113E-01 -1.9924574E-01 1.0671327E-01 -4.9482803E-02 1.8618991E-02 -4.6477983E-03 15 1.7677153E+02 2.7537740E-01 -1.1817367E-01 5.2757420E-02 -2.3280987E-02 8.7585332E-03 -2.1997561E-03 16 9.4809898E+01 1.0256075E-01 2.1787213E-01 -1.8193779E-01 9.3675935E-02 -3.6213516E-02 9.0996163E-03 17 5.1933303E+01 7.1677817E-03 5.1730889E-01 -4.4955173E-01 2.3444636E-01 -9.0057459E-02 2.2498104E-02 18 2.8532970E+01 -2.1794467E-03 3.4073483E-01 -1.8251043E-01 7.4074780E-02 -2.7667283E-02 7.0080608E-03 19 1.5323812E+01 -3.1435046E-03 6.6361813E-02 4.8747862E-01 -3.6752513E-01 1.5387277E-01 -3.9065240E-02 20 8.3196830E+00 -2.0342750E-03 1.7019491E-03 5.9047765E-01 -5.1419582E-01 2.1798033E-01 -5.4773272E-02 21 4.3889791E+00 -2.1714454E-03 6.1350724E-04 1.6157572E-01 1.6599973E-01 -1.0627356E-01 2.7162105E-02 22 2.3031805E+00 -1.6229856E-03 -3.0450667E-04 5.5092673E-03 7.0866566E-01 -4.3294741E-01 1.1515661E-01 23 1.1732158E+00 -1.5834582E-03 1.5486180E-04 1.4071372E-03 3.5402074E-01 -2.1818938E-01 5.5147517E-02 24 6.0152593E-01 -1.2323986E-03 -3.2226694E-05 -9.9331394E-04 3.3141678E-02 3.8056130E-01 -1.1075574E-01 25 2.9708711E-01 -1.1643354E-03 6.7940386E-05 1.3534814E-04 5.8600489E-03 5.7896603E-01 -2.0784878E-01 26 1.4774966E-01 -9.5142763E-04 1.2662868E-05 -3.3390864E-04 -1.9148849E-03 2.6426601E-01 -1.5074423E-01 27 6.0067998E-02 -1.1739457E-03 3.8958352E-05 -1.3302819E-04 8.0294671E-04 3.0305965E-02 2.9135965E-01 28 2.7705364E-02 -1.9469433E-04 3.8972339E-06 -7.1469443E-05 -4.3693470E-04 -1.4286981E-03 6.2326827E-01 29 1.2496437E-02 -1.2597117E-03 3.6413499E-05 -2.1159607E-04 1.5961223E-04 1.2203279E-03 2.4898136E-01 3d 4d 5d 1 5.7321161E+04 7.9277791E-06 -4.3320739E-06 1.7812230E-06 2 1.3721190E+04 1.0840957E-04 -5.9491410E-05 2.4535774E-05 3 4.5494920E+03 8.7118651E-04 -4.7829309E-04 1.9697896E-04 4 1.8045830E+03 4.9698897E-03 -2.7459807E-03 1.1337626E-03 5 8.0425799E+02 2.1404227E-02 -1.1907267E-02 4.9186321E-03 6 3.8733407E+02 7.0634131E-02 -3.9926327E-02 1.6565831E-02 7 1.9715347E+02 1.7592868E-01 -1.0096403E-01 4.1977656E-02 8 1.0407153E+02 3.1024631E-01 -1.7619478E-01 7.3241408E-02 9 5.6412705E+01 3.4951187E-01 -1.6751820E-01 6.5735905E-02 10 3.0890774E+01 2.0742846E-01 6.8856491E-02 -5.1575245E-02 11 1.6789097E+01 5.1364793E-02 3.9323212E-01 -2.1346497E-01 12 9.1175647E+00 3.1652505E-03 4.4646398E-01 -2.3123632E-01 13 4.8919908E+00 2.1207999E-04 1.9473984E-01 8.5047806E-02 14 2.5537405E+00 -2.3838392E-04 