7s Block Quadruple-Zeta Basis Set Archive ========================================= Date: 17 Nov 2011 When publishing work that uses these basis sets, please use the following citation: K.G. Dyall, J. Phys. Chem. A (2009) 113:12638. Available from the Dirac web site, http://dirac.chem.sdu.dk. For the core correlating functions for n=1 to n=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 4 functions for the 7p along with reoptimization of the 4 functions for the 3p-6p outer antinodes, on the total energy of the 7p^n configuration * Replacement of the outermost two f functions with the 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 (3d2f1g and 3f2g1h). The innermost of the d functions for the 6p shell was replaced with the 3rd SCF d function, which was held fixed while the other two d functions were reoptimized. The f functions for the 5d shell were discarded in favor of the SCF functions. * The correlating functions for the 7s in Ra (3d2f1g) were optimized in MR-SDCI calculations with the 7s and 7p orbitals in the active space. The inner d and f functions were replaced with the outer 6p-correlating d and f functions, and the remaining d and f functions were reoptimized with these functions held fixed. * The d exponents for the 7s polarization in Fr were taken as 7/3 times the 1st and 3rd s exponents of the tz SCF set, and the f function was taken as 3 times the 2nd s exponent of the tz SCF set. These ratios match 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 except for n=2; the correlating sets were 3p2d1f for the 1s, 3d2f1g for the 2s2p, 3f2g1h for the 3d, and 3g2h1i for the 4f. For the 1s, 2s2p, and 3d correlation, exponents from the occupied symmetries were used and frozen and the rest were optimized. The smallest g exponent from the 3d correlating set replaced the largest g exponent from the 4f correlating set and was held fixed while the remaining exponents were optimized, to reduce linear dependence. The 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 7s7p correlating functions. 4. Exponents of 6s6p correlating functions. 5. Exponents of 6s6p dipole polarization functions 6. Exponents of 5d correlating functions. The f functions in this set are the original functions; they are replaced by the SCF functions in the contractions. 7. 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, 2nd, 4th, 5th, 6th, and 8th s primitives from the SCF set 1st, 2nd, 4th, 6th, 7th, and 8th p primitives from the SCF set 6s6p correlating 3d2f1g set (includes 1st-3rd d primitives and 1st-2nd f primitives from the SCF set) 7s7p correlating set (2d1f for Fr, 2d1f1g for Ra) (HF + 6s6p5d3f1g/2g valence/outer core) 2. Core 5d correlation. To basis set 1, add the following: 9th, 10th, and 11th s primitives from the SCF set 9th, 10th, and 11th p primitives from the SCF set 4th, 5th, and 6th d primitives from the SCF set 3rd and 4th f primitives from the SCF set 5d correlating 2g1h set (HF + 6s6p5d3f1g/2g valence/outer core + 3s3p3d2f2g1h core) If linear dependence is encountered in the s and p spaces, use the 10th, 11th, and 12th primitives or the 9th, 10th, and 12th primitives instead. 3. Outer core (6s6p) dipole polarization. To any of the above basis sets, add the g polarizing function. The s, p, d, and f polarizing functions are fairly well covered by the rest of the basis. However, if the valence exponents (including the outer four s and p SCF exponents) are not used, then add all the polarization functions. 4. Inner core correlation. Add the correlating functions to the basis sets for the desired shells, and uncontract three functions from each of the shells of the same principal quantum number. These should be chosen to span the radial maxima of the shells. Note that the smallest g exponent of the 3d correlating set is the same as the largest g exponent of the 4f correlating set. Dirac-Hartree-Fock basis sets ============================= ** Fr 223 ** Large component functions ------------------------- 1s+ 2s+ 3s+ 4s+ 5s+ 6s+ 7s+ 1 5.8437105E+07 3.2494253E-04 -1.3125017E-04 6.3641710E-05 -3.2600520E-05 1.5481725E-05 -6.2613973E-06 1.5546995E-06 2 1.5557955E+07 7.5576039E-04 -3.0657805E-04 1.4876290E-04 -7.6216991E-05 3.6196598E-05 -1.4639520E-05 3.6349730E-06 3 5.3280440E+06 1.4696868E-03 -5.9901950E-04 2.9089649E-04 -1.4906848E-04 7.0798187E-05 -2.8633953E-05 7.1098225E-06 4 2.0309186E+06 2.5993428E-03 -1.0672790E-03 5.1892518E-04 -2.6599602E-04 1.2634220E-04 -5.1100241E-05 1.2688122E-05 5 8.5037471E+05 4.5060891E-03 -1.8659113E-03 9.0850075E-04 -4.6586409E-04 2.2129252E-04 -8.9502863E-05 2.2223839E-05 6 3.7834640E+05 7.6097971E-03 -3.1868926E-03 1.5545429E-03 -7.9746820E-04 3.7886106E-04 -1.5324355E-04 3.8050044E-05 7 1.7787824E+05 1.2780771E-02 -5.4205598E-03 2.6496104E-03 -1.3600338E-03 6.4619257E-04 -2.6136291E-04 6.4898641E-05 8 8.7171515E+04 2.1285505E-02 -9.1687916E-03 4.4931698E-03 -2.3074965E-03 1.0965868E-03 -4.4359996E-04 1.1014351E-04 9 4.4314434E+04 3.5230508E-02 -1.5450608E-02 7.5945526E-03 -3.9038789E-03 1.8554738E-03 -7.5049045E-04 1.8636086E-04 10 2.3193795E+04 5.7502563E-02 -2.5810763E-02 1.2737522E-02 -6.5523089E-03 3.1153483E-03 -1.2604748E-03 3.1295999E-04 11 1.2442666E+04 9.1463327E-02 -4.2355478E-02 2.1020407E-02 -1.0832617E-02 5.1516454E-03 -2.0837533E-03 5.1747523E-04 12 6.8044519E+03 1.3843923E-01 -6.7143631E-02 3.3608012E-02 -1.7347177E-02 8.2560510E-03 -3.3416538E-03 8.2964135E-04 13 3.7833472E+03 1.9037544E-01 -9.8883394E-02 5.0160213E-02 -2.6001232E-02 1.2382025E-02 -5.0084953E-03 1.2440349E-03 14 2.1409948E+03 2.2017260E-01 -1.2548464E-01 6.4845951E-02 -3.3722672E-02 1.6087433E-02 -6.5184880E-03 1.6179473E-03 15 1.2415766E+03 1.9118565E-01 -1.1497105E-01 6.0086394E-02 -3.1453638E-02 1.4997567E-02 -6.0567959E-03 1.5060857E-03 16 7.4828874E+02 1.0924140E-01 -3.4917318E-02 1.3111540E-02 -5.8691033E-03 2.7355284E-03 -1.1367861E-03 2.7712941E-04 17 4.7458137E+02 3.9133998E-02 1.0531553E-01 -8.3032280E-02 4.7354569E-02 -2.3248267E-02 9.5440565E-03 -2.3617890E-03 18 3.0182197E+02 8.1959542E-03 2.9055294E-01 -2.5061200E-01 1.4985673E-01 -7.3895951E-02 3.0008097E-02 -7.4770285E-03 19 1.8838503E+02 3.0234073E-04 3.9012241E-01 -4.0537879E-01 2.5172423E-01 -1.2606231E-01 5.1789989E-02 -1.2850420E-02 20 1.1665143E+02 1.5164224E-04 2.6767315E-01 -3.0959800E-01 2.0785298E-01 -1.0602629E-01 4.3224803E-02 -1.0803512E-02 21 7.2781769E+01 -1.2529217E-04 8.1734984E-02 1.5020985E-01 -1.4791202E-01 8.1092034E-02 -3.3260696E-02 8.3735779E-03 22 4.5911008E+01 3.7853883E-05 9.4651378E-03 5.9369515E-01 -6.8334884E-01 4.0941148E-01 -1.7528140E-01 4.3700249E-02 23 2.8691585E+01 -4.4625613E-05 4.6085891E-04 4.8557780E-01 -6.8379366E-01 4.1040548E-01 -1.7285466E-01 4.3367544E-02 24 1.7806141E+01 2.8299912E-05 -7.4657145E-05 1.5264027E-01 6.3697103E-02 -5.7962639E-02 2.0615337E-02 -5.2925743E-03 25 1.0637534E+01 -1.1441003E-05 -1.5050716E-04 1.6201986E-02 8.0667500E-01 -8.0644570E-01 3.9692861E-01 -1.0083416E-01 26 6.4135017E+00 1.0231776E-05 5.4289775E-06 5.1399813E-04 5.4983124E-01 -8.1111452E-01 4.2206012E-01 -1.0879695E-01 27 3.8188259E+00 -6.0856598E-06 -9.2065762E-06 1.7947849E-04 1.0539445E-01 2.0460282E-01 -1.5218427E-01 4.0882878E-02 28 2.2075723E+00 3.0821854E-06 1.9389501E-05 -2.7558644E-04 5.7237320E-03 8.6609562E-01 -6.7787080E-01 1.8394927E-01 29 1.2791878E+00 -2.0390045E-06 -4.7139945E-06 4.6599725E-05 6.9061535E-04 4.7432633E-01 -5.6722546E-01 1.7026507E-01 30 7.1098881E-01 1.0625510E-06 3.5020897E-06 -4.3136444E-05 4.2706331E-05 6.5632224E-02 1.8368160E-01 -7.3856843E-02 31 3.8125537E-01 -5.5756949E-07 -2.3786261E-06 2.8617670E-05 -7.4012962E-05 9.8793552E-04 7.1496015E-01 -2.5405771E-01 32 1.9933542E-01 3.2911690E-07 1.0108175E-06 -1.1868084E-05 -8.6397951E-06 6.9252302E-04 4.8563843E-01 -2.7961788E-01 33 9.3680787E-02 -2.4915430E-07 -9.1422153E-07 1.0874476E-05 -1.3566604E-05 -2.3083961E-04 7.2633625E-02 -1.9789525E-01 34 5.6434652E-02 2.0328696E-07 7.2925562E-07 -8.6680262E-06 9.0718388E-06 1.8920882E-04 -8.6186614E-03 2.3587650E-01 35 2.9350377E-02 -1.2080442E-07 -4.3187346E-07 5.1367909E-06 -5.2440469E-06 -1.1182380E-04 3.6311927E-03 5.0182213E-01 36 1.8037285E-02 6.3391528E-08 2.2843848E-07 -2.7166212E-06 2.9780817E-06 5.3259213E-05 -1.1487522E-03 4.1602842E-01 37 1.0318977E-02 -1.3428949E-08 -4.7766991E-08 5.6858046E-07 -5.5745900E-07 -1.2658367E-05 2.9563708E-04 1.3420688E-01 2p- 3p- 4p- 5p- 6p- 7p- 1 7.2214733E+07 2.3593952E-05 -1.2133805E-05 6.1989848E-06 -2.8359944E-06 1.0431409E-06 -1.7355903E-07 2 2.5507917E+07 8.6275969E-05 -4.4368222E-05 2.2667218E-05 -1.0370261E-05 3.8144253E-06 -6.3464861E-07 3 9.2643844E+06 1.8679865E-04 -9.6072933E-05 4.9083110E-05 -2.2455288E-05 8.2595533E-06 -1.3742345E-06 4 3.5369058E+06 3.5668619E-04 -1.8347279E-04 9.3739897E-05 -4.2886841E-05 1.5774849E-05 -2.6246388E-06 5 1.4063325E+06 6.4321595E-04 -3.3094048E-04 1.6909020E-04 -7.7359116E-05 2.8454466E-05 -4.7342904E-06 6 5.7933186E+05 1.1310450E-03 -5.8217476E-04 2.9749589E-04 -1.3611424E-04 5.0066774E-05 -8.3301771E-06 7 2.4607655E+05 1.9651774E-03 -1.0123243E-03 5.1737913E-04 -2.3671432E-04 8.7069732E-05 -1.4486791E-05 8 1.0762406E+05 3.4064992E-03 -1.7573001E-03 8.9850497E-04 -4.1116442E-04 1.5124350E-04 -2.5164154E-05 9 4.8474695E+04 5.9567478E-03 -3.0809934E-03 1.5761335E-03 -7.2126209E-04 2.6530821E-04 -4.4142556E-05 10 2.2489491E+04 1.0649558E-02 -5.5328420E-03 2.8340072E-03 -1.2975193E-03 4.7733118E-04 -7.9419756E-05 11 1.0749409E+04 1.9639757E-02 -1.0279236E-02 5.2733341E-03 -2.4146418E-03 8.8829925E-04 -1.4779895E-04 12 5.2971066E+03 3.7242917E-02 -1.9715831E-02 1.0146436E-02 -4.6513268E-03 1.7115683E-03 -2.8478122E-04 13 2.6915444E+03 7.1041308E-02 -3.8279679E-02 1.9776685E-02 -9.0703526E-03 3.3378204E-03 -5.5537718E-04 14 1.4090236E+03 1.2989444E-01 -7.1799661E-02 3.7357966E-02 -1.7175243E-02 6.3237150E-03 -1.0522263E-03 15 7.5823627E+02 2.1211053E-01 -1.2105290E-01 6.3444463E-02 -2.9194464E-02 1.0750000E-02 -1.7887924E-03 16 4.1811717E+02 2.8148350E-01 -1.6394499E-01 8.6588770E-02 -3.9984580E-02 1.4735374E-02 -2.4520268E-03 17 2.3548376E+02 2.6406749E-01 -1.2925582E-01 6.2998497E-02 -2.8293616E-02 1.0363619E-02 -1.7238114E-03 18 1.3442622E+02 1.4499273E-01 6.9297285E-02 -6.9637519E-02 3.6156521E-02 -1.3610410E-02 2.2693564E-03 19 7.7303622E+01 3.4654769E-02 3.6179851E-01 -2.9554337E-01 1.5218957E-01 -5.7308388E-02 9.5538165E-03 20 4.5328559E+01 2.4120275E-03 4.3649794E-01 -3.7009099E-01 1.9042215E-01 -7.1562573E-02 1.1929514E-02 21 2.6514615E+01 1.1244141E-04 2.1667722E-01 -1.1538724E-03 -3.5584803E-02 1.6092303E-02 -2.7244473E-03 22 1.5325745E+01 -1.0090027E-04 3.7357447E-02 4.8453352E-01 -3.6329549E-01 1.4724809E-01 -2.4702616E-02 23 8.9644651E+00 -3.1884412E-05 2.4237180E-03 5.0421163E-01 -4.3208749E-01 1.8181762E-01 -3.0609310E-02 24 5.2083215E+00 1.3411790E-06 -5.4407769E-06 1.7611796E-01 4.7107395E-02 -4.7749913E-02 8.4698457E-03 25 2.9611039E+00 1.7840206E-06 6.4982930E-05 1.7788950E-02 5.5937814E-01 -3.1439244E-01 5.4168866E-02 26 1.6612203E+00 4.9426272E-06 -1.2955479E-04 9.8788626E-04 4.8563859E-01 -3.1482140E-01 5.5558758E-02 27 9.1033510E-01 -9.4046277E-07 5.3688414E-05 -8.5583303E-05 1.3333286E-01 6.2258868E-02 -1.4273228E-02 28 4.8156914E-01 1.0317474E-06 -3.6835099E-05 3.1059722E-05 1.0533669E-02 4.5747256E-01 -9.0996929E-02 29 2.5086437E-01 -6.6365898E-07 2.4913361E-05 -5.2480694E-05 9.3413456E-04 4.6785633E-01 -1.0313140E-01 30 1.3293077E-01 4.6575606E-07 -1.7420756E-05 3.0995579E-05 -3.3394078E-05 1.8846950E-01 -8.3192972E-02 31 7.2740869E-02 -2.9717411E-07 1.1137412E-05 -1.9612286E-05 2.3434818E-05 2.5993255E-02 7.4794042E-03 32 3.6276380E-02 1.7934192E-07 -6.7155965E-06 1.2285523E-05 -2.8550431E-05 2.3285436E-03 2.5892338E-01 33 1.9435731E-02 -1.1519683E-07 4.3207964E-06 -7.7357837E-06 9.6927724E-06 1.4468674E-04 4.8200036E-01 34 1.0637485E-02 5.6220315E-08 -2.1070706E-06 3.8158918E-06 -6.0078219E-06 1.5402947E-04 3.1490147E-01 35 5.8410599E-03 -1.4995631E-08 5.6255696E-07 -1.0135607E-06 1.3485804E-06 -9.9535413E-06 4.5495064E-02 2p+ 3p+ 4p+ 5p+ 6p+ 7p+ 1 7.2214733E+07 6.5529206E-08 -3.5018356E-08 1.7986895E-08 -8.1294475E-09 2.8250502E-09 -5.1303691E-10 2 2.5507917E+07 2.3251175E-07 -1.2441717E-07 6.4143994E-08 -2.9061184E-08 1.0092179E-08 -1.8315150E-09 3 9.2643844E+06 8.0536098E-07 -4.3086146E-07 2.2148897E-07 -1.0014925E-07 3.4799126E-08 -6.3190330E-09 4 3.5369058E+06 2.5203432E-06 -1.3502334E-06 6.9588740E-07 -3.1516634E-07 1.0946458E-07 -1.9868171E-08 5 1.4063325E+06 7.7885301E-06 -4.1753413E-06 2.1483293E-06 -9.7178693E-07 3.3764941E-07 -6.1307204E-08 6 5.7933186E+05 2.3625414E-05 -1.2689080E-05 6.5418874E-06 -2.9626571E-06 1.0290904E-06 -1.8679494E-07 7 2.4607655E+05 7.1358329E-05 -3.8386450E-05 1.9771877E-05 -8.9468884E-06 3.1085991E-06 -5.6440680E-07 8 1.0762406E+05 2.1440582E-04 -1.1563676E-04 5.9667964E-05 -2.7025755E-05 9.3882527E-06 -1.7041686E-06 9 4.8474695E+04 6.3942669E-04 -3.4575679E-04 1.7833993E-04 -8.0731962E-05 2.8051246E-05 -5.0929582E-06 10 2.2489491E+04 1.8798554E-03 -1.0204393E-03 5.2732594E-04 -2.3892025E-04 8.3004280E-05 -1.5067448E-05 11 1.0749409E+04 5.3751103E-03 -2.9326141E-03 1.5161038E-03 -6.8672531E-04 2.3863113E-04 -4.3325296E-05 12 5.2971066E+03 1.4659617E-02 -8.0682193E-03 4.1835559E-03 -1.8970114E-03 6.5915978E-04 -1.1965737E-04 13 2.6915444E+03 3.7259686E-02 -2.0803359E-02 1.0817563E-02 -4.9068259E-03 1.7055277E-03 -3.0965673E-04 14 1.4090236E+03 8.5419618E-02 -4.8856302E-02 2.5582661E-02 -1.1628380E-02 4.0423534E-03 -7.3382957E-04 15 7.5823627E+02 1.6837664E-01 -9.9656910E-02 5.2597502E-02 -2.3943828E-02 8.3283651E-03 -1.5122133E-03 16 4.1811717E+02 2.6649936E-01 -1.6476667E-01 8.8173221E-02 -4.0302553E-02 1.4023922E-02 -2.5458890E-03 17 2.3548376E+02 3.0267625E-01 -1.8421833E-01 9.7484416E-02 -4.4361672E-02 1.5432855E-02 -2.8026947E-03 18 1.3442622E+02 2.1118323E-01 -4.5711527E-02 7.2676767E-03 -1.3177286E-03 3.1109557E-04 -5.2906654E-05 19 7.7303622E+01 7.0651653E-02 2.6647375E-01 -2.2060662E-01 1.1170947E-01 -3.9607581E-02 7.1982243E-03 20 4.5328559E+01 7.2700811E-03 4.6988819E-01 -4.1168884E-01 2.1130504E-01 -7.5182046E-02 1.3678740E-02 21 2.6514615E+01 6.2485155E-04 3.1177221E-01 -1.7592887E-01 7.2217692E-02 -2.4370847E-02 4.4028582E-03 22 1.5325745E+01 -3.6939259E-04 7.8833735E-02 3.5636139E-01 -2.5796740E-01 9.7361929E-02 -1.7765123E-02 23 8.9644651E+00 1.2095662E-04 5.3403089E-03 5.7054266E-01 -4.7996579E-01 1.8903861E-01 -3.4673659E-02 24 5.2083215E+00 -1.1152872E-04 8.0420396E-04 2.7935520E-01 -1.4851609E-01 4.5786060E-02 -8.1541808E-03 25 2.9611039E+00 7.3749888E-05 -3.5770582E-04 4.4725057E-02 4.4533236E-01 -2.2493275E-01 4.1819546E-02 26 1.6612203E+00 -3.6566517E-05 7.1944039E-05 2.0998991E-03 5.7285784E-01 -3.4226828E-01 6.5084695E-02 27 9.1033510E-01 2.4341150E-05 -8.1549594E-05 2.5842547E-04 2.2892624E-01 -8.6419667E-02 1.5200153E-02 28 4.8156914E-01 -1.3873734E-05 4.0954668E-05 -1.1389289E-04 2.7628935E-02 3.3163079E-01 -6.8518941E-02 29 2.5086437E-01 9.0744468E-06 -2.5729693E-05 1.9426411E-05 2.1573620E-03 4.9333605E-01 -1.0876694E-01 30 1.3293077E-01 -6.3382999E-06 1.8097922E-05 -2.2005657E-05 -2.3585484E-04 3.0054114E-01 -1.0952385E-01 31 7.2740869E-02 4.0392084E-06 -1.1543709E-05 1.4235271E-05 2.0357790E-04 7.6708107E-02 -5.4551053E-02 32 3.6276380E-02 -2.4193754E-06 6.8798300E-06 -7.5686138E-06 -1.6509396E-04 9.2391089E-03 1.7794126E-01 33 1.9435731E-02 1.5577980E-06 -4.4417505E-06 5.1869585E-06 9.5131150E-05 -3.8567614E-04 4.8335844E-01 34 1.0637485E-02 -7.5812642E-07 2.1587572E-06 -2.4439532E-06 -4.9881033E-05 7.2358636E-04 3.9055184E-01 35 5.8410599E-03 2.0247559E-07 -5.7712688E-07 6.6522966E-07 1.2967050E-05 -1.0910750E-04 7.6633709E-02 3d- 4d- 5d- 1 2.7978606E+05 1.0334261E-05 -5.6163153E-06 2.2679119E-06 2 6.5442154E+04 4.7022194E-05 -2.5560891E-05 1.0324132E-05 3 2.0897003E+04 1.8074042E-04 -9.8393356E-05 3.9742420E-05 4 7.9148628E+03 6.4877382E-04 -3.5368140E-04 1.4295234E-04 5 3.3880641E+03 2.2407820E-03 -1.2262135E-03 4.9579182E-04 6 1.5891864E+03 7.3991301E-03 -4.0664561E-03 1.6464712E-03 7 7.9816648E+02 2.2346588E-02 -1.2381449E-02 5.0192363E-03 8 4.2157263E+02 5.9274832E-02 -3.3203899E-02 1.3499037E-02 9 2.3152269E+02 1.3275490E-01 -7.5608009E-02 3.0829071E-02 10 1.3098720E+02 2.3535688E-01 -1.3358123E-01 5.4453616E-02 11 7.5695081E+01 3.1024463E-01 -1.6790912E-01 6.7673930E-02 12 4.4571605E+01 2.6978637E-01 -8.9067260E-02 2.8627877E-02 13 2.6373972E+01 1.3793662E-01 1.3969743E-01 -8.2707572E-02 14 1.5468210E+01 3.4566595E-02 3.6502281E-01 -1.9183719E-01 15 9.1089202E+00 3.1003537E-03 3.8471736E-01 -1.9714431E-01 16 5.3279681E+00 4.5584474E-04 2.0258112E-01 1.8731129E-02 17 3.0621704E+00 -6.9537262E-05 4.7209776E-02 3.0677679E-01 18 1.7248355E+00 4.1959975E-05 3.4302952E-03 4.3758728E-01 19 9.4444264E-01 -1.8216164E-05 8.1737277E-05 2.8550254E-01 20 5.1058455E-01 8.8403305E-06 -1.0608431E-04 1.0284167E-01 21 2.1739844E-01 -9.8805658E-07 -1.5614166E-05 1.1239292E-02 3d+ 4d+ 5d+ 1 2.7978606E+05 4.2339449E-07 -2.3110366E-07 9.2345780E-08 2 6.5442154E+04 4.9583995E-06 -2.6981160E-06 1.0822606E-06 3 2.0897003E+04 3.9424120E-05 -2.1533939E-05 8.6176968E-06 4 7.9148628E+03 2.4329136E-04 -1.3282390E-04 5.3266852E-05 5 3.3880641E+03 1.2110782E-03 -6.6383160E-04 2.6599621E-04 6 1.5891864E+03 5.0324264E-03 -2.7674066E-03 1.1111553E-03 7 7.9816648E+02 1.7547481E-02 -9.7277757E-03 3.9078973E-03 8 4.2157263E+02 5.0943381E-02 -2.8541901E-02 1.1504312E-02 9 2.3152269E+02 1.2099008E-01 -6.9017169E-02 2.7893557E-02 10 1.3098720E+02 2.2444207E-01 -1.2810478E-01 5.1838847E-02 11 7.5695081E+01 3.0913266E-01 -1.7028488E-01 6.8294233E-02 12 4.4571605E+01 2.8175286E-01 -1.0609194E-01 3.6596644E-02 13 2.6373972E+01 1.5199372E-01 1.1310433E-01 -6.9107279E-02 14 1.5468210E+01 4.0824714E-02 3.5003605E-01 -1.8228116E-01 15 9.1089202E+00 3.9163839E-03 3.9624176E-01 -2.0537998E-01 16 5.3279681E+00 5.9325209E-04 2.2269889E-01 -9.4791993E-03 17 3.0621704E+00 -8.9974381E-05 5.6180371E-02 2.7911011E-01 18 1.7248355E+00 5.7747063E-05 4.5222111E-03 4.3965752E-01 19 9.4444264E-01 -2.7678196E-05 1.9895197E-04 3.0621345E-01 20 5.1058455E-01 1.1646200E-05 -1.0792977E-04 1.2006718E-01 21 2.1739844E-01 -1.5062791E-06 -1.8865479E-05 1.4906640E-02 4f- 1 3.3407821E+03 4.9218624E-05 2 1.1022655E+03 4.2866352E-04 3 4.6685541E+02 2.5382836E-03 4 2.2346487E+02 1.1379924E-02 5 1.1572915E+02 3.8101738E-02 6 6.2618590E+01 9.7569807E-02 7 3.4992576E+01 1.9291755E-01 8 1.9833606E+01 2.8142128E-01 9 1.1258079E+01 3.0741718E-01 10 6.3430570E+00 2.3486729E-01 11 3.4832182E+00 1.1114898E-01 12 1.8066607E+00 2.4252530E-02 13 6.8991025E-01 9.8888525E-04 14 3.2240268E-01 -9.0058642E-05 4f+ 1 3.3407821E+03 2.5941075E-05 2 1.1022655E+03 3.1663912E-04 3 4.6685541E+02 2.1540611E-03 4 2.2346487E+02 1.0278562E-02 5 1.1572915E+02 3.5751520E-02 6 6.2618590E+01 9.3866862E-02 7 3.4992576E+01 1.8802836E-01 8 1.9833606E+01 2.7815376E-01 9 1.1258079E+01 3.0916029E-01 10 6.3430570E+00 2.4026486E-01 11 3.4832182E+00 1.1626976E-01 12 1.8066607E+00 2.6456755E-02 13 6.8991025E-01 1.1664702E-03 14 3.2240268E-01 -1.1482459E-04 Small component functions ------------------------- 1s+ 2s+ 3s+ 4s+ 5s+ 6s+ 7s+ 1 5.8437105E+07 -3.6377445E-04 1.4650767E-04 -7.1005250E-05 3.6368474E-05 -1.7270486E-05 6.9847201E-06 -1.7343075E-06 2 1.5557955E+07 -1.2174098E-03 4.9037418E-04 -2.3766606E-04 1.2172847E-04 -5.7806507E-05 2.3379385E-05 -5.8050255E-06 3 5.3280440E+06 -2.2672321E-03 9.1392640E-04 -4.4300474E-04 2.2691544E-04 -1.0775719E-04 4.3580016E-05 -1.0820985E-05 4 2.0309186E+06 -4.0097695E-03 1.6177719E-03 -7.8429317E-04 4.0172261E-04 -1.9077502E-04 7.7159076E-05 -1.9158190E-05 5 8.5037471E+05 -6.4161327E-03 2.5924280E-03 -1.2571420E-03 6.4401397E-04 -3.0583382E-04 1.2368563E-04 -3.0711719E-05 6 3.7834640E+05 -1.0075402E-02 4.0796954E-03 -1.9791016E-03 1.0138474E-03 -4.8149422E-04 1.9474837E-04 -4.8354292E-05 7 1.7787824E+05 -1.5040749E-02 6.1119139E-03 -2.9669365E-03 1.5203759E-03 -7.2204527E-04 2.9200305E-04 -7.2507351E-05 8 8.7171515E+04 -2.2021531E-02 8.9998599E-03 -4.3733998E-03 2.2412406E-03 -1.0645458E-03 4.3060621E-04 -1.0691321E-04 9 4.4314434E+04 -3.1006805E-02 1.2793312E-02 -6.2282035E-03 3.1941172E-03 -1.5171757E-03 6.1354746E-04 -1.5235617E-04 10 2.3193795E+04 -4.2369604E-02 1.7759675E-02 -8.6718018E-03 4.4490877E-03 -2.1139719E-03 8.5522945E-04 -2.1233360E-04 11 1.2442666E+04 -5.5066629E-02 2.3695487E-02 -1.1629898E-02 5.9773835E-03 -2.8406117E-03 1.1487522E-03 -2.8527940E-04 12 6.8044519E+03 -6.7135076E-02 3.0162817E-02 -1.4929546E-02 7.6848884E-03 -3.6549776E-03 1.4791937E-03 -3.6722842E-04 13 3.7833472E+03 -7.3144106E-02 3.5188826E-02 -1.7662483E-02 9.1326907E-03 -4.3461527E-03 1.7576890E-03 -4.3658314E-04 14 2.1409948E+03 -6.6542599E-02 3.5222451E-02 -1.8039519E-02 9.3614822E-03 -4.4635944E-03 1.8084543E-03 -4.4886149E-04 15 1.2415766E+03 -4.5221755E-02 2.5545864E-02 -1.3303090E-02 6.9589588E-03 -3.3175760E-03 1.3397869E-03 -3.3314563E-04 16 7.4828874E+02 -2.0480627E-02 6.6778993E-03 -2.7416762E-03 1.2859798E-03 -6.0546203E-04 2.5040400E-04 -6.1309670E-05 17 4.7458137E+02 -5.8456817E-03 -1.3922464E-02 1.0799878E-02 -6.1350640E-03 3.0100190E-03 -1.2360526E-03 3.0579971E-04 18 3.0182197E+02 -1.0271560E-03 -3.1704520E-02 2.6965452E-02 -1.6076855E-02 7.9211582E-03 -3.2158294E-03 8.0129235E-04 19 1.8838503E+02 1.8582532E-06 -3.4086093E-02 3.4989112E-02 -2.1682119E-02 1.0853474E-02 -4.4585812E-03 1.1062689E-03 20 1.1665143E+02 -3.4624003E-05 -1.8491400E-02 2.1242105E-02 -1.4253354E-02 7.2687531E-03 -2.9632711E-03 7.4060000E-04 21 7.2781769E+01 2.5736132E-05 -4.4843157E-03 -7.9512328E-03 7.8019182E-03 -4.2700755E-03 1.7499936E-03 -4.4063948E-04 22 4.5911008E+01 -1.5660767E-05 -4.0545934E-04 -2.5440466E-02 2.9186953E-02 -1.7475772E-02 7.4811363E-03 -1.8651237E-03 23 2.8691585E+01 1.1155826E-05 -2.0010496E-05 -1.6485292E-02 2.3164056E-02 -1.3901054E-02 5.8547656E-03 -1.4688881E-03 24 1.7806141E+01 -6.9078774E-06 4.7253372E-06 -4.0877582E-03 -1.6712540E-03 1.5207930E-03 -5.3829947E-04 1.3823940E-04 25 1.0637534E+01 4.0537437E-06 1.4362281E-06 -3.3427297E-04 -1.6629015E-02 1.6609989E-02 -8.1738570E-03 2.0764021E-03 26 6.4135017E+00 -2.6246137E-06 9.9537458E-07 -8.8304754E-06 -8.8078514E-03 1.2985049E-02 -6.7564973E-03 1.7416560E-03 27 3.8188259E+00 1.5682039E-06 -5.4597130E-07 -1.8540998E-06 -1.3027298E-03 -2.5244716E-03 1.8773213E-03 -5.0431723E-04 28 2.2075723E+00 -9.1053082E-07 2.0700142E-07 2.3755546E-06 -5.3892841E-05 -8.1329198E-03 