2.5816868E-02 4.5787111E-01 15 1.3015811E+00 -4.8964051E-05 5.0888080E-04 4.4585290E-01 16 6.3850522E-01 -6.0043009E-05 -1.2812896E-04 1.6650506E-01 17 2.9233038E-01 -4.7656483E-05 -5.5142542E-05 1.7485768E-02 4f 1 1.3862901E+03 2.5993899E-04 2 4.6783673E+02 2.7962835E-03 3 1.9849692E+02 1.6505217E-02 4 9.4490361E+01 6.1809908E-02 5 4.7690347E+01 1.6171377E-01 6 2.4930297E+01 2.8884970E-01 7 1.3095920E+01 3.5529776E-01 8 6.7950520E+00 2.8052406E-01 9 3.3516116E+00 1.1515119E-01 10 1.3821010E+00 1.2312867E-02 11 5.6842679E-01 -6.8734587E-04 Foldy-Wouthuysen functions -------------------------- 1s 2s 3s 4s 5s 6s 7s 1 5.8056557E+07 8.8248016E-04 -3.6389518E-04 1.7697553E-04 9.0939158E-05 -4.3584536E-05 -1.8322345E-05 5.3507856E-06 2 1.5452470E+07 1.9014410E-03 -7.8551153E-04 3.8214501E-04 1.9639015E-04 -9.4133247E-05 -3.9577569E-05 1.1559288E-05 3 5.2870525E+06 3.3650098E-03 -1.3929869E-03 6.7784392E-04 3.4835804E-04 -1.6695560E-04 -7.0179514E-05 2.0493356E-05 4 2.0115992E+06 5.4886482E-03 -2.2817840E-03 1.1112136E-03 5.7123403E-04 -2.7384460E-04 -1.1515238E-04 3.3635984E-05 5 8.3934865E+05 8.7178643E-03 -3.6437787E-03 1.7757939E-03 9.1290324E-04 -4.3752552E-04 -1.8388550E-04 5.3690093E-05 6 3.7128116E+05 1.3549660E-02 -5.7118822E-03 2.7885191E-03 1.4343237E-03 -6.8780779E-04 -2.8928815E-04 8.4515636E-05 7 1.7294447E+05 2.1000387E-02 -8.9491383E-03 4.3764368E-03 2.2514322E-03 -1.0791352E-03 -4.5344858E-04 1.3237317E-04 8 8.3649795E+04 3.2543463E-02 -1.4079227E-02 6.9070549E-03 3.5567587E-03 -1.7064874E-03 -7.1796134E-04 2.0979821E-04 9 4.1767358E+04 5.0769694E-02 -2.2389207E-02 1.1019859E-02 5.6772799E-03 -2.7220947E-03 -1.1436527E-03 3.3381278E-04 10 2.1350283E+04 7.9394943E-02 -3.5952405E-02 1.7789626E-02 9.1792031E-03 -4.4070199E-03 -1.8546616E-03 5.4206196E-04 11 1.1118984E+04 1.2238522E-01 -5.7527617E-02 2.8657811E-02 1.4805767E-02 -7.1032645E-03 -2.9841922E-03 8.7092331E-04 12 5.8809083E+03 1.7873236E-01 -8.8927960E-02 4.4797522E-02 2.3223909E-02 -1.1166737E-02 -4.7020073E-03 1.3745919E-03 13 3.1591708E+03 2.3149950E-01 -1.2538385E-01 6.4234093E-02 3.3419679E-02 -1.6056793E-02 -6.7447142E-03 1.9677256E-03 14 1.7229431E+03 2.4046989E-01 -1.4396787E-01 7.5304116E-02 3.9434440E-02 -1.9030187E-02 -8.0288796E-03 2.3498523E-03 15 9.5144311E+02 1.7002971E-01 -8.9376646E-02 4.4903391E-02 2.3164777E-02 -1.1050212E-02 -4.6071131E-03 1.3367795E-03 16 5.2972135E+02 6.1281796E-02 1.0368942E-01 -8.3440651E-02 -4.8164865E-02 