6.3643796E-03 -1.7270193E-03 29 1.2791878E+00 5.2510079E-07 -1.9225871E-07 -2.0769215E-07 -4.8842537E-06 -3.3910665E-03 4.0545760E-03 -1.2170574E-03 30 7.1098881E-01 -2.7925795E-07 1.0263429E-07 1.6226036E-07 -2.5487582E-07 -3.4976501E-04 -9.7871294E-04 3.9351667E-04 31 3.8125537E-01 1.5061732E-07 -5.6588003E-08 -7.4899669E-08 3.0339888E-07 -3.8801180E-06 -2.7898991E-03 9.9135989E-04 32 1.9933542E-01 -8.4357907E-08 3.4214167E-08 1.2714879E-08 1.6418595E-08 -1.9407585E-06 -1.3702931E-03 7.8895937E-04 33 9.3680787E-02 6.5219955E-08 -2.7017092E-08 -4.8724255E-09 3.2373964E-08 4.3617330E-07 -1.4049325E-04 3.8278690E-04 34 5.6434652E-02 -5.3557907E-08 2.2594327E-08 -3.0229648E-10 -1.8644315E-08 -2.7556001E-07 1.2935570E-05 -3.5412040E-04 35 2.9350377E-02 3.2991778E-08 -1.4157022E-08 2.6682240E-09 8.7695497E-09 1.1582213E-07 -3.9290330E-06 -5.4331660E-04 36 1.8037285E-02 -1.8276447E-08 7.9181444E-09 -2.2621616E-09 -4.2400793E-09 -4.2291855E-08 9.7364300E-07 -3.5310595E-04 37 1.0318977E-02 4.2444640E-09 -1.8554350E-09 6.9768005E-10 7.5554261E-10 7.4488738E-09 -1.8946943E-07 -8.6156966E-05 2p- 3p- 4p- 5p- 6p- 7p- 1 7.2214733E+07 -8.6028950E-06 4.4256778E-06 -2.2608257E-06 1.0341251E-06 -3.8035496E-07 6.3283943E-08 2 2.5507917E+07 -3.1818640E-05 1.6373312E-05 -8.3673161E-06 3.8288244E-06 -1.4084035E-06 2.3433198E-07 3 9.2643844E+06 -7.2725555E-05 3.7443672E-05 -1.9132132E-05 8.7519521E-06 -3.2190586E-06 5.3559151E-07 4 3.5369058E+06 -1.4261545E-04 7.3476766E-05 -3.7560826E-05 1.7189190E-05 -6.3230371E-06 1.0520363E-06 5 1.4063325E+06 -2.6370781E-04 1.3601745E-04 -6.9527108E-05 3.1807153E-05 -1.1699119E-05 1.9465195E-06 6 5.7933186E+05 -4.7470871E-04 2.4519862E-04 -1.2542564E-04 5.7410613E-05 -2.1119351E-05 3.5138779E-06 7 2.4607655E+05 -8.4616692E-04 4.3800345E-04 -2.2407574E-04 1.0252688E-04 -3.7711934E-05 6.2745988E-06 8 1.0762406E+05 -1.5017764E-03 7.7944944E-04 -3.9918620E-04 1.8277825E-04 -6.7242236E-05 1.1187945E-05 9 4.8474695E+04 -2.6619216E-03 1.3867589E-03 -7.1051585E-04 3.2520957E-04 -1.1962766E-04 1.9904055E-05 10 2.2489491E+04 -4.7065690E-03 2.4636511E-03 -1.2643639E-03 5.7924025E-04 -2.1311989E-04 3.5459764E-05 11 1.0749409E+04 -8.2344411E-03 4.3403647E-03 -2.2300486E-03 1.0213808E-03 -3.7575943E-04 6.2520865E-05 12 5.2971066E+03 -1.4026501E-02 7.4692841E-03 -3.8495674E-03 1.7655245E-03 -6.4973090E-04 1.0810679E-04 13 2.6915444E+03 -2.2722241E-02 1.2302195E-02 -6.3621300E-03 2.9184104E-03 -1.0739811E-03 1.7869964E-04 14 1.4090236E+03 -3.3692730E-02 1.8706043E-02 -9.7428085E-03 4.4805668E-03 -1.6497925E-03 2.7451610E-04 15 7.5823627E+02 -4.3239310E-02 2.4809452E-02 -1.3017314E-02 5.9913912E-03 -2.2062444E-03 3.6711934E-04 16 4.1811717E+02 -4.4244116E-02 2.5985673E-02 -1.3751644E-02 6.3534299E-03 -2.3416447E-03 3.8966229E-04 17 2.3548376E+02 -3.1542067E-02 1.5699244E-02 -7.6977357E-03 3.4630380E-03 -1.2689086E-03 2.1106803E-04 18 1.3442622E+02 -1.2733113E-02 -6.5768059E-03 6.4975234E-03 -3.3662822E-03 1.2666983E-03 -2.1119909E-04 19 7.7303622E+01 -1.7813690E-03 -2.5926640E-02 2.1092763E-02 -1.0853323E-02 4.0863300E-03 -6.8121887E-04 20 4.5328559E+01 3.4728065E-04 -2.4021978E-02 2.0336516E-02 -1.0464187E-02 3.9326910E-03 -6.5558389E-04 21 2.6514615E+01 3.2905404E-04 -9.1319980E-03 1.1309796E-04 1.4518788E-03 -6.5911121E-04 1.1162195E-04 22 1.5325745E+01 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9.1089202E+00 -6.9462790E-05 -1.1199457E-02 5.7405770E-03 16 5.3279681E+00 7.2338631E-07 -4.5097531E-03 -4.1497445E-04 17 3.0621704E+00 7.0288271E-06 -7.9461213E-04 -5.1799641E-03 18 1.7248355E+00 2.2281835E-06 -4.1950073E-05 -5.5467930E-03 19 9.4444264E-01 1.7363886E-06 1.0929147E-07 -2.6779462E-03 20 5.1058455E-01 5.3619947E-07 1.0690095E-06 -7.0919043E-04 21 2.1739844E-01 4.9819537E-07 3.4760103E-07 -5.0398201E-05 3d+ 4d+ 5d+ 1 2.7978606E+05 -7.2732664E-07 3.9761068E-07 -1.5844224E-07 2 6.5442154E+04 -6.3645553E-06 3.4527882E-06 -1.3857374E-06 3 2.0897003E+04 -3.6949970E-05 2.0142829E-05 -8.0539241E-06 4 7.9148628E+03 -1.6395004E-04 8.9250093E-05 -3.5778027E-05 5 3.3880641E+03 -5.8731412E-04 3.2106209E-04 -1.2856537E-04 6 1.5891864E+03 -1.7727976E-03 9.7217051E-04 -3.9013363E-04 7 7.9816648E+02 -4.5430491E-03 2.5121445E-03 -1.0086423E-03 8 4.2157263E+02 -9.8027553E-03 5.4790630E-03 -2.2073822E-03 9 2.3152269E+02 -1.7501219E-02 9.9624355E-03 -4.0246453E-03 10 1.3098720E+02 -2.4619147E-02 1.4027428E-02 -5.6744725E-03 11 7.5695081E+01 -2.5899181E-02 1.4250157E-02 -5.7141952E-03 12 4.4571605E+01 -1.8167933E-02 6.8475422E-03 -2.3649467E-03 13 2.6373972E+01 -7.5480235E-03 -5.5854244E-03 3.4133003E-03 14 1.5468210E+01 -1.5539674E-03 -1.3278572E-02 6.9125706E-03 15 9.1089202E+00 -1.1409966E-04 -1.1545297E-02 5.9826935E-03 16 5.3279681E+00 -1.3398904E-05 -4.9639994E-03 2.1274016E-04 17 3.0621704E+00 1.6167056E-06 -9.4955586E-04 -4.7138721E-03 18 1.7248355E+00 -7.8306480E-07 -5.7322785E-05 -5.5739565E-03 19 9.4444264E-01 2.8375645E-07 -1.8851038E-06 -2.8728384E-03 20 5.1058455E-01 -8.9270414E-08 7.5146647E-07 -8.2825430E-04 21 2.1739844E-01 8.6594358E-09 8.3491926E-08 -6.7098437E-05 4f- 1 3.3407821E+03 -1.8521090E-05 2 1.1022655E+03 -1.2589846E-04 3 4.6685541E+02 -5.4415870E-04 4 2.2346487E+02 -1.7748914E-03 5 1.1572915E+02 -4.3802316E-03 6 6.2618590E+01 -8.3486243E-03 7 3.4992576E+01 -1.2410653E-02 8 1.9833606E+01 -1.3672084E-02 9 1.1258079E+01 -1.1269394E-02 10 6.3430570E+00 -6.4669190E-03 11 3.4832182E+00 -2.2679519E-03 12 1.8066607E+00 -3.5564782E-04 13 6.8991025E-01 -8.6686475E-06 14 3.2240268E-01 6.1000126E-07 4f+ 1 3.3407821E+03 -1.4016209E-05 2 1.1022655E+03 -1.0656987E-04 3 4.6685541E+02 -4.8913114E-04 4 2.2346487E+02 -1.6464748E-03 5 1.1572915E+02 -4.1629167E-03 6 6.2618590E+01 -8.0833523E-03 7 3.4992576E+01 -1.2143119E-02 8 1.9833606E+01 -1.3543193E-02 9 1.1258079E+01 -1.1349827E-02 10 6.3430570E+00 -6.6234755E-03 11 3.4832182E+00 -2.3756149E-03 12 1.8066607E+00 -3.8933361E-04 13 6.8991025E-01 -1.0607704E-05 14 3.2240268E-01 7.1390381E-07 ** Ra 226 ** Large component functions ------------------------- 1s+ 2s+ 3s+ 4s+ 5s+ 6s+ 7s+ 1 5.8063745E+07 3.4723313E-04 -1.4097385E-04 6.8452482E-05 -3.5165753E-05 1.6867454E-05 7.1023668E-06 2.0788714E-06 2 1.5456539E+07 8.0627458E-04 -3.2877415E-04 1.5976004E-04 -8.2087345E-05 3.9375444E-05 1.6580040E-05 4.8530114E-06 3 5.2902553E+06 1.5650222E-03 -6.4126395E-04 3.1185817E-04 -1.6027141E-04 7.6882966E-05 3.2373693E-05 9.4758448E-06 4 2.0139873E+06 2.7653224E-03 -1.1416258E-03 5.5589118E-04 -2.8577084E-04 1.3709578E-04 5.7729713E-05 1.6897704E-05 5 8.4100059E+05 4.7992199E-03 -1.9985731E-03 9.7455101E-04 -5.0118323E-04 2.4046303E-04 1.0125683E-04 2.9638199E-05 6 3.7222700E+05 8.1475344E-03 -3.4325070E-03 1.6769954E-03 -8.6280918E-04 4.1401126E-04 1.7434666E-04 5.1032457E-05 7 1.7339801E+05 1.3821785E-02 -5.9002177E-03 2.8887799E-03 -1.4871410E-03 7.1371189E-04 3.0055054E-04 8.7972530E-05 8 8.3843273E+04 2.3350507E-02 -1.0130869E-02 4.9736535E-03 -2.5619389E-03 1.2296918E-03 5.1789175E-04 1.5159304E-04 9 4.1893009E+04 3.9274214E-02 -1.7369105E-02 8.5541970E-03 -4.4103271E-03 2.1174716E-03 8.9173356E-04 2.6101572E-04 10 2.1503090E+04 6.4999215E-02 -2.9474487E-02 1.4580758E-02 -7.5244276E-03 3.6132974E-03 1.5220064E-03 4.4552257E-04 11 1.1316750E+04 1.0372465E-01 -4.8683375E-02 2.4230418E-02 -1.2526959E-02 6.0188926E-03 2.5349520E-03 7.4199904E-04 12 6.1012610E+03 1.5399496E-01 -7.6075659E-02 3.8239764E-02 -1.9810392E-02 9.5224129E-03 4.0125622E-03 1.1746432E-03 13 3.3802236E+03 2.0068879E-01 -1.0679045E-01 5.4444147E-02 -2.8330566E-02 1.3636720E-02 5.7438047E-03 1.6812258E-03 14 1.9375255E+03 2.1194010E-01 -1.2337373E-01 6.4124931E-02 -3.3473391E-02 1.6117889E-02 6.8003905E-03 1.9913032E-03 15 1.1622306E+03 1.6495171E-01 -9.6962170E-02 5.0231359E-02 -2.6348259E-02 1.2722730E-02 5.3440721E-03 1.5630589E-03 16 7.4041380E+02 9.0173756E-02 -2.1195313E-02 5.7330356E-03 -1.9068230E-03 7.3916791E-04 3.4303564E-04 1.0314671E-04 17 4.8927196E+02 3.8204733E-02 1.0295009E-01 -8.2172543E-02 4.7059163E-02 -2.3159326E-02 -9.8904597E-03 -2.9034205E-03 18 3.0925510E+02 8.3302115E-03 3.0212824E-01 -2.6047941E-01 1.5619931E-01 -7.8150843E-02 -3.3104323E-02 -9.6954254E-03 19 1.9033412E+02 3.0911845E-04 3.9789099E-01 -4.2014794E-01 2.6282354E-01 -1.3261311E-01 -5.6658492E-02 -1.6625839E-02 20 1.1620696E+02 1.0513586E-04 2.6394007E-01 -2.9080351E-01 1.9554351E-01 -1.0186751E-01 -4.3439484E-02 -1.2731848E-02 21 6.9524001E+01 -1.0488561E-04 7.1343661E-02 2.3629623E-01 -2.3343001E-01 1.3317425E-01 5.7800087E-02 1.6983899E-02 22 4.4016782E+01 3.6891300E-05 2.0341014E-03 6.0755341E-01 -7.3253126E-01 4.4552169E-01 1.9901535E-01 5.8808753E-02 23 2.7864480E+01 -4.6537627E-05 2.5826467E-03 4.1939480E-01 -5.8620325E-01 3.5610823E-01 1.5598176E-01 4.5876910E-02 24 1.7888079E+01 3.4635599E-05 -1.5202835E-03 1.2554889E-01 9.7080341E-02 -8.0208447E-02 -3.0355119E-02 -8.5934428E-03 25 1.1216696E+01 -1.6298065E-05 7.1823026E-04 1.6401148E-02 7.5010653E-01 -7.5722425E-01 -3.9222361E-01 -1.1875185E-01 26 6.9291713E+00 1.2566724E-05 -5.0242321E-04 6.5187610E-04 5.7942804E-01 -8.4446278E-01 -4.5744308E-01 -1.3875406E-01 27 4.1267626E+00 -7.1613150E-06 2.8228666E-04 2.2890104E-04 1.2908181E-01 1.1752768E-01 1.0232751E-01 3.1728477E-02 28 2.4158729E+00 3.9452472E-06 -1.6187252E-04 -3.1190736E-04 5.1744349E-03 8.7215090E-01 7.1146352E-01 2.3267726E-01 29 1.4153691E+00 -2.9484266E-06 1.1622472E-04 6.8760932E-05 1.8138539E-03 5.0759195E-01 6.3148700E-01 2.2560644E-01 30 8.4517663E-01 1.8076257E-06 -7.1913778E-05 -6.7935965E-05 -4.8102276E-04 8.3220009E-02 -9.2050114E-02 -4.8521808E-02 31 4.7543331E-01 -1.0258873E-06 4.1297593E-05 4.4555773E-05 2.0046186E-04 7.6048812E-03 -6.6150926E-01 -2.8868036E-01 32 2.6884052E-01 6.4363561E-07 -2.5582443E-05 -2.1277559E-05 -1.7743696E-04 -1.1878210E-03 -5.7606889E-01 -3.7463747E-01 33 1.4408405E-01 -4.1587830E-07 1.6685563E-05 1.6267349E-05 8.6704522E-05 1.0048175E-03 -1.3537728E-01 -2.1917641E-01 34 8.8418964E-02 2.5033077E-07 -1.0027420E-05 -9.4419056E-06 -5.4564100E-05 -5.5169889E-04 1.0882493E-03 2.0046776E-01 35 4.4870324E-02 -9.7994037E-08 3.9240828E-06 3.6386082E-06 2.1494580E-05 2.0958862E-04 -2.3384395E-03 5.5023971E-01 36 2.4238512E-02 3.9804275E-08 -1.5993159E-06 -1.5661350E-06 -8.1124977E-06 -8.7817366E-05 1.1372744E-03 4.7212500E-01 37 1.2957507E-02 -9.0608973E-09 3.6263188E-07 3.3062140E-07 2.0151543E-06 1.9095157E-05 -9.9716906E-05 9.9718882E-02 2p- 3p- 4p- 5p- 6p- 7p- 1 7.3182779E+07 2.4308478E-05 -1.2520955E-05 6.4180941E-06 -2.9719890E-06 1.1555078E-06 -2.8197959E-07 2 2.6089769E+07 9.0265800E-05 -4.6492926E-05 2.3831768E-05 -1.1035811E-05 4.2907502E-06 -1.0470709E-06 3 9.5297328E+06 1.9529413E-04 -1.0060003E-04 5.1567242E-05 -2.3879037E-05 9.2841655E-06 -2.2656232E-06 4 3.6600644E+06 3.7116420E-04 -1.9122028E-04 9.8023434E-05 -4.5392716E-05 1.7648887E-05 -4.3068509E-06 5 1.4635706E+06 6.6615133E-04 -3.4327912E-04 1.7597925E-04 -8.1491242E-05 3.1683815E-05 -7.7318489E-06 6 6.0613475E+05 1.1638909E-03 -6.0002041E-04 3.0763473E-04 -1.4246718E-04 5.5392643E-05 -1.3517414E-05 7 2.5903128E+05 2.0053581E-03 -1.0346207E-03 5.3053707E-04 -2.4568995E-04 9.5524810E-05 -2.3311220E-05 8 1.1399497E+05 3.4492611E-03 -1.7820519E-03 9.1417399E-04 -4.2342878E-04 1.6464015E-04 -4.0176775E-05 9 5.1588928E+04 5.9906668E-03 -3.1029509E-03 1.5926322E-03 -7.3768302E-04 2.8682036E-04 -6.9994910E-05 10 2.4003062E+04 1.0629815E-02 -5.5298174E-03 2.8416588E-03 -1.3168566E-03 5.1208872E-04 -1.2496287E-04 11 1.1489822E+04 1.9434142E-02 -1.0182729E-02 5.2408902E-03 -2.4289691E-03 9.4450632E-04 -2.3050413E-04 12 5.6641636E+03 3.6550918E-02 -1.9365462E-02 9.9972042E-03 -4.6386316E-03 1.8043492E-03 -4.4030546E-04 13 2.8764168E+03 6.9333810E-02 -3.7370650E-02 1.9367350E-02 -8.9903906E-03 3.4969146E-03 -8.5347790E-04 14 1.5036986E+03 1.2670549E-01 -7.0014880E-02 3.6532038E-02 -1.6999087E-02 6.6165244E-03 -1.6146120E-03 15 8.0749065E+02 2.0811123E-01 -1.1864544E-01 6.2360907E-02 -2.9042792E-02 1.1303111E-02 -2.7591331E-03 16 4.4413349E+02 2.7960044E-01 -1.6282832E-01 8.6230149E-02 -4.0302526E-02 1.5703682E-02 -3.8318457E-03 17 2.4950778E+02 2.6754951E-01 -1.3343516E-01 6.5895366E-02 -3.0042049E-02 1.1630560E-02 -2.8395777E-03 18 1.4213966E+02 1.5105308E-01 5.8353435E-02 -6.2576975E-02 3.3151790E-02 -1.3207179E-02 3.2374945E-03 19 8.1649158E+01 3.7612619E-02 3.5189801E-01 -2.8788090E-01 1.5011119E-01 -5.9839912E-02 1.4631245E-02 20 4.7811197E+01 2.7657526E-03 4.4174895E-01 -3.7738202E-01 1.9714210E-01 -7.8378091E-02 1.9195367E-02 21 2.7891171E+01 1.3223275E-04 2.2679400E-01 -1.6206414E-02 -2.7210407E-02 1.3653049E-02 -3.4582397E-03 22 1.5990892E+01 -1.0798700E-04 3.9840665E-02 4.9003264E-01 -3.7475972E-01 1.6162465E-01 -3.9826545E-02 23 9.2767269E+00 -2.7718660E-05 2.1966184E-03 5.1251772E-01 -4.4526375E-01 1.9864097E-01 -4.9334397E-02 24 5.3424985E+00 -9.1067688E-07 8.2907511E-05 1.7112399E-01 6.8476865E-02 -6.3571031E-02 1.6900079E-02 25 3.0427043E+00 3.8080345E-06 8.7153403E-06 1.5621220E-02 5.7763597E-01 -3.5070188E-01 8.9448717E-02 26 1.7198799E+00 3.8227745E-06 -1.0189533E-04 1.1231142E-03 4.6858015E-01 -3.2913909E-01 8.7462304E-02 27 9.5405338E-01 -3.8592100E-07 4.0902751E-05 -2.0172685E-04 1.2252243E-01 1.0194493E-01 -3.5907469E-02 28 5.0604988E-01 6.4653739E-07 -2.8194805E-05 7.1812852E-05 9.5512863E-03 5.1399613E-01 -1.5524097E-01 29 2.6796428E-01 -4.0358058E-07 1.8574646E-05 -7.2298946E-05 4.8227498E-04 4.5280202E-01 -1.8312765E-01 30 1.4281275E-01 2.4698814E-07 -1.1253606E-05 4.0382594E-05 3.7881201E-05 1.4040720E-01 -8.2572446E-02 31 7.2473572E-02 -1.3678898E-07 6.3073215E-06 -2.0768190E-05 -8.0994828E-05 1.4733259E-02 2.4182765E-01 32 3.7058393E-02 7.8889390E-08 -3.5835343E-06 1.2698171E-05 7.4569656E-06 1.4017593E-03 5.0650421E-01 33 1.9107648E-02 -3.5411137E-08 1.6346765E-06 -5.4786373E-06 -1.5797208E-05 6.8695554E-04 3.5826024E-01 34 9.8582561E-03 9.7948702E-09 -4.4656223E-07 1.5446940E-06 2.5518095E-06 -1.0776742E-05 5.9266739E-02 2p+ 3p+ 4p+ 5p+ 6p+ 7p+ 1 7.3182779E+07 6.7551830E-08 -3.6194663E-08 1.8671652E-08 -8.5556335E-09 3.1743186E-09 -8.1158825E-10 2 2.6089769E+07 2.3957575E-07 -1.2855047E-07 6.6511502E-08 -3.0538866E-08 1.1335757E-08 -2.8944431E-09 3 9.5297328E+06 8.2363069E-07 -4.4180692E-07 2.2807159E-07 -1.0454525E-07 3.8791624E-08 -9.9157841E-09 4 3.6600644E+06 2.5509413E-06 -1.3703625E-06 7.0888660E-07 -3.2539349E-07 1.2077512E-07 -3.0845815E-08 5 1.4635706E+06 7.8107989E-06 -4.1984307E-06 2.1690977E-06 -9.9464120E-07 3.6909093E-07 -9.4331474E-08 6 6.0613475E+05 2.3433647E-05 -1.2620293E-05 6.5310637E-06 -2.9978480E-06 1.1126921E-06 -2.8421307E-07 7 2.5903128E+05 6.9842271E-05 -3.7670953E-05 1.9482201E-05 -8.9365254E-06 3.3163887E-06 -8.4753005E-07 8 1.1399497E+05 2.0721050E-04 -1.1205876E-04 5.8043127E-05 -2.6646792E-05 9.8906002E-06 -2.5265101E-06 9 5.1588928E+04 6.1214333E-04 -3.3188439E-04 1.7187631E-04 -7.8870708E-05 2.9271624E-05 -7.4802673E-06 10 2.4003062E+04 1.7873901E-03 -9.7283226E-04 5.0465688E-04 -2.3175693E-04 8.6027583E-05 -2.1976439E-05 11 1.1489822E+04 5.0885368E-03 -2.7832610E-03 1.4446476E-03 -6.6330930E-04 2.4620563E-04 -6.2915727E-05 12 5.6641636E+03 1.3860714E-02 -7.6459374E-03 3.9795346E-03 -1.8290090E-03 6.7903005E-04 -1.7347010E-04 13 2.8764168E+03 3.5314185E-02 -1.9751070E-02 1.0309649E-02 -4.7402770E-03 1.7599695E-03 -4.4975357E-04 14 1.5036986E+03 8.1514433E-02 -4.6668268E-02 2.4521486E-02 -1.1296822E-02 4.1959722E-03 -1.0719751E-03 15 8.0749065E+02 1.6261289E-01 -9.6253797E-02 5.0978140E-02 -2.3522665E-02 8.7395827E-03 -2.2336021E-03 16 4.4413349E+02 2.6183902E-01 -1.6184860E-01 8.6874053E-02 -4.0242899E-02 1.4963851E-02 -3.8229620E-03 17 2.4950778E+02 3.0456675E-01 -1.8685953E-01 9.9557638E-02 -4.5968667E-02 1.7080099E-02 -4.3665754E-03 18 1.4213966E+02 2.1929375E-01 -5.8306060E-02 1.5415344E-02 -5.2353030E-03 1.8068303E-03 -4.5348125E-04 19 8.1649158E+01 7.6714465E-02 2.5005942E-01 -2.0847742E-01 1.0711602E-01 -4.0653597E-02 1.0400479E-02 20 4.7811197E+01 8.5100442E-03 4.7032418E-01 -4.1367913E-01 2.1562288E-01 -8.2007034E-02 2.1020757E-02 21 2.7891171E+01 6.7420637E-04 3.2607982E-01 -1.9650453E-01 8.5058017E-02 -3.1087382E-02 7.8968842E-03 22 1.5990892E+01 -3.6972757E-04 8.4815214E-02 3.5262959E-01 -2.6123078E-01 1.0615849E-01 -2.7309546E-02 23 9.2767269E+00 1.2078390E-04 5.0736421E-03 5.8354647E-01 -5.0023566E-01 2.1131440E-01 -5.4784308E-02 24 5.3424985E+00 -1.1461400E-04 1.0554880E-03 2.7725081E-01 -1.4040869E-01 4.4808794E-02 -1.1035300E-02 25 3.0427043E+00 8.0183160E-05 -5.4729581E-04 4.1309156E-02 4.6918376E-01 -2.5873863E-01 6.8280456E-02 26 1.7198799E+00 -4.1829244E-05 1.8712305E-04 2.3671501E-03 5.6443792E-01 -3.7249515E-01 1.0187330E-01 27 9.5405338E-01 2.7437828E-05 -1.4539212E-04 -1.1826902E-05 2.1708733E-01 -6.8901681E-02 1.4987787E-02 28 5.0604988E-01 -1.5475509E-05 7.8416125E-05 3.6957254E-06 2.5627423E-02 3.9344567E-01 -1.1741183E-01 29 2.6796428E-01 9.6270107E-06 -4.7546837E-05 -5.2820518E-05 1.1293201E-03 5.1548311E-01 -1.9064730E-01 30 1.4281275E-01 -5.7551928E-06 2.8385372E-05 2.8694115E-05 -1.5832190E-06 2.5315078E-01 -1.5934695E-01 31 7.2473572E-02 3.2463733E-06 -1.6117940E-05 -1.2953671E-05 -7.6010539E-05 4.6489126E-02 1.2208943E-01 32 3.7058393E-02 -1.8076737E-06 8.9104537E-06 9.2346812E-06 -3.2833828E-05 2.9425714E-03 4.7173238E-01 33 1.9107648E-02 8.3331007E-07 -4.1306554E-06 -3.6321470E-06 -5.3030450E-06 1.8264480E-03 4.5338632E-01 34 9.8582561E-03 -2.2540925E-07 1.1128080E-06 1.1160828E-06 -2.6890269E-06 -1.0970801E-05 1.1906213E-01 3d- 4d- 5d- 1 3.6363772E+05 8.0208196E-06 -4.3839313E-06 1.8122823E-06 2 8.4471675E+04 3.6401928E-05 -1.9895951E-05 8.2275286E-06 3 2.6760208E+04 1.3758970E-04 -7.5319081E-05 3.1141422E-05 4 1.0084314E+04 4.8084977E-04 -2.6343708E-04 1.0901216E-04 5 4.2845385E+03 1.6317425E-03 -8.9740239E-04 3.7135889E-04 6 1.9897682E+03 5.3786893E-03 -2.9676373E-03 1.2299863E-03 7 9.8967189E+02 1.6528913E-02 -9.1917902E-03 3.8126824E-03 8 5.1868856E+02 4.5243111E-02 -2.5379527E-02 1.0556955E-02 9 2.8300411E+02 1.0642934E-01 -6.0734795E-02 2.5333384E-02 10 1.5940839E+02 2.0314689E-01 -1.1636794E-01 4.8620984E-02 11 9.1697601E+01 2.9598711E-01 -1.6525680E-01 6.8596947E-02 12 5.3692336E+01 2.9792092E-01 -1.3122016E-01 5.0242683E-02 13 3.1599978E+01 1.8032763E-01 6.6423338E-02 -4.9362033E-02 14 1.8490637E+01 5.5637094E-02 3.2043669E-01 -1.7410632E-01 15 1.0827366E+01 6.5924347E-03 4.1195119E-01 -2.2396928E-01 16 6.3206076E+00 6.5281960E-04 2.5572088E-01 -5.1279216E-02 17 3.6457723E+00 -4.8378147E-05 7.2597050E-02 2.5896994E-01 18 2.0553207E+00 4.2238586E-05 6.9606310E-03 4.4738986E-01 19 1.1321279E+00 -1.9023770E-05 1.3874468E-04 3.2754219E-01 20 6.0844286E-01 9.6817018E-06 -1.1494425E-04 1.2588604E-01 21 2.6444538E-01 -1.0318776E-06 -1.9696992E-05 1.2955095E-02 3d+ 4d+ 5d+ 1 3.6363772E+05 2.7886390E-07 -1.5329107E-07 6.2671591E-08 2 8.4471675E+04 3.2552902E-06 -1.7801965E-06 7.3270979E-07 3 2.6760208E+04 2.5730350E-05 -1.4143485E-05 5.7964029E-06 4 1.0084314E+04 1.5895913E-04 -8.7233072E-05 3.5874705E-05 5 4.2845385E+03 8.0470520E-04 -4.4353621E-04 1.8205465E-04 6 1.9897682E+03 3.4411572E-03 -1.9005550E-03 7.8220348E-04 7 9.8967189E+02 1.2466146E-02 -6.9384549E-03 2.8549595E-03 8 5.1868856E+02 3.7882127E-02 -2.1261126E-02 8.7788520E-03 9 2.8300411E+02 9.5277195E-02 -5.4432662E-02 2.2525328E-02 10 1.5940839E+02 1.9093250E-01 -1.0987123E-01 4.5609849E-02 11 9.1697601E+01 2.9086419E-01 -1.6440621E-01 6.7876590E-02 12 5.3692336E+01 3.0688114E-01 -1.4415984E-01 5.6239963E-02 13 3.1599978E+01 1.9581469E-01 3.9852389E-02 -3.5821339E-02 14 1.8490637E+01 6.4565339E-02 2.9921040E-01 -1.6164177E-01 15 1.0827366E+01 8.2854333E-03 4.1735269E-01 -2.2725783E-01 16 6.3206076E+00 8.2673916E-04 2.7709028E-01 -7.7393405E-02 17 3.6457723E+00 -4.7296787E-05 8.4874522E-02 2.2703793E-01 18 2.0553207E+00 5.1969245E-05 9.0451222E-03 4.4352218E-01 19 1.1321279E+00 -2.5957072E-05 2.6532738E-04 3.4807672E-01 20 6.0844286E-01 1.1358710E-05 -9.7251971E-05 1.4558657E-01 21 2.6444538E-01 -1.3334944E-06 -2.7212866E-05 1.7125376E-02 4f- 1 3.6745073E+03 4.3813064E-05 2 1.2081620E+03 3.7890722E-04 3 5.1026706E+02 2.2567232E-03 4 2.4359038E+02 1.0240105E-02 5 1.2589418E+02 3.5038480E-02 6 6.8036993E+01 9.1518779E-02 7 3.7981552E+01 1.8547595E-01 8 2.1542824E+01 2.7712666E-01 9 1.2249691E+01 3.0954776E-01 10 6.9241349E+00 2.4244816E-01 11 3.8201017E+00 1.1793280E-01 12 1.9946900E+00 2.6548274E-02 13 7.7610685E-01 1.1102066E-03 14 3.7157633E-01 -1.0395901E-04 4f+ 1 3.6745073E+03 2.2220643E-05 2 1.2081620E+03 2.7405246E-04 3 5.1026706E+02 1.8939231E-03 4 2.4359038E+02 9.1913468E-03 5 1.2589418E+02 3.2735761E-02 6 6.8036993E+01 8.7837009E-02 7 3.7981552E+01 1.8051835E-01 8 2.1542824E+01 2.7353843E-01 9 1.2249691E+01 3.1098960E-01 10 6.9241349E+00 2.4785866E-01 11 3.8201017E+00 1.2327283E-01 12 1.9946900E+00 2.8920953E-02 13 7.7610685E-01 1.3077067E-03 14 3.7157633E-01 -1.3199749E-04 Small component functions ------------------------- 1s+ 2s+ 3s+ 4s+ 5s+ 6s+ 7s+ 1 5.8063745E+07 -3.8539410E-04 1.5600598E-04 -7.5713664E-05 3.8891476E-05 -1.8653990E-05 -7.8545112E-06 -2.2990184E-06 2 1.5456539E+07 -1.2878997E-03 5.2141167E-04 -2.5306340E-04 1.2998816E-04 -6.2347221E-05 -2.6252613E-05 -7.6841859E-06 3 5.2902553E+06 -2.3962007E-03 9.7086589E-04 -4.7125897E-04 2.4208066E-04 -1.1611375E-04 -4.8891038E-05 -1.4310406E-05 4 2.0139873E+06 -4.2353023E-03 1.7175549E-03 -8.3385139E-04 4.2834095E-04 -2.0545101E-04 -8.6510825E-05 -2.5321960E-05 5 8.4100059E+05 -6.7906355E-03 2.7580066E-03 -1.3392990E-03 6.8806811E-04 -3.3004339E-04 -1.3896745E-04 -4.0675657E-05 6 3.7222700E+05 -1.0714597E-02 4.3613101E-03 -2.1188038E-03 1.0885699E-03 -5.2214289E-04 -2.1986898E-04 -6.4356672E-05 7 1.7339801E+05 -1.6149603E-02 6.5981082E-03 -3.2075105E-03 1.6483601E-03 -7.9073162E-04 -3.3294173E-04 -9.7451436E-05 8 8.3843273E+04 -2.3905008E-02 9.8256623E-03 -4.7822623E-03 2.4580226E-03 -1.1791366E-03 -4.9655005E-04 -1.4534419E-04 9 4.1893009E+04 -3.4050865E-02 1.4141011E-02 -6.8954982E-03 3.5465705E-03 -1.7017084E-03 -7.1652078E-04 -2.0972387E-04 10 2.1503090E+04 -4.6814392E-02 1.9781633E-02 -9.6795914E-03 4.9816609E-03 -2.3905295E-03 -1.0068149E-03 -2.9471024E-04 11 1.1316750E+04 -6.0521432E-02 2.6337986E-02 -1.2960205E-02 6.6819250E-03 -3.2082226E-03 -1.3509382E-03 -3.9541700E-04 12 6.1012610E+03 -7.1770512E-02 3.2781309E-02 -1.6291582E-02 8.4164923E-03 -4.0426596E-03 -1.7032678E-03 -4.9860793E-04 13 3.3802236E+03 -7.3779253E-02 3.6315343E-02 -1.8320640E-02 9.5096555E-03 -4.5744859E-03 -1.9264446E-03 -5.6385853E-04 14 1.9375255E+03 -6.1497891E-02 3.3238639E-02 -1.7131285E-02 8.9248811E-03 -4.2952538E-03 -1.8120721E-03 -5.3060820E-04 15 1.1622306E+03 -3.7934291E-02 2.1017327E-02 -1.0878243E-02 5.7063262E-03 -2.7553754E-03 -1.1574622E-03 -3.3854663E-04 16 7.4041380E+02 -1.6906959E-02 4.2632788E-03 -1.4519714E-03 5.9549489E-04 -2.5941136E-04 -1.1498905E-04 -3.4139111E-05 17 4.8927196E+02 -5.7910586E-03 -1.3813521E-02 1.0844026E-02 -6.1840712E-03 3.0397664E-03 1.2984330E-03 3.8119287E-04 18 3.0925510E+02 -1.0639234E-03 -3.3374755E-02 2.8364975E-02 -1.6959195E-02 8.4789164E-03 3.5907979E-03 1.0516110E-03 19 1.9033412E+02 1.5802915E-06 -3.4962959E-02 3.6458435E-02 -2.2757333E-02 1.1476874E-02 4.9029697E-03 1.4387048E-03 20 1.1620696E+02 -3.0092277E-05 -1.8211666E-02 1.9952966E-02 -1.3418124E-02 6.9889483E-03 2.9803416E-03 8.7352685E-04 21 6.9524001E+01 2.4578721E-05 -3.8299279E-03 -1.2307655E-02 1.2112464E-02 -6.9026451E-03 -2.9946771E-03 -8.7988644E-04 22 4.4016782E+01 -1.8376996E-05 -7.8690634E-05 -2.5517830E-02 3.0664699E-02 -1.8638622E-02 -8.3249822E-03 -2.4599829E-03 23 2.7864480E+01 1.5194885E-05 -9.3802917E-05 -1.4028814E-02 1.9572842E-02 -1.1890448E-02 -5.2083545E-03 -1.5318747E-03 24 1.7888079E+01 -1.0899030E-05 4.5872679E-05 -3.3750270E-03 -2.5659595E-03 2.1180642E-03 7.9901132E-04 2.2600869E-04 25 1.1216696E+01 6.7433456E-06 -1.8413082E-05 -3.4496098E-04 -1.5879974E-02 1.6014985E-02 8.2935994E-03 2.5109421E-03 26 6.9291713E+00 -4.0518742E-06 1.0247027E-05 -1.2924059E-05 -9.6466495E-03 1.4050725E-02 7.6109907E-03 2.3086034E-03 27 4.1267626E+00 2.3381985E-06 -4.7098856E-06 -1.7506019E-06 -1.6594694E-03 -1.5054759E-03 -1.3108964E-03 -4.0643774E-04 28 2.4158729E+00 -1.4459230E-06 2.2593823E-06 2.3273043E-06 -5.0527721E-05 -8.5676332E-03 -6.9877750E-03 -2.2852160E-03 29 1.4153691E+00 9.5962544E-07 -1.3153980E-06 -2.4933568E-08 -1.3879323E-05 -3.8170518E-03 -4.7480244E-03 -1.6962719E-03 30 8.4517663E-01 -6.0010371E-07 6.9335804E-07 8.5332672E-08 2.9439183E-06 -4.8364733E-04 5.3462885E-04 2.8181265E-04 31 4.7543331E-01 3.4677487E-07 -3.3880647E-07 -1.4576288E-08 -9.5939483E-07 -3.3122887E-05 2.8825667E-03 1.2579080E-03 32 2.6884052E-01 -2.1087557E-07 1.8022048E-07 -3.9920827E-08 6.3378373E-07 3.8789582E-06 1.8876824E-03 1.2275929E-03 33 1.4408405E-01 1.4008786E-07 -1.0396993E-07 3.4073605E-08 -2.4276891E-07 -2.4012971E-06 3.2476376E-04 5.2577696E-04 34 8.8418964E-02 -8.5326599E-08 5.7752544E-08 -2.6877218E-08 1.2372604E-07 1.0310505E-06 -2.0466695E-06 -3.7671345E-04 35 4.4870324E-02 3.4802740E-08 -2.1106796E-08 1.3372644E-08 -3.7419818E-08 -2.7819893E-07 3.1311581E-06 -7.3659259E-04 36 2.4238512E-02 -1.5260114E-08 8.5203423E-09 -6.4719065E-09 1.1773385E-08 8.5349446E-08 -1.1192621E-06 -4.6452283E-04 37 1.2957507E-02 3.8319382E-09 -2.0043100E-09 1.7767439E-09 -2.4018343E-09 -1.3469593E-08 7.1807064E-08 -7.1735693E-05 2p- 3p- 4p- 5p- 6p- 7p- 1 7.3182779E+07 -8.9516225E-06 4.6122555E-06 -2.3640736E-06 1.0945112E-06 -4.2550764E-07 1.0384231E-07 2 2.6089769E+07 -3.3539289E-05 1.7286052E-05 -8.8628972E-06 4.1050005E-06 -1.5961661E-06 3.8949645E-07 3 9.5297328E+06 -7.6651401E-05 3.9526601E-05 -2.0264391E-05 9.3827614E-06 -3.6477869E-06 8.9021099E-07 4 3.6600644E+06 -1.4959547E-04 7.7195056E-05 -3.9591635E-05 1.8339287E-05 -7.1311252E-06 1.7401307E-06 5 1.4635706E+06 -2.7519633E-04 1.4216384E-04 -7.2914023E-05 3.3762693E-05 -1.3126149E-05 3.2033640E-06 6 6.0613475E+05 -4.9176515E-04 2.5440919E-04 -1.3056492E-04 6.0491299E-05 -2.3522924E-05 5.7399949E-06 7 2.5903128E+05 -8.6826792E-04 4.5013272E-04 -2.3105876E-04 1.0700884E-04 -4.1603426E-05 1.0153258E-05 8 1.1399497E+05 -1.5273898E-03 7.9396963E-04 -4.0795510E-04 1.8907080E-04 -7.3528786E-05 1.7942186E-05 9 5.1588928E+04 -2.6883834E-03 1.4026240E-03 -7.2107302E-04 3.3405913E-04 -1.2988465E-04 3.1698782E-05 10 2.4003062E+04 -4.7242217E-03 2.4765465E-03 -1.2751226E-03 5.9129314E-04 -2.2997923E-04 5.6118632E-05 11 1.1489822E+04 -8.2224387E-03 4.3397847E-03 -2.2372398E-03 1.0371470E-03 -4.0329935E-04 9.8429181E-05 12 5.6641636E+03 -1.3960813E-02 7.4425992E-03 -3.8479660E-03 1.7862954E-03 -6.9492941E-04 1.6957553E-04 13 2.8764168E+03 -2.2608028E-02 1.2247097E-02 -6.3539325E-03 2.9500530E-03 -1.1474712E-03 2.8006740E-04 14 1.5036986E+03 -3.3645242E-02 1.8677358E-02 -9.7556200E-03 4.5409126E-03 -1.7675937E-03 4.3133548E-04 15 8.0749065E+02 -4.3541615E-02 2.4959850E-02 -1.3134356E-02 6.1184084E-03 -2.3812970E-03 5.8129571E-04 16 4.4413349E+02 -4.5156087E-02 2.6519738E-02 -1.4071949E-02 6.5804042E-03 -2.5643162E-03 6.2571632E-04 17 2.4950778E+02 -3.2849638E-02 1.6658647E-02 -8.2747820E-03 3.7787109E-03 -1.4633945E-03 3.5730457E-04 18 1.4213966E+02 -1.3650721E-02 -5.7068283E-03 5.9967903E-03 -3.1692427E-03 1.2620200E-03 -3.0935391E-04 19 8.1649158E+01 -2.0266996E-03 -2.5910640E-02 2.1105921E-02 -1.0996322E-02 4.3828462E-03 -1.0716124E-03 20 4.7811197E+01 3.5400978E-04 -2.4966138E-02 2.1292565E-02 -1.1123131E-02 4.4223808E-03 -1.0830757E-03 21 2.7891171E+01 3.5063900E-04 -9.8036312E-03 7.6698452E-04 1.1259473E-03 -5.6889980E-04 1.4424099E-04 22 1.5990892E+01 2.3885072E-04 -1.3049779E-03 -1.5942812E-02 1.2193699E-02 -5.2588051E-03 1.2958363E-03 23 9.2767269E+00 1.5386850E-04 -5.4607768E-05 -1.2716595E-02 1.1053857E-02 -4.9319693E-03 1.2249203E-03 24 5.3424985E+00 1.0518933E-04 -1.6678127E-06 -3.2115796E-03 -1.2921403E-03 1.1978342E-03 -3.1841977E-04 25 3.0427043E+00 6.8758498E-05 -6.3669628E-08 -2.1051357E-04 -8.2223647E-03 4.9909204E-03 -1.2729404E-03 26 1.7198799E+00 4.6607856E-05 1.0526735E-06 -3.9243913E-06 -5.0153187E-03 3.5222898E-03 -9.3596479E-04 27 9.5405338E-01 3.0644387E-05 -3.0534262E-07 6.9461811E-06 -9.7730301E-04 -8.1162489E-04 2.8593225E-04 28 5.0604988E-01 2.1538564E-05 1.5017934E-07 3.3254896E-06 -5.5909847E-05 -2.9827071E-03 9.0087366E-04 29 2.6796428E-01 1.1177283E-05 -7.0975500E-08 2.2521486E-06 -2.3101781E-06 -1.9121255E-03 7.7335020E-04 30 1.4281275E-01 9.4903759E-06 2.9594470E-08 1.5247660E-06 -3.2520109E-07 -4.3271929E-04 2.5455005E-04 31 7.2473572E-02 3.3123538E-06 -1.1276926E-08 6.2264136E-07 9.6305410E-08 -3.2285735E-05 -5.3116144E-04 32 3.7058393E-02 5.2898785E-06 3.8830821E-09 8.9971299E-07 -1.3016912E-07 -2.0911105E-06 -7.9553126E-04 33 1.9107648E-02 -8.5667519E-07 -1.0631634E-09 -1.4259966E-07 3.6004482E-08 -7.9187878E-07 -4.0403605E-04 34 9.8582561E-03 3.3113664E-06 1.5033784E-11 5.7467298E-07 -7.7723040E-08 7.9027135E-08 -4.8022332E-05 2p+ 3p+ 4p+ 5p+ 6p+ 7p+ 1 7.3182779E+07 -9.5765212E-08 5.1145687E-08 -2.6168194E-08 1.1921028E-08 -4.4171120E-09 1.1336039E-09 2 2.6089769E+07 -4.8634943E-07 2.6113736E-07 -1.3566762E-07 6.2478057E-08 -2.3206880E-08 5.9138960E-09 3 9.5297328E+06 -1.5942503E-06 8.5311558E-07 -4.3891350E-07 2.0074186E-07 -7.4447936E-08 1.9056996E-08 4 3.6600644E+06 -4.8121388E-06 2.5815474E-06 -1.3374827E-06 6.1474158E-07 -2.2823983E-07 5.8237069E-08 5 1.4635706E+06 -1.3826904E-05 7.4055634E-06 -3.8178340E-06 1.7486296E-06 -6.4871363E-07 1.6590259E-07 6 6.0613475E+05 -3.8195955E-05 2.0487116E-05 -1.0600226E-05 4.8674339E-06 -1.8067757E-06 4.6130719E-07 7 2.5903128E+05 -1.0158587E-04 5.4457061E-05 -2.8106052E-05 1.2882436E-05 -4.7799620E-06 1.2218783E-06 8 1.1399497E+05 -2.6044963E-04 1.3980256E-04 -7.2304174E-05 3.3186950E-05 -1.2317711E-05 3.1459475E-06 9 5.1588928E+04 -6.4252323E-04 3.4512521E-04 -1.7828964E-04 8.1755648E-05 -3.0337969E-05 7.7534894E-06 10 2.4003062E+04 -1.5178887E-03 8.1746664E-04 -4.2301477E-04 1.9415774E-04 -7.2063229E-05 1.8407741E-05 11 1.1489822E+04 -3.4033527E-03 1.8399643E-03 -9.5225372E-04 4.3690022E-04 -1.6214359E-04 4.1435422E-05 12 5.6641636E+03 -7.1569854E-03 3.9004731E-03 -2.0242294E-03 9.2970242E-04 -3.4511057E-04 8.8161217E-05 13 2.8764168E+03 -1.3896362E-02 7.6779425E-03 -3.9958815E-03 1.8359216E-03 -6.8154244E-04 1.7416570E-04 14 1.5036986E+03 -2.4283339E-02 1.3740843E-02 -7.2000956E-03 3.3148081E-03 -1.2310555E-03 3.1449955E-04 15 8.0749065E+02 -3.6581449E-02 2.1421561E-02 -1.1317131E-02 5.2188809E-03 -1.9387888E-03 4.9549946E-04 16 4.4413349E+02 -4.4538487E-02 2.7273025E-02 -1.4609282E-02 6.7642029E-03 -2.5149478E-03 6.4250998E-04 17 2.4950778E+02 -3.9310462E-02 2.3954007E-02 -1.2752409E-02 5.8874375E-03 -2.1874935E-03 5.5923821E-04 18 1.4213966E+02 -2.1506469E-02 5.8036307E-03 -1.6056462E-03 5.6328303E-04 -1.9620817E-04 4.9349039E-05 19 8.1649158E+01 -5.7234668E-03 -1.8306524E-02 1.5230155E-02 -7.8212190E-03 2.9680695E-03 -7.5931340E-04 20 4.7811197E+01 -4.8602865E-04 -2.6539796E-02 2.3296842E-02 -1.2139114E-02 4.6165852E-03 -1.1833584E-03 21 2.7891171E+01 -2.9683892E-05 -1.4082542E-02 8.4902903E-03 -3.6805400E-03 1.3456999E-03 -3.4185947E-04 22 1.5990892E+01 1.2388286E-05 -2.7757818E-03 -1.1488692E-02 8.5063041E-03 -3.4563697E-03 8.8914661E-04 23 9.2767269E+00 -3.1951307E-06 -1.2624049E-04 -1.4504789E-02 1.2427415E-02 -5.2493262E-03 1.3609050E-03 24 5.3424985E+00 2.2819442E-06 -2.0078784E-05 -5.2318969E-03 2.6507827E-03 -8.4657648E-04 2.0852021E-04 25 3.0427043E+00 -1.2150779E-06 7.8903788E-06 -5.8831787E-04 -6.6762975E-03 3.6813236E-03 -9.7147976E-04 26 1.7198799E+00 4.9053655E-07 -2.0594521E-06 -2.5346504E-05 -6.0397330E-03 3.9854417E-03 -1.0899646E-03 27 9.5405338E-01 -2.4262833E-07 1.1908025E-06 9.7305462E-08 -1.7302395E-03 5.4923240E-04 -1.1948504E-04 28 5.0604988E-01 1.0314697E-07 -4.7309837E-07 -2.2696213E-08 -1.4874097E-04 -2.2834647E-03 6.8142212E-04 29 2.6796428E-01 -4.8632659E-08 2.1159541E-07 2.2384816E-07 -4.7798315E-06 -2.1770821E-03 8.0516472E-04 30 1.4281275E-01 2.2387038E-08 -9.3815613E-08 -8.8888119E-08 1.0760912E-08 -7.8053355E-04 4.9130290E-04 31 7.2473572E-02 -9.7051261E-09 3.8902512E-08 2.8665944E-08 1.6366624E-07 -1.0210778E-04 -2.6815452E-04 32 3.7058393E-02 4.2838559E-09 -1.5962204E-08 -1.4621218E-08 5.3441486E-08 -4.6228319E-06 -7.4089864E-04 33 1.9107648E-02 -1.6288820E-09 5.5980273E-09 4.1505675E-09 5.0807700E-09 -2.0592546E-06 -5.1132016E-04 34 9.8582561E-03 3.8470539E-10 -1.1772577E-09 -9.1972732E-10 2.4440142E-09 8.7142588E-09 -9.6448323E-05 3d- 4d- 5d- 1 3.6363772E+05 -2.6382853E-06 1.4458817E-06 -5.9728989E-07 2 8.4471675E+04 -1.3812294E-05 7.5507982E-06 -3.1258281E-06 3 2.6760208E+04 -5.6587311E-05 3.1059521E-05 -1.2839907E-05 4 1.0084314E+04 -2.0048705E-04 1.0994750E-04 -4.5527171E-05 5 4.2845385E+03 -6.2682680E-04 3.4522689E-04 -1.4286689E-04 6 1.9897682E+03 -1.7484488E-03 9.6516364E-04 -4.0012518E-04 7 9.8967189E+02 -4.2985381E-03 2.3915698E-03 -9.9202849E-04 8 5.1868856E+02 -9.1429300E-03 5.1298661E-03 -2.1340149E-03 9 2.8300411E+02 -1.6509894E-02 9.4247741E-03 -3.9313878E-03 10 1.5940839E+02 -2.4150403E-02 1.3845445E-02 -5.7860616E-03 11 9.1697601E+01 -2.6991824E-02 1.5091152E-02 -6.2660363E-03 12 5.3692336E+01 -2.0901677E-02 9.2368978E-03 -3.5414027E-03 13 3.1599978E+01 -9.7041669E-03 -3.5769327E-03 2.6591197E-03 14 1.8490637E+01 -2.2637686E-03 -1.3272720E-02 7.2102536E-03 15 1.0827366E+01 -1.8333299E-04 -1.3072390E-02 7.1080305E-03 16 6.3206076E+00 -2.3713049E-06 -6.2011844E-03 1.2465265E-03 17 3.6457723E+00 8.2159332E-06 -1.3346148E-03 -4.7705233E-03 18 2.0553207E+00 2.8258706E-06 -9.4474756E-05 -6.1903281E-03 19 1.1321279E+00 2.1935598E-06 -2.8313530E-07 -3.3636882E-03 