2.3656449E-02 9.9319029E-03 -2.8857332E-03 17 3.0018773E+02 6.2048643E-03 3.7314704E-01 -3.2562477E-01 -1.9514328E-01 9.7735006E-02 4.1636460E-02 -1.2214553E-02 18 1.7251050E+02 3.4276142E-04 4.3354729E-01 -4.7728564E-01 -3.0300929E-01 1.5295709E-01 6.4771494E-02 -1.8878718E-02 19 1.0027795E+02 -4.5635182E-04 2.1289547E-01 -1.8338416E-01 -1.2182443E-01 6.5361869E-02 2.8796555E-02 -8.5876094E-03 20 5.8647643E+01 1.8333596E-04 3.3120873E-02 4.9244072E-01 5.0938190E-01 -3.0036135E-01 -1.3359707E-01 3.9587080E-02 21 3.5129986E+01 -2.3860827E-04 1.5856995E-03 6.3643069E-01 8.6235391E-01 -5.2590196E-01 -2.3086601E-01 6.7459006E-02 22 2.0948896E+01 1.3951902E-04 -2.7790689E-04 2.5118834E-01 1.7953681E-01 -1.0184982E-01 -5.1150493E-02 1.6028122E-02 23 1.1963831E+01 -1.0219443E-04 4.0413764E-06 2.7818182E-02 -7.8101558E-01 7.3959614E-01 3.7517651E-01 -1.1403008E-01 24 7.1144017E+00 7.2134903E-05 -1.5310044E-04 4.2293603E-04 -6.3782710E-01 9.3506918E-01 5.0637822E-01 -1.5160415E-01 25 4.2105796E+00 -4.6209725E-05 7.8148784E-05 2.9733924E-04 -1.3558057E-01 -1.2963681E-01 -1.0869354E-01 3.0987597E-02 26 2.3458282E+00 2.3715300E-05 -3.2980616E-05 -2.9028341E-04 -8.0342685E-03 -9.3376404E-01 -7.8160620E-01 2.6062506E-01 27 1.3151035E+00 -1.3484236E-05 2.2775647E-05 2.8620922E-05 -2.7402766E-04 -4.7879748E-01 -5.9585127E-01 2.0656201E-01 28 6.7742231E-01 6.4497685E-06 -1.1284011E-05 -2.7306386E-05 -1.6854587E-04 -4.5040488E-02 3.6662463E-01 -1.5371417E-01 29 3.6154996E-01 -3.4981179E-06 5.1617692E-06 1.9338314E-05 1.4932896E-04 7.5733040E-04 8.0424704E-01 -4.0689016E-01 30 1.8622319E-01 1.2596667E-06 -2.3207772E-06 -4.3982387E-06 -1.9935184E-05 -5.5670253E-04 3.2708877E-01 -3.1910570E-01 31 6.4748370E-02 -4.8374963E-07 7.2994679E-07 2.1421657E-06 1.3931972E-05 8.7654860E-05 1.1997366E-02 3.4962492E-01 32 3.2395122E-02 2.7681579E-07 -4.6972157E-07 -1.3818651E-06 -8.7739977E-06 -4.8801892E-05 -3.1635238E-03 6.7894468E-01 33 1.5655666E-02 -8.2377522E-08 1.2430331E-07 3.1886074E-07 2.0502576E-06 1.3337708E-05 3.3140023E-04 2.3342934E-01 2p 3p 4p 5p 6p 7p 1 5.0056466E+07 6.7536539E-06 -3.5017154E-06 1.7944653E-06 -8.2294613E-07 3.0979901E-07 -7.7492460E-08 2 1.4107896E+07 2.6098190E-05 -1.3581417E-05 6.9875165E-06 -3.2129597E-06 1.2079692E-06 -3.0157648E-07 3 4.3501780E+06 6.5295890E-05 -3.3993088E-05 1.7436231E-05 -7.9995317E-06 3.0112672E-06 -7.5312542E-07 4 1.4475158E+06 1.5135845E-04 -7.9063179E-05 4.0707929E-05 -1.8720820E-05 7.0385908E-06 -1.7572488E-06 5 5.1145888E+05 3.4082488E-04 -1.7838846E-04 9.1618836E-05 -4.2052072E-05 1.5830549E-05 -3.9590847E-06 6 1.9018287E+05 7.6587596E-04 -4.0285035E-04 2.0767420E-04 -9.5519753E-05 3.5916160E-05 -8.9676948E-06 7 7.4036494E+04 1.7417252E-03 -9.2028626E-04 4.7377254E-04 -2.1763977E-04 8.1937887E-05 -2.0489639E-05 8 3.0112568E+04 4.0775070E-03 -2.1704131E-03 1.1214257E-03 -5.1595308E-04 1.9402604E-04 -4.8452327E-05 9 1.2800233E+04 9.8805829E-03 -5.3046066E-03 2.7420077E-03 -1.2612868E-03 4.7494898E-04 -1.1875428E-04 10 5.6922318E+03 2.4447301E-02 -1.3292624E-02 6.9007535E-03 -3.1778448E-03 1.1953133E-03 -2.9853436E-04 11 2.6467159E+03 5.9213946E-02 -3.2822818E-02 1.7104129E-02 -7.8854310E-03 2.9706609E-03 -7.4275785E-04 12 1.2829167E+03 1.3138019E-01 -7.5057087E-02 3.9446870E-02 -1.8216488E-02 6.8550299E-03 -1.7121209E-03 13 6.4458296E+02 2.4422948E-01 -1.4546213E-01 7.7237525E-02 -3.5787480E-02 1.3499730E-02 -3.3763432E-03 14 3.3376271E+02 3.3527293E-01 -2.0585789E-01 1.1037355E-01 -5.1193245E-02 1.9263309E-02 -4.8085242E-03 15 1.7677153E+02 2.7834404E-01 -1.1840162E-01 5.2421070E-02 -2.3069765E-02 8.6767064E-03 -2.1796178E-03 16 9.4809898E+01 1.0472179E-01 2.2124199E-01 -1.8525122E-01 9.5444863E-02 -3.6901719E-02 9.2726276E-03 17 5.1933303E+01 1.0192360E-02 5.1826303E-01 -4.5163162E-01 2.3564554E-01 -9.0524248E-02 2.2614621E-02 18 2.8532970E+01 8.4969270E-04 3.3950554E-01 -1.8111031E-01 7.3189854E-02 -2.7317299E-02 6.9206999E-03 19 1.5323812E+01 -5.3532983E-04 6.5940821E-02 4.8889329E-01 -3.6869832E-01 1.5437608E-01 -3.9193245E-02 20 8.3196830E+00 2.2818295E-04 1.5758869E-03 5.9067723E-01 -5.1449596E-01 2.1810912E-01 -5.4805312E-02 21 4.3889791E+00 -1.5961558E-04 5.7720245E-04 1.6170160E-01 1.6628849E-01 -1.0645419E-01 2.7208809E-02 22 2.3031805E+00 1.0602089E-04 -3.7290674E-04 5.8159706E-03 7.0863947E-01 -4.3300414E-01 1.1517396E-01 23 1.1732158E+00 -5.8757567E-05 1.2433904E-04 1.6643586E-03 3.5392158E-01 -2.1814235E-01 5.5134443E-02 24 6.0152593E-01 3.5767143E-05 -7.9635307E-05 -7.6074460E-04 3.3085489E-02 3.8062492E-01 -1.1077406E-01 25 2.9708711E-01 -1.9546161E-05 4.2849139E-05 3.3221240E-04 5.8330857E-03 5.7898604E-01 -2.0785796E-01 26 1.4774966E-01 9.4451528E-06 -2.0397797E-05 -1.6012290E-04 -1.9469844E-03 2.6428342E-01 -1.5074911E-01 27 6.0067998E-02 -4.1179586E-06 8.7128521E-06 7.1819476E-05 7.7228350E-04 3.0328554E-02 2.9135785E-01 28 2.7705364E-02 2.0916255E-06 -4.4737390E-06 -3.4935657E-05 -4.4481750E-04 -1.4232306E-03 6.2326726E-01 29 1.2496437E-02 -6.1855036E-07 1.3106468E-06 1.0586029E-05 1.2451018E-04 1.2468439E-03 2.4897589E-01 3d 4d 5d 1 5.7321161E+04 3.8485744E-05 -2.1026283E-05 8.6555857E-06 2 1.3721190E+04 2.4527318E-04 -1.3434790E-04 5.5355667E-05 3 4.5494920E+03 1.3207568E-03 -7.2563038E-04 2.9896786E-04 4 1.8045830E+03 6.1514724E-03 -3.4018088E-03 1.4046665E-03 5 8.0425799E+02 2.3921764E-02 -1.3326420E-02 5.5067733E-03 6 3.8733407E+02 7.4837402E-02 -4.2365239E-02 1.7583096E-02 7 1.9715347E+02 1.8114071E-01 -1.0408764E-01 4.3287759E-02 8 1.0407153E+02 3.1454374E-01 -1.7877176E-01 7.4325348E-02 9 5.6412705E+01 3.5139269E-01 -1.6827089E-01 6.5993907E-02 10 3.0890774E+01 2.0783675E-01 6.9788572E-02 -5.2128882E-02 11 1.6789097E+01 5.1703099E-02 3.9414398E-01 -2.1401766E-01 12 9.1175647E+00 3.4740244E-03 4.4669945E-01 -2.3137647E-01 13 4.8919908E+00 4.3907380E-04 1.9473548E-01 8.5262381E-02 14 2.5537405E+00 -1.0490062E-04 2.5873340E-02 4.5801690E-01 15 1.3015811E+00 4.9252204E-05 5.5706669E-04 4.4589073E-01 16 6.3850522E-01 -1.7565203E-05 -1.0194806E-04 1.6650719E-01 17 2.9233038E-01 5.9376842E-06 -2.6633290E-05 1.7505766E-02 4f 1 1.3862901E+03 3.2239653E-04 2 4.6783673E+02 3.0437424E-03 3 1.9849692E+02 1.7170325E-02 4 9.4490361E+01 6.2985665E-02 5 4.7690347E+01 1.6318432E-01 6 2.4930297E+01 2.9005133E-01 7 1.3095920E+01 3.5595459E-01 8 6.7950520E+00 2.8072408E-01 9 3.3516116E+00 1.1520707E-01 10 1.3821010E+00 1.2338363E-02 11 5.6842679E-01 -6.7605216E-04 Exponents of 6s6p polarizing functions ====================================== s p d f Fr 6.3044000E-02 5.4776156E-02 8.8690454E-02 1.8128096E-01 Ra 8.3140304E-02 6.5963600E-02 1.0946392E-01 2.1284899E-01 Exponents of correlating functions ================================== 7s7p correlating functions -------------------------- d f Fr 5.0082928E-02 Ra 7.5660527E-02 9.7593296E-02 6s6p correlating functions -------------------------- d d f Fr 5.5549041E-01 2.4440860E-01 4.9956478E-01 Ra 6.3850522E-01 2.9233038E-01 5.6842679E-01 5d correlating functions ------------------------ f f g Fr 3.1440747E+00 1.2778094E+00 2.4711460E+00 Ra 3.3516116E+00 1.3821010E+00 2.6397188E+00 4f core correlating functions ----------------------------- g g h Fr 3.1077203E+01 1.0506361E+01 2.0260978E+01 Ra 3.2456380E+01 1.1021040E+01 2.1181320E+01 3d correlating functions ------------------------ g Fr 1.1435903E+02 Ra 1.1765431E+02