20 6.0844286E-01 6.5276063E-07 1.2722028E-06 -9.4767353E-04 21 2.6444538E-01 6.3696231E-07 4.5640429E-07 -6.4060928E-05 3d+ 4d+ 5d+ 1 3.6363772E+05 -4.9363437E-07 2.7228604E-07 -1.1073437E-07 2 8.4471675E+04 -4.4130910E-06 2.4045338E-06 -9.9122781E-07 3 2.6760208E+04 -2.5910498E-05 1.4218968E-05 -5.8198219E-06 4 1.0084314E+04 -1.1665494E-04 6.3824846E-05 -2.6242004E-05 5 4.2845385E+03 -4.2839841E-04 2.3548729E-04 -9.6585186E-05 6 1.9897682E+03 -1.3351283E-03 7.3524842E-04 -3.0244541E-04 7 9.8967189E+02 -3.5579550E-03 1.9750373E-03 -8.1217398E-04 8 5.1868856E+02 -8.0337999E-03 4.4975870E-03 -1.8561556E-03 9 2.8300411E+02 -1.5175977E-02 8.6506439E-03 -3.5780987E-03 10 1.5940839E+02 -2.3053215E-02 1.3240474E-02 -5.4943783E-03 11 9.1697601E+01 -2.6785027E-02 1.5118417E-02 -6.2401712E-03 12 5.3692336E+01 -2.1703411E-02 1.0193804E-02 -3.9782075E-03 13 3.1599978E+01 -1.0642314E-02 -2.1388167E-03 1.9298219E-03 14 1.8490637E+01 -2.6864487E-03 -1.2404487E-02 6.6990383E-03 15 1.0827366E+01 -2.6371144E-04 -1.3255592E-02 7.2158158E-03 16 6.3206076E+00 -2.0174952E-05 -6.7271623E-03 1.8798518E-03 17 3.6457723E+00 9.2327173E-07 -1.5651684E-03 -4.1834236E-03 18 2.0553207E+00 -7.4684311E-07 -1.2525307E-04 -6.1378806E-03 19 1.1321279E+00 2.7970601E-07 -2.7227918E-06 -3.5753888E-03 20 6.0844286E-01 -9.0359366E-08 7.3134452E-07 -1.0963219E-03 21 2.6444538E-01 7.6566922E-09 1.3536571E-07 -8.5020338E-05 4f- 1 3.6745073E+03 -1.6715608E-05 2 1.2081620E+03 -1.1452614E-04 3 5.1026706E+02 -5.0154441E-04 4 2.4359038E+02 -1.6604205E-03 5 1.2589418E+02 -4.1919354E-03 6 6.8036993E+01 -8.1535591E-03 7 3.7981552E+01 -1.2423756E-02 8 2.1542824E+01 -1.4027202E-02 9 1.2249691E+01 -1.1834839E-02 10 6.9241349E+00 -6.9741503E-03 11 3.8201017E+00 -2.5199525E-03 12 1.9946900E+00 -4.0905776E-04 13 7.7610685E-01 -1.0327632E-05 14 3.7157633E-01 7.5968912E-07 4f+ 1 3.6745073E+03 -1.2462097E-05 2 1.2081620E+03 -9.6027656E-05 3 5.1026706E+02 -4.4818101E-04 4 2.4359038E+02 -1.5343369E-03 5 1.2589418E+02 -3.9717202E-03 6 6.8036993E+01 -7.8799897E-03 7 3.7981552E+01 -1.2142283E-02 8 2.1542824E+01 -1.3878683E-02 9 1.2249691E+01 -1.1908410E-02 10 6.9241349E+00 -7.1388438E-03 11 3.8201017E+00 -2.6377005E-03 12 1.9946900E+00 -4.4720782E-04 13 7.7610685E-01 -1.2612293E-05 14 3.7157633E-01 8.8060410E-07 Spin-free Dirac-Hartree-Fock basis sets ======================================= ** Fr 223 ** Large component functions ------------------------- 1s 2s 3s 4s 5s 6s 7s 1 5.8437105E+07 3.2501255E-04 -1.3129679E-04 6.3662267E-05 -3.2600595E-05 1.5469570E-05 -6.2453932E-06 1.5433678E-06 2 1.5557955E+07 7.5592484E-04 -3.0668820E-04 1.4881160E-04 -7.6217500E-05 3.6168352E-05 -1.4602180E-05 3.6084973E-06 3 5.3280440E+06 1.4700101E-03 -5.9923747E-04 2.9099323E-04 -1.4907030E-04 7.0743290E-05 -2.8561032E-05 7.0580686E-06 4 2.0309186E+06 2.5999244E-03 -1.0676748E-03 5.1910156E-04 -2.6600118E-04 1.2624528E-04 -5.0970616E-05 1.2595878E-05 5 8.5037471E+05 4.5071178E-03 -1.8666187E-03 9.0881812E-04 -4.6587786E-04 2.2112467E-04 -8.9276350E-05 2.2062430E-05 6 3.7834640E+05 7.6115819E-03 -3.1881355E-03 1.5551029E-03 -7.9750008E-04 3.7857867E-04 -1.5285841E-04 3.7774275E-05 7 1.7787824E+05 1.2783867E-02 -5.4227431E-03 2.6506049E-03 -1.3601108E-03 6.4571907E-04 -2.6070752E-04 6.4428872E-05 8 8.7171515E+04 2.1290877E-02 -9.1726293E-03 4.4949235E-03 -2.3076580E-03 1.0958052E-03 -4.4250124E-04 1.0934903E-04 9 4.4314434E+04 3.5239864E-02 -1.5457382E-02 7.5977017E-03 -3.9042613E-03 1.8541853E-03 -7.4863326E-04 1.8501849E-04 10 2.3193795E+04 5.7518807E-02 -2.5822719E-02 1.2743087E-02 -6.5530714E-03 3.1132877E-03 -1.2574272E-03 3.1071979E-04 11 1.2442666E+04 9.1490875E-02 -4.2376372E-02 2.1030420E-02 -1.0834386E-02 5.1483749E-03 -2.0786993E-03 5.1377582E-04 12 6.8044519E+03 1.3848185E-01 -6.7178122E-02 3.3624518E-02 -1.7350126E-02 8.2511160E-03 -3.3338391E-03 8.2376198E-04 13 3.7833472E+03 1.9042487E-01 -9.8930762E-02 5.0183984E-02 -2.6005615E-02 1.2374051E-02 -4.9961741E-03 1.2351143E-03 14 2.1409948E+03 2.2018826E-01 -1.2551639E-01 6.4859367E-02 -3.3718349E-02 1.6073570E-02 -6.5018985E-03 1.6061044E-03 15 1.2415766E+03 1.9112804E-01 -1.1492552E-01 6.0056139E-02 -3.1428253E-02 1.4971457E-02 -6.0341025E-03 1.4934962E-03 16 7.4828874E+02 1.0915984E-01 -3.4791860E-02 1.3019542E-02 -5.8123745E-03 2.7110632E-03 -1.1283182E-03 2.7331081E-04 17 4.7458137E+02 3.9087726E-02 1.0548734E-01 -8.3111575E-02 4.7373335E-02 -2.3249619E-02 9.5348979E-03 -2.3474680E-03 18 3.0182197E+02 8.1836118E-03 2.9085471E-01 -2.5091480E-01 1.5002866E-01 -7.3909100E-02 2.9948474E-02 -7.4282909E-03 19 1.8838503E+02 3.0341250E-04 3.9013940E-01 -4.0547224E-01 2.5168494E-01 -1.2597370E-01 5.1682753E-02 -1.2760514E-02 20 1.1665143E+02 1.5051356E-04 2.6733965E-01 -3.0935304E-01 2.0752589E-01 -1.0571459E-01 4.2985927E-02 -1.0697052E-02 21 7.2781769E+01 -1.2603460E-04 8.1549818E-02 1.5081702E-01 -1.4809632E-01 8.0997045E-02 -3.3102796E-02 8.3012174E-03 22 4.5911008E+01 3.7173194E-05 9.4424012E-03 5.9453829E-01 -6.8411646E-01 4.0993022E-01 -1.7531327E-01 4.3491663E-02 23 2.8691585E+01 -4.4435859E-05 4.7666257E-04 4.8495422E-01 -6.8311048E-01 4.0891763E-01 -1.7171172E-01 4.2889469E-02 24 1.7806141E+01 2.8346160E-05 -7.5863905E-05 1.5212528E-01 6.3956843E-02 -5.7482318E-02 2.0062513E-02 -5.1446145E-03 25 1.0637534E+01 -1.1304131E-05 -1.5093741E-04 1.6106728E-02 8.0824374E-01 -8.0693209E-01 3.9711273E-01 -1.0039269E-01 26 6.4135017E+00 1.0187376E-05 3.0932101E-06 5.5786824E-04 5.4915931E-01 -8.1020103E-01 4.2004532E-01 -1.0777913E-01 27 3.8188259E+00 -6.0736530E-06 -8.5796433E-06 1.7558057E-04 1.0461409E-01 2.0416612E-01 -1.5196455E-01 4.0680584E-02 28 2.2075723E+00 3.0605657E-06 1.9101264E-05 -2.6987726E-04 5.6622253E-03 8.6710840E-01 -6.7559980E-01 1.8242860E-01 29 1.2791878E+00 -2.0303593E-06 -4.3683975E-06 4.0939759E-05 7.0840446E-04 4.7466733E-01 -5.6731341E-01 1.6977205E-01 30 7.1098881E-01 1.0585170E-06 3.3738019E-06 -4.1349244E-05 5.9162504E-05 6.4610539E-02 1.8308992E-01 -7.4723843E-02 31 3.8125537E-01 -5.5460165E-07 -2.3037486E-06 2.7333116E-05 -7.4212300E-05 9.5232573E-04 7.1305688E-01 -2.5114742E-01 32 1.9933542E-01 3.2774088E-07 9.6239017E-07 -1.1101579E-05 -8.0040326E-06 6.2634463E-04 4.8771358E-01 -2.7589680E-01 33 9.3680787E-02 -2.4805604E-07 -8.8032841E-07 1.0334784E-05 -1.4898567E-05 -1.6479820E-04 7.2650399E-02 -1.9950104E-01 34 5.6434652E-02 2.0236713E-07 7.0141537E-07 -8.2192577E-06 9.9513174E-06 1.4129773E-04 -8.7855615E-03 2.2862504E-01 35 2.9350377E-02 -1.2025948E-07 -4.1530844E-07 4.8696773E-06 -5.7725963E-06 -8.2488300E-05 3.5723911E-03 4.9877210E-01 36 1.8037285E-02 6.3106899E-08 2.1969676E-07 -2.5755936E-06 3.2472448E-06 3.7934901E-05 -1.1265969E-03 4.2039871E-01 37 1.0318977E-02 -1.3368644E-08 -4.5920583E-08 5.3878364E-07 -6.1488564E-07 -9.3854430E-06 2.8938264E-04 1.3818208E-01 2p 3p 4p 5p 6p 7p 1 7.2214733E+07 3.5475611E-06 -1.8547620E-06 9.4995517E-07 -4.3074877E-07 1.5222629E-07 -2.6564218E-08 2 2.5507917E+07 1.3654744E-05 -7.1388354E-06 3.6565560E-06 -1.6581421E-06 5.8598434E-07 -1.0225597E-07 3 9.2643844E+06 3.1156375E-05 -1.6292709E-05 8.3450824E-06 -3.7840559E-06 1.3372853E-06 -2.3336276E-07 4 3.5369058E+06 6.3592468E-05 -3.3267901E-05 1.7042902E-05 -7.7288517E-06 2.7313805E-06 -4.7663315E-07 5 1.4063325E+06 1.2390833E-04 -6.4864845E-05 3.3231381E-05 -1.5069308E-05 5.3255615E-06 -9.2934032E-07 6 5.7933186E+05 2.3859552E-04 -1.2504710E-04 6.4091483E-05 -2.9069196E-05 1.0273271E-05 -1.7927066E-06 7 2.4607655E+05 4.6185736E-04 -2.4251041E-04 1.2432720E-04 -5.6385719E-05 1.9927682E-05 -3.4775272E-06 8 1.0762406E+05 9.1317124E-04 -4.8095167E-04 2.4681881E-04 -1.1198626E-04 3.9578908E-05 -6.9065622E-06 9 4.8474695E+04 1.8734155E-03 -9.9110402E-04 5.0899153E-04 -2.3092688E-04 8.1620682E-05 -1.4243677E-05 10 2.2489491E+04 4.0337803E-03 -2.1474709E-03 1.1050409E-03 -5.0173867E-04 1.7734882E-04 -3.0947452E-05 11 1.0749409E+04 9.0759901E-03 -4.8714933E-03 2.5104057E-03 -1.1398485E-03 4.0294456E-04 -7.0319909E-05 12 5.2971066E+03 2.0839669E-02 -1.1313528E-02 5.8501731E-03 -2.6595588E-03 9.4027900E-04 -1.6408013E-04 13 2.6915444E+03 4.7017497E-02 -2.5953248E-02 1.3466350E-02 -6.1243366E-03 2.1657029E-03 -3.7796179E-04 14 1.4090236E+03 9.9070140E-02 -5.6092632E-02 2.9316889E-02 -1.3363827E-02 4.7270851E-03 -8.2490389E-04 15 7.5823627E+02 1.8304527E-01 -1.0726589E-01 5.6504492E-02 -2.5790213E-02 9.1265687E-03 -1.5929116E-03 16 4.1811717E+02 2.7374086E-01 -1.6681196E-01 8.9009530E-02 -4.0797540E-02 1.4445187E-02 -2.5208268E-03 17 2.3548376E+02 2.9312620E-01 -1.7020243E-01 8.8660791E-02 -4.0281108E-02 1.4244328E-02 -2.4864350E-03 18 1.3442622E+02 1.9027011E-01 -1.0994160E-02 -1.5708393E-02 9.7262840E-03 -3.6279036E-03 6.3707681E-04 19 7.7303622E+01 5.7660243E-02 2.9999231E-01 -2.4653962E-01 1.2536362E-01 -4.5263445E-02 7.9091844E-03 20 4.5328559E+01 5.2072851E-03 4.6456158E-01 -4.0498109E-01 2.0823930E-01 -7.5367813E-02 1.3181493E-02 21 2.6514615E+01 4.2799445E-04 2.8150214E-01 -1.2389499E-01 4.0972734E-02 -1.3175125E-02 2.2707922E-03 22 1.5325745E+01 -2.7750556E-04 6.3627874E-02 4.0226546E-01 -2.9325583E-01 1.1305444E-01 -1.9846086E-02 23 8.9644651E+00 6.6246070E-05 4.0355317E-03 5.5582759E-01 -4.7268690E-01 1.9021993E-01 -3.3560780E-02 24 5.2083215E+00 -7.0806299E-05 5.1984620E-04 2.4464707E-01 -8.9750712E-02 1.9290059E-02 -3.1120579E-03 25 2.9611039E+00 4.7809838E-05 -2.1591905E-04 3.4283278E-02 4.8790087E-01 -2.5383162E-01 4.5493069E-02 26 1.6612203E+00 -2.1437061E-05 2.5447780E-06 1.5924715E-03 5.5132657E-01 -3.4047394E-01 6.2513842E-02 27 9.1033510E-01 1.5129579E-05 -3.4766960E-05 1.4115567E-04 1.9557630E-01 -4.3713989E-02 6.2351589E-03 28 4.8156914E-01 -8.4361402E-06 1.4101278E-05 -7.0023041E-05 2.0485854E-02 3.7559259E-01 -7.5596836E-02 29 2.5086437E-01 5.5174941E-06 -8.1720533E-06 -2.2018034E-06 1.7413603E-03 4.9341140E-01 -1.0683538E-01 30 1.3293077E-01 -3.8523430E-06 5.7806055E-06 -6.3168606E-06 -1.9713081E-04 2.6564194E-01 -1.0190908E-01 31 7.2740869E-02 2.4545008E-06 -3.6734947E-06 4.2438365E-06 1.5856647E-04 5.5878256E-02 -3.6683557E-02 32 3.6276380E-02 -1.4695468E-06 2.1606013E-06 -1.7524480E-06 -1.2683710E-04 6.0701171E-03 2.0283840E-01 33 1.9435731E-02 9.4628839E-07 -1.3996714E-06 1.4016930E-06 7.1056090E-05 -1.9677047E-04 4.8541240E-01 34 1.0637485E-02 -4.6045690E-07 6.7764171E-07 -6.1341361E-07 -3.7293579E-05 5.1515154E-04 3.6834331E-01 35 5.8410599E-03 1.2298111E-07 -1.8139304E-07 1.7400037E-07 9.6375310E-06 -7.6876782E-05 6.6221197E-02 3d 4d 5d 1 2.7978606E+05 3.6790147E-06 -1.9977888E-06 8.0258239E-07 2 6.5442154E+04 1.9367879E-05 -1.0519926E-05 4.2291144E-06 3 2.0897003E+04 8.9414485E-05 -4.8695179E-05 1.9570571E-05 4 7.9148628E+03 3.9070584E-04 -2.1303872E-04 8.5720130E-05 5 3.3880641E+03 1.5946017E-03 -8.7322755E-04 3.5135585E-04 6 1.5891864E+03 5.9336761E-03 -3.2619556E-03 1.3146952E-03 7 7.9816648E+02 1.9410736E-02 -1.0759145E-02 4.3403674E-03 8 4.2157263E+02 5.4223586E-02 -3.0379574E-02 1.2293306E-02 9 2.3152269E+02 1.2572242E-01 -7.1692802E-02 2.9095383E-02 10 1.3098720E+02 2.2894275E-01 -1.3039237E-01 5.2945792E-02 11 7.5695081E+01 3.0982512E-01 -1.6953804E-01 6.8179988E-02 12 4.4571605E+01 2.7705900E-01 -9.9432627E-02 3.3493780E-02 13 2.6373972E+01 1.4616126E-01 1.2393752E-01 -7.4643910E-02 14 1.5468210E+01 3.8193427E-02 3.5653349E-01 -1.8638336E-01 15 9.1089202E+00 3.5538330E-03 3.9197477E-01 -2.0268444E-01 16 5.3279681E+00 5.4180331E-04 2.1420292E-01 2.0695729E-03 17 3.0621704E+00 -8.6013958E-05 5.2359873E-02 2.9101340E-01 18 1.7248355E+00 5.3003886E-05 4.0361227E-03 4.3976707E-01 19 9.4444264E-01 -2.4817805E-05 1.5763739E-04 2.9734507E-01 20 5.1058455E-01 1.0866954E-05 -1.1115752E-04 1.1226172E-01 21 2.1739844E-01 -1.3564705E-06 -1.7246482E-05 1.3278648E-02 4f 1 3.3407821E+03 3.5456899E-05 2 1.1022655E+03 3.6374131E-04 3 4.6685541E+02 2.3172692E-03 4 2.2346487E+02 1.0758114E-02 5 1.1572915E+02 3.6805615E-02 6 6.2618590E+01 9.5540387E-02 7 3.4992576E+01 1.9029158E-01 8 1.9833606E+01 2.7968969E-01 9 1.1258079E+01 3.0850285E-01 10 6.3430570E+00 2.3771652E-01 11 3.4832182E+00 1.1383281E-01 12 1.8066607E+00 2.5394407E-02 13 6.8991025E-01 1.0709804E-03 14 3.2240268E-01 -1.0102995E-04 Pseudo-large component functions -------------------------------- 1s 2s 3s 4s 5s 6s 7s 1 5.8437105E+07 7.5315578E-06 -3.0337029E-06 1.4702430E-06 -7.5280852E-07 3.5720838E-07 -1.4420998E-07 3.5637484E-08 2 1.5557955E+07 4.8849209E-05 -1.9679244E-05 9.5374829E-06 -4.8833670E-06 2.3171930E-06 -9.3551095E-07 2.3118201E-07 3 5.3280440E+06 1.5545663E-04 -6.2673613E-05 3.0378617E-05 -1.5555520E-05 7.3811520E-06 -2.9798480E-06 7.3639079E-07 4 2.0309186E+06 4.4531826E-04 -1.7969202E-04 8.7111539E-05 -4.4605047E-05 2.1165959E-05 -8.5454404E-06 2.1117169E-06 5 8.5037471E+05 1.1011993E-03 -4.4500004E-04 2.1578639E-04 -1.1050860E-04 5.2437644E-05 -2.1169219E-05 5.2314851E-06 6 3.7834640E+05 2.5924826E-03 -1.0498867E-03 5.0929391E-04 -2.6081543E-04 1.2376882E-04 -4.9971940E-05 1.2348682E-05 7 1.7787824E+05 5.6442654E-03 -2.2939149E-03 1.1135130E-03 -5.7042624E-04 2.7068792E-04 -1.0927433E-04 2.7005292E-05 8 8.7171515E+04 1.1804873E-02 -4.8251742E-03 2.3446727E-03 -1.2011898E-03 5.7009635E-04 -2.3019638E-04 5.6882905E-05 9 4.4314434E+04 2.3312497E-02 -9.6201248E-03 4.6832660E-03 -2.4010383E-03 1.1395636E-03 -4.6001771E-04 1.1369040E-04 10 2.3193795E+04 4.4032968E-02 -1.8459856E-02 9.0134119E-03 -4.6228601E-03 2.1948355E-03 -8.8638657E-04 2.1902302E-04 11 1.2442666E+04 7.8135519E-02 -3.3628091E-02 1.6504561E-02 -8.4801393E-03 4.0267597E-03 -1.6255095E-03 4.0176595E-04 12 6.8044519E+03 1.2881754E-01 -5.7887359E-02 2.8651500E-02 -1.4743418E-02 7.0066857E-03 -2.8307230E-03 6.9941668E-04 13 3.7833472E+03 1.8821408E-01 -9.0568342E-02 4.5459159E-02 -2.3498262E-02 1.1173465E-02 -4.5105907E-03 1.1150730E-03 14 2.1409948E+03 2.2758136E-01 -1.2048938E-01 6.1707162E-02 -3.2011782E-02 1.5252182E-02 -6.1691260E-03 1.5238563E-03 15 1.2415766E+03 2.0302697E-01 -1.1468385E-01 5.9716448E-02 -3.1228750E-02 1.4873926E-02 -5.9947069E-03 1.4837148E-03 16 7.4828874E+02 1.1838845E-01 -3.8500569E-02 1.5767319E-02 -7.3818938E-03 3.4771708E-03 -1.4391435E-03 3.5025439E-04 17 4.7458137E+02 4.2412540E-02 1.0130168E-01 -7.8520602E-02 4.4579058E-02 -2.1864750E-02 8.9699043E-03 -2.2077765E-03 18 3.0182197E+02 9.3428974E-03 2.8907229E-01 -2.4589958E-01 1.4659656E-01 -7.2158530E-02 2.9231239E-02 -7.2505398E-03 19 1.8838503E+02 -1.9565184E-05 3.9299210E-01 -4.0348942E-01 2.4994013E-01 -1.2504522E-01 5.1298074E-02 -1.2665316E-02 20 1.1665143E+02 5.0616649E-04 2.7057763E-01 -3.1096718E-01 2.0848955E-01 -1.0617682E-01 4.3173198E-02 -1.0743131E-02 21 7.2781769E+01 -4.7804058E-04 8.2986945E-02 1.4808822E-01 -1.4488498E-01 7.9100737E-02 -3.2299904E-02 8.1012790E-03 22 4.5911008E+01 3.6484789E-04 9.4460364E-03 5.9496206E-01 -6.8237564E-01 4.0863602E-01 -1.7474237E-01 4.3349238E-02 23 2.8691585E+01 -3.2929100E-04 6.0733132E-04 4.8637151E-01 -6.8361925E-01 4.0916938E-01 -1.7181495E-01 4.2914762E-02 24 1.7806141E+01 2.5902697E-04 -1.7827667E-04 1.5276886E-01 6.2934663E-02 -5.6552884E-02 1.9635751E-02 -5.0370926E-03 25 1.0637534E+01 -1.9645706E-04 -7.0156201E-05 1.6122526E-02 8.0833974E-01 -8.0632816E-01 3.9674327E-01 -1.0029679E-01 26 6.4135017E+00 1.6390695E-04 -6.4540231E-05 5.9537236E-04 5.4966471E-01 -8.1042641E-01 4.2014919E-01 -1.0780537E-01 27 3.8188259E+00 -1.2693251E-04 4.4812956E-05 1.4664413E-04 1.0470301E-01 2.0397876E-01 -1.5179490E-01 4.0634633E-02 28 2.2075723E+00 9.6920813E-05 -2.2313276E-05 -2.4753885E-04 5.6789659E-03 8.6716176E-01 -6.7552881E-01 1.8240519E-01 29 1.2791878E+00 -7.3435360E-05 2.7234073E-05 2.3587235E-05 7.0035379E-04 4.7477361E-01 -5.6734892E-01 1.6978103E-01 30 7.1098881E-01 5.2386780E-05 -1.9376500E-05 -2.8812316E-05 6.4875354E-05 6.4614467E-02 1.8307414E-01 -7.4714667E-02 31 3.8125537E-01 -3.8584477E-05 1.4568759E-05 1.8017622E-05 -7.8357348E-05 9.5921902E-04 7.1306115E-01 -2.5114449E-01 32 1.9933542E-01 2.9887874E-05 -1.2167593E-05 -3.8253072E-06 -4.8624803E-06 6.2123847E-04 4.8772755E-01 -2.7589764E-01 33 9.3680787E-02 -3.3707094E-05 1.3993481E-05 2.0772715E-06 -1.8429923E-05 -1.5899834E-04 7.2649647E-02 -1.9950112E-01 34 5.6434652E-02 3.5663157E-05 -1.5069090E-05 5.4573710E-07 1.3680360E-05 1.3515641E-04 -8.7829061E-03 2.2862355E-01 35 2.9350377E-02 -3.0462860E-05 1.3085011E-05 -2.6416600E-06 -8.9549556E-06 -7.7233730E-05 3.5699769E-03 4.9877251E-01 36 1.8037285E-02 2.1526813E-05 -9.3326113E-06 2.7424777E-06 5.4957289E-06 3.4217004E-05 -1.1248565E-03 4.2039912E-01 37 1.0318977E-02 -6.6096713E-06 2.8904384E-06 -1.0969005E-06 -1.3052670E-06 -8.2424163E-06 2.8884241E-04 1.3818250E-01 2p 3p 4p 5p 6p 7p 1 7.2214733E+07 2.0811762E-08 -1.0889424E-08 5.5734843E-09 -2.5254380E-09 8.9252231E-10 -1.5576891E-10 2 2.5507917E+07 1.3653014E-07 -7.1491955E-08 3.6656987E-08 -1.6634249E-08 5.8784791E-09 -1.0257143E-09 3 9.2643844E+06 5.5357495E-07 -2.9003835E-07 1.4853067E-07 -6.7320558E-08 2.3792121E-08 -4.1522273E-09 4 3.5369058E+06 1.9295744E-06 -1.0123587E-06 5.1930678E-07 -2.3567241E-07 8.3287605E-08 -1.4532634E-08 5 1.4063325E+06 6.3496327E-06 -3.3358511E-06 1.7094299E-06 -7.7491368E-07 2.7387467E-07 -4.7796996E-08 6 5.7933186E+05 2.0391204E-05 -1.0735482E-05 5.5113607E-06 -2.5016160E-06 8.8411633E-07 -1.5426821E-07 7 2.4607655E+05 6.4864384E-05 -3.4220407E-05 1.7554610E-05 -7.9601828E-06 2.8134607E-06 -4.9100657E-07 8 1.0762406E+05 2.0449184E-04 -1.0818123E-04 5.5597140E-05 -2.5240799E-05 8.9210600E-06 -1.5566492E-06 9 4.8474695E+04 6.3555088E-04 -3.3718427E-04 1.7322073E-04 -7.8579914E-05 2.7775065E-05 -4.8472744E-06 10 2.2489491E+04 1.9294982E-03 -1.0277761E-03 5.2902976E-04 -2.4025460E-04 8.4921982E-05 -1.4818452E-05 11 1.0749409E+04 5.6384257E-03 -3.0198252E-03 1.5550772E-03 -7.0589212E-04 2.4953278E-04 -4.3548089E-05 12 5.2971066E+03 1.5551358E-02 -8.4057998E-03 4.3422765E-03 -1.9736877E-03 6.9775288E-04 -1.2175677E-04 13 2.6915444E+03 3.9571023E-02 -2.1716366E-02 1.1251398E-02 -5.1149895E-03 1.8086627E-03 -3.1565177E-04 14 1.4090236E+03 8.9902583E-02 -5.0589114E-02 2.6402504E-02 -1.2031410E-02 4.2554790E-03 -7.4259770E-04 15 7.5823627E+02 1.7379840E-01 -1.0127471E-01 5.3277927E-02 -2.4309476E-02 8.6020807E-03 -1.5013686E-03 16 4.1811717E+02 2.6685131E-01 -1.6194929E-01 8.6343686E-02 -3.9568319E-02 1.4009401E-02 -2.4447641E-03 17 2.3548376E+02 2.8965133E-01 -1.6819201E-01 8.7701701E-02 -3.9858637E-02 1.4095951E-02 -2.4605526E-03 18 1.3442622E+02 1.8809611E-01 -1.1686695E-02 -1.4742318E-02 9.2079382E-03 -3.4391327E-03 6.0405366E-04 19 7.7303622E+01 5.5005862E-02 2.9889410E-01 -2.4485981E-01 1.2442761E-01 -4.4919837E-02 7.8490520E-03 20 4.5328559E+01 2.3896058E-03 4.6507222E-01 -4.0460680E-01 2.0799502E-01 -7.5276990E-02 1.3165579E-02 21 2.6514615E+01 -2.1748965E-03 2.8229529E-01 -1.2475578E-01 4.1535794E-02 -1.3387851E-02 2.3081142E-03 22 1.5325745E+01 -2.5489349E-03 6.3907408E-02 4.0153375E-01 -2.9263023E-01 1.1280445E-01 -1.9802048E-02 23 8.9644651E+00 -1.8784469E-03 4.0947369E-03 5.5568393E-01 -4.7245457E-01 1.9012253E-01 -3.3543560E-02 24 5.2083215E+00 -1.8381364E-03 5.8217449E-04 2.4450834E-01 -8.9818571E-02 1.9344344E-02 -3.1220099E-03 25 2.9611039E+00 -1.5378757E-03 -1.7610167E-04 3.4028604E-02 4.8790680E-01 -2.5379476E-01 4.5485956E-02 26 1.6612203E+00 -1.4169877E-03 4.9772046E-05 1.3483517E-03 5.5141044E-01 -3.4048225E-01 6.2514842E-02 27 9.1033510E-01 -1.2756975E-03 -6.7039574E-07 -8.6631750E-05 1.9564317E-01 -4.3752817E-02 6.2425417E-03 28 4.8156914E-01 -1.1242745E-03 5.0886827E-05 -2.6610871E-04 2.0517323E-02 3.7556667E-01 -7.5591477E-02 29 2.5086437E-01 -1.0147701E-03 1.9142618E-05 -1.8221189E-04 1.7735808E-03 4.9339198E-01 -1.0683108E-01 30 1.3293077E-01 -6.8153694E-04 2.8920374E-05 -1.2531509E-04 -1.8019260E-04 2.6563333E-01 -1.0190679E-01 31 7.2740869E-02 -8.6221847E-04 1.9612323E-05 -1.4828690E-04 1.8562525E-04 5.5860776E-02 -3.6680986E-02 32 3.6276380E-02 -3.3247558E-04 1.4148700E-05 -5.9801682E-05 -1.1914601E-04 6.0648957E-03 2.0283863E-01 33 1.9435731E-02 -1.0594809E-03 2.8325183E-05 -1.8552916E-04 1.0321397E-04 -2.1846761E-04 4.8541524E-01 34 1.0637485E-02 5.1308839E-04 -1.3331030E-05 8.9956830E-05 -5.3199093E-05 5.2587237E-04 3.6834218E-01 35 5.8410599E-03 -1.2876893E-03 3.7709442E-05 -2.2664188E-04 4.7141267E-05 -1.0223480E-04 6.6224662E-02 3d 4d 5d 1 2.7978606E+05 3.2182401E-07 -1.7537435E-07 7.0381221E-08 2 6.5442154E+04 4.2422730E-06 -2.3040719E-06 9.2724146E-07 3 2.0897003E+04 3.6304931E-05 -1.9797052E-05 7.9540812E-06 4 7.9148628E+03 2.3511082E-04 -1.2812151E-04 5.1559397E-05 5 3.3880641E+03 1.2052024E-03 -6.5949055E-04 2.6528006E-04 6 1.5891864E+03 5.0875836E-03 -2.7930490E-03 1.1254587E-03 7 7.9816648E+02 1.7840967E-02 -9.8761359E-03 3.9829514E-03 8 4.2157263E+02 5.1790006E-02 -2.8976888E-02 1.1722618E-02 9 2.3152269E+02 1.2270207E-01 -6.9895019E-02 2.8359420E-02 10 1.3098720E+02 2.2611097E-01 -1.2869182E-01 5.2249081E-02 11 7.5695081E+01 3.0799824E-01 -1.6852495E-01 6.7775424E-02 12 4.4571605E+01 2.7634880E-01 -9.9427616E-02 3.3554232E-02 13 2.6373972E+01 1.4578545E-01 1.2343873E-01 -7.4340862E-02 14 1.5468210E+01 3.7857897E-02 3.5612032E-01 -1.8611865E-01 15 9.1089202E+00 3.2639865E-03 3.9186512E-01 -2.0261648E-01 16 5.3279681E+00 3.4926814E-04 2.1417359E-01 1.9870422E-03 17 3.0621704E+00 -2.2967409E-04 5.2310827E-02 2.9092244E-01 18 1.7248355E+00 -3.2587854E-05 3.9876111E-03 4.3972952E-01 19 9.4444264E-01 -9.3880453E-05 1.2195373E-04 2.9733059E-01 20 5.1058455E-01 -2.3355824E-05 -1.3108356E-04 1.1225354E-01 21 2.1739844E-01 -4.5979595E-05 -4.1392150E-05 1.3262295E-02 4f 1 3.3407821E+03 2.5112466E-05 2 1.1022655E+03 3.1608244E-04 3 4.6685541E+02 2.1683434E-03 4 2.2346487E+02 1.0408737E-02 5 1.1572915E+02 3.6193703E-02 6 6.2618590E+01 9.4723703E-02 7 3.4992576E+01 1.8947712E-01 8 1.9833606E+01 2.7909015E-01 9 1.1258079E+01 3.0818083E-01 10 6.3430570E+00 2.3759011E-01 11 3.4832182E+00 1.1378512E-01 12 1.8066607E+00 2.5363139E-02 13 6.8991025E-01 1.0558285E-03 14 3.2240268E-01 -1.0453159E-04 Foldy-Wouthuysen functions -------------------------- 1s 2s 3s 4s 5s 6s 7s 1 5.8437105E+07 8.2611057E-04 -3.3899798E-04 1.6463768E-04 -8.4361416E-05 4.0031505E-05 -1.6162913E-05 3.9940353E-06 2 1.5557955E+07 1.7828390E-03 -7.3290239E-04 3.5603298E-04 -1.8244305E-04 8.6575358E-05 -3.4956138E-05 8.6379668E-06 3 5.3280440E+06 3.1593733E-03 -1.3014252E-03 6.3242498E-04 -3.2411682E-04 1.5380793E-04 -6.2100006E-05 1.5345795E-05 4 2.0309186E+06 5.1543631E-03 -2.1319150E-03 1.0366358E-03 -5.3131441E-04 2.5214508E-04 -1.0181049E-04 2.5157928E-05 5 8.5037471E+05 8.1742478E-03 -3.3988833E-03 1.6542155E-03 -8.4810960E-04 4.0251150E-04 -1.6250906E-04 4.0158962E-05 6 3.7834640E+05 1.2646672E-02 -5.3013771E-03 2.5837219E-03 -1.3248380E-03 6.2884391E-04 -2.5393418E-04 6.2748307E-05 7 1.7787824E+05 1.9442478E-02 -8.2357053E-03 4.0218480E-03 -2.0635478E-03 9.7962235E-04 -3.9553162E-04 9.7750316E-05 8 8.7171515E+04 2.9752783E-02 -1.2782112E-02 6.2583737E-03 -3.2118189E-03 1.5249274E-03 -6.1584687E-04 1.5217682E-04 9 4.4314434E+04 4.5587327E-02 -1.9938640E-02 9.7970312E-03 -5.0335927E-03 2.3898756E-03 -9.6475785E-04 2.3843725E-04 10 2.3193795E+04 6.9631289E-02 -3.1192126E-02 1.5395367E-02 -7.9155555E-03 3.7602907E-03 -1.5188330E-03 3.7528989E-04 11 1.2442666E+04 1.0495965E-01 -4.8592159E-02 2.4136848E-02 -1.2441426E-02 5.9130137E-03 -2.3872392E-03 5.9006793E-04 12 6.8044519E+03 1.5230517E-01 -7.4013830E-02 3.7093759E-02 -1.9145374E-02 9.1067296E-03 -3.6800633E-03 9.0926549E-04 13 3.7833472E+03 2.0253755E-01 -1.0575562E-01 5.3737424E-02 -2.7859940E-02 1.3258188E-02 -5.3527220E-03 1.3233422E-03 14 2.1409948E+03 2.2761641E-01 -1.3093262E-01 6.7836321E-02 -3.5278336E-02 1.6820721E-02 -6.8054177E-03 1.6809825E-03 15 1.2415766E+03 1.9228751E-01 -1.1710255E-01 6.1471845E-02 -3.2210760E-02 1.5347772E-02 -6.1842210E-03 1.5309074E-03 16 7.4828874E+02 1.0649882E-01 -3.3147285E-02 1.2298915E-02 -5.4304750E-03 2.5333849E-03 -1.0602943E-03 2.5603651E-04 17 4.7458137E+02 3.6661762E-02 1.0937455E-01 -8.5544687E-02 4.8681850E-02 -2.3886101E-02 9.7982612E-03 -2.4118902E-03 18 3.0182197E+02 7.1440467E-03 2.9546261E-01 -2.5499244E-01 1.5254513E-01 -7.5153380E-02 3.0449628E-02 -7.5530711E-03 19 1.8838503E+02 -3.2448756E-05 3.9210816E-01 -4.0855093E-01 2.5373526E-01 -1.2702160E-01 5.2119382E-02 -1.2867826E-02 20 1.1665143E+02 4.1070484E-05 2.6649751E-01 -3.0918763E-01 2.0780364E-01 -1.0591549E-01 4.3068142E-02 -1.0718527E-02 21 7.2781769E+01 -1.8591367E-04 8.0564357E-02 1.5342316E-01 -1.5006927E-01 8.2029708E-02 -3.3522545E-02 8.4063441E-03 22 4.5911008E+01 1.1462972E-05 9.1541525E-03 5.9629573E-01 -6.8639835E-01 4.1136430E-01 -1.7593558E-01 4.3645636E-02 23 2.8691585E+01 -6.1406753E-05 4.0546185E-04 4.8471897E-01 -6.8326335E-01 4.0903710E-01 -1.7175812E-01 4.2902096E-02 24 1.7806141E+01 2.1804315E-05 -9.5623994E-05 1.5173782E-01 6.5005311E-02 -5.8092876E-02 2.0303081E-02 -5.2048209E-03 25 1.0637534E+01 -1.5576503E-05 -1.6331123E-04 1.6004707E-02 8.0884361E-01 -8.0762774E-01 3.9747852E-01 -1.0048542E-01 26 6.4135017E+00 8.8205118E-06 -3.2123117E-07 5.3351190E-04 5.4902535E-01 -8.1020633E-01 4.2005918E-01 -1.0778371E-01 27 3.8188259E+00 -7.1886687E-06 -1.1623636E-05 1.6759287E-04 1.0452288E-01 2.0445313E-01 -1.5212315E-01 4.0721664E-02 28 2.2075723E+00 2.6821633E-06 1.8009646E-05 -2.6977976E-04 5.6425885E-03 8.6720189E-01 -6.7568599E-01 1.8245250E-01 29 1.2791878E+00 -2.3947459E-06 -5.5720820E-06 3.9455552E-05 7.0655114E-04 4.7463241E-01 -5.6730532E-01 1.6977188E-01 30 7.1098881E-01 9.4259170E-07 3.2821203E-06 -4.1465737E-05 5.6729839E-05 6.4596415E-02 1.8312576E-01 -7.4735945E-02 31 3.8125537E-01 -6.7394508E-07 -2.5216207E-06 2.6838724E-05 -7.3380142E-05 9.4936755E-04 7.1306823E-01 -2.5115058E-01 32 1.9933542E-01 2.8239034E-07 9.4351888E-07 -1.1109004E-05 -8.6699385E-06 6.2644986E-04 4.8771044E-01 -2.7589756E-01 33 9.3680787E-02 -2.7888402E-07 -9.6266680E-07 1.0264317E-05 -1.4701134E-05 -1.6528180E-04 7.2648547E-02 -1.9950100E-01 34 5.6434652E-02 1.9646155E-07 7.0292687E-07 -8.1753791E-06 9.6808706E-06 1.4158683E-04 -8.7861624E-03 2.2862685E-01 35 2.9350377E-02 -1.3129109E-07 -4.4302333E-07 4.8045375E-06 -5.6376309E-06 -8.2721079E-05 3.5725515E-03 4.9877244E-01 36 1.8037285E-02 6.0891958E-08 2.2324872E-07 -2.5583879E-06 3.1630639E-06 3.8009733E-05 -1.1265474E-03 4.2039864E-01 37 1.0318977E-02 -1.6661334E-08 -5.3282662E-08 5.3038874E-07 -6.0453547E-07 -9.4089855E-06 2.8932864E-04 1.3818194E-01 2p 3p 4p 5p 6p 7p 1 7.2214733E+07 2.3062618E-06 -1.1896378E-06 6.0875469E-07 -2.7613632E-07 9.7688102E-08 -1.7049289E-08 2 2.5507917E+07 1.1866468E-05 -6.1534757E-06 3.1476580E-06 -1.4261586E-06 5.0363685E-07 -8.7877931E-08 3 9.2643844E+06 2.8270743E-05 -1.4678338E-05 7.5144638E-06 -3.4082593E-06 1.2052289E-06 -2.1033476E-07 4 3.5369058E+06 6.0367706E-05 -3.1383599E-05 1.6062224E-05 -7.2788622E-06 2.5706452E-06 -4.4854621E-07 5 1.4063325E+06 1.2318624E-04 -6.4176371E-05 3.2876622E-05 -1.4913448E-05 5.2736211E-06 -9.2034383E-07 6 5.7933186E+05 2.4871580E-04 -1.2988232E-04 6.6540229E-05 -3.0163481E-05 1.0653903E-05 -1.8589934E-06 7 2.4607655E+05 5.0196273E-04 -2.6301257E-04 1.3488762E-04 -6.1199557E-05 2.1640170E-05 -3.7766023E-06 8 1.0762406E+05 1.0222392E-03 -5.3776406E-04 2.7596431E-04 -1.2516617E-04 4.4217952E-05 -7.7156638E-06 9 4.8474695E+04 2.1207103E-03 -1.1214497E-03 5.7622086E-04 -2.6152344E-04 9.2470310E-05 -1.6137725E-05 10 2.2489491E+04 4.5335055E-03 -2.4128057E-03 1.2416212E-03 -5.6362414E-04 1.9916606E-04 -3.4753532E-05 11 1.0749409E+04 1.0001550E-02 -5.3673627E-03 2.7668354E-03 -1.2565843E-03 4.4431426E-04 -7.7541291E-05 12 5.2971066E+03 2.2437082E-02 -1.2179590E-02 6.2983012E-03 -2.8629799E-03 1.0120610E-03 -1.7660395E-04 13 2.6915444E+03 4.9572848E-02 -2.7370887E-02 1.4205389E-02 -6.4613842E-03 2.2851377E-03 -3.9880886E-04 14 1.4090236E+03 1.0269853E-01 -5.8189351E-02 3.0420131E-02 -1.3866503E-02 4.9045950E-03 -8.5587679E-04 15 7.5823627E+02 1.8725759E-01 -1.0987289E-01 5.7902745E-02 -2.6432322E-02 9.3544208E-03 -1.6326877E-03 16 4.1811717E+02 2.7720564E-01 -1.6923424E-01 9.0361682E-02 -4.1423519E-02 1.4666842E-02 -2.5595084E-03 17 2.3548376E+02 2.9445852E-01 -1.7124948E-01 8.9263215E-02 -4.0561979E-02 1.4344701E-02 -2.5039729E-03 18 1.3442622E+02 1.8989210E-01 -1.0067601E-02 -1.6326250E-02 1.0022006E-02 -3.7340272E-03 6.5563137E-04 19 7.7303622E+01 5.7165519E-02 3.0169045E-01 -2.4788371E-01 1.2605323E-01 -4.5512631E-02 7.9527265E-03 20 4.5328559E+01 5.0785104E-03 4.6527576E-01 -4.0578573E-01 2.0867587E-01 -7.5527530E-02 1.3209464E-02 21 2.6514615E+01 4.1218158E-04 2.8128241E-01 -1.2347933E-01 4.0726413E-02 -1.3084176E-02 2.2548384E-03 22 1.5325745E+01 -2.8229772E-04 6.3477182E-02 4.0280828E-01 -2.9361964E-01 1.1319431E-01 -1.9870625E-02 23 8.9644651E+00 6.5168408E-05 4.0009481E-03 5.5596379E-01 -4.7286961E-01 1.9029948E-01 -3.3574916E-02 24 5.2083215E+00 -7.1496112E-05 5.2032576E-04 2.4455685E-01 -8.9622351E-02 1.9232490E-02 -3.1017971E-03 25 2.9611039E+00 4.7548118E-05 -2.1900458E-04 3.4262965E-02 4.8800697E-01 -2.5388420E-01 4.5502455E-02 26 1.6612203E+00 -2.1488889E-05 3.5424882E-06 1.5851727E-03 5.5134076E-01 -3.4049169E-01 6.2517318E-02 27 9.1033510E-01 1.5121968E-05 -3.5619031E-05 1.4278565E-04 1.9555929E-01 -4.3698294E-02 6.2321504E-03 28 4.8156914E-01 -8.4413169E-06 1.4466612E-05 -7.1378741E-05 2.0484299E-02 3.7560356E-01 -7.5598913E-02 29 2.5086437E-01 5.5143492E-06 -8.4496749E-06 -1.4506501E-06 1.7399727E-03 4.9341458E-01 -1.0683616E-01 30 1.3293077E-01 -3.8546418E-06 5.9677670E-06 -6.8833594E-06 -1.9651694E-04 2.6564043E-01 -1.0190931E-01 31 7.2740869E-02 2.4537452E-06 -3.7950617E-06 4.5875611E-06 1.5812562E-04 5.5877924E-02 -3.6683475E-02 32 3.6276380E-02 -1.4694383E-06 2.2318776E-06 -1.9671470E-06 -1.2659223E-04 6.0699149E-03 2.0283895E-01 33 1.9435731E-02 9.4609570E-07 -1.4460458E-06 1.5400954E-06 7.0899417E-05 -1.9670561E-04 4.8541280E-01 34 1.0637485E-02 -4.6039862E-07 6.9968102E-07 -6.8163711E-07 -3.7218212E-05 5.1509753E-04 3.6834325E-01 35 5.8410599E-03 1.2294067E-07 -1.8729199E-07 1.9220718E-07 9.6179484E-06 -7.6862822E-05 6.6221142E-02 3d 4d 5d 1 2.7978606E+05 4.0702589E-06 -2.2101370E-06 8.8651773E-07 2 6.5442154E+04 2.1732348E-05 -1.1778743E-05 4.7385407E-06 3 2.0897003E+04 9.9790974E-05 -5.4341311E-05 2.1824844E-05 4 7.9148628E+03 4.2463675E-04 -2.3133900E-04 9.3105517E-05 5 3.3880641E+03 1.6892976E-03 -9.2485813E-04 3.7203176E-04 6 1.5891864E+03 6.1684095E-03 -3.3901072E-03 1.3664456E-03 7 7.9816648E+02 1.9919105E-02 -1.1040691E-02 4.4536959E-03 8 4.2157263E+02 5.5135430E-02 -3.0893879E-02 1.2502233E-02 9 2.3152269E+02 1.2703667E-01 -7.2462285E-02 2.9408945E-02 10 1.3098720E+02 2.3031791E-01 -1.3120846E-01 5.3281165E-02 11 7.5695081E+01 3.1076660E-01 -1.7010351E-01 6.8413615E-02 12 4.4571605E+01 2.7730546E-01 -9.9442254E-02 3.3479638E-02 13 2.6373972E+01 1.4608798E-01 1.2431458E-01 -7.4837329E-02 14 1.5468210E+01 3.8131439E-02 3.5685498E-01 -1.8655154E-01 15 9.1089202E+00 3.5417311E-03 3.9207711E-01 -2.0275101E-01 16 5.3279681E+00 5.4043651E-04 2.1417992E-01 2.1269082E-03 17 3.0621704E+00 -8.6113809E-05 5.2343543E-02 2.9107615E-01 18 1.7248355E+00 5.2896839E-05 4.0328324E-03 4.3979676E-01 19 9.4444264E-01 -2.4798794E-05 1.5757347E-04 2.9734386E-01 20 5.1058455E-01 1.0849061E-05 -1.1126823E-04 1.1225974E-01 21 2.1739844E-01 -1.3537484E-06 -1.7243387E-05 1.3278090E-02 4f 1 3.3407821E+03 3.7825647E-05 2 1.1022655E+03 3.7559881E-04 3 4.6685541E+02 2.3602414E-03 4 2.2346487E+02 1.0876184E-02 5 1.1572915E+02 3.7043920E-02 6 6.2618590E+01 9.5892194E-02 7 3.4992576E+01 1.9068012E-01 8 1.9833606E+01 2.7997441E-01 9 1.1258079E+01 3.0864959E-01 10 6.3430570E+00 2.3775216E-01 11 3.4832182E+00 1.1383081E-01 12 1.8066607E+00 2.5391204E-02 13 6.8991025E-01 1.0709499E-03 14 3.2240268E-01 -1.0116590E-04 ** Ra 226 ** Large component functions ------------------------- 1s 2s 3s 4s 5s 6s 7s 1 5.8063745E+07 3.4731207E-04 -1.4102667E-04 6.8475813E-05 -3.5166207E-05 1.6854427E-05 7.0850442E-06 2.0692978E-06 2 1.5456539E+07 8.0645972E-04 -3.2889879E-04 1.5981524E-04 -8.2088782E-05 3.9345221E-05 1.6539687E-05 4.8306869E-06 3 5.2902553E+06 1.5653856E-03 -6.4151022E-04 3.1196767E-04 -1.6027519E-04 7.6824411E-05 3.2295072E-05 9.4323059E-06 4 2.0139873E+06 2.7659757E-03 -1.1420728E-03 5.5609071E-04 -2.8577971E-04 1.3699244E-04 5.7590030E-05 1.6820211E-05 5 8.4100059E+05 4.8003772E-03 -1.9993735E-03 9.7491079E-04 -5.0120452E-04 2.4028443E-04 1.0101277E-04 2.9502562E-05 6 3.7222700E+05 8.1495544E-03 -3.4339219E-03 1.6776342E-03 -8.6285495E-04 4.1370849E-04 1.7392891E-04 5.0799611E-05 7 1.7339801E+05 1.3825329E-02 -5.9027323E-03 2.8899280E-03 -1.4872484E-03 7.1320287E-04 2.9983455E-04 8.7572425E-05 8 8.3843273E+04 2.3356755E-02 -1.0135362E-02 4.9757120E-03 -2.5621583E-03 1.2288337E-03 5.1666934E-04 1.5090670E-04 9 4.1893009E+04 3.9285303E-02 -1.7377193E-02 8.5579688E-03 -4.4108491E-03 2.1160580E-03 8.8964722E-04 2.5983987E-04 10 2.1503090E+04 6.5018773E-02 -2.9489022E-02 1.4587550E-02 -7.5254553E-03 3.6109660E-03 1.5185009E-03 4.4353052E-04 11 1.1316750E+04 1.0375784E-01 -4.8708931E-02 2.4242730E-02 -1.2529353E-02 6.0153053E-03 2.5291854E-03 7.3870544E-04 12 6.1012610E+03 1.5404389E-01 -7.6116565E-02 3.8259401E-02 -1.9813966E-02 9.5167270E-03 4.0035635E-03 1.1694593E-03 13 3.3802236E+03 2.0073676E-01 -1.0684027E-01 5.4469416E-02 -2.8335202E-02 1.3628138E-02 5.7304026E-03 1.6736737E-03 14 1.9375255E+03 2.1193933E-01 -1.2339203E-01 6.4129404E-02 -3.3463017E-02 1.6100637E-02 6.7824032E-03 1.9816888E-03 15 1.1622306E+03 1.6488560E-01 -9.6899516E-02 5.0192866E-02 -2.6322828E-02 1.2699299E-02 5.3236182E-03 1.5537893E-03 16 7.4041380E+02 9.0100151E-02 -2.1075073E-02 5.6384073E-03 -1.8424021E-03 7.0940201E-04 3.3372918E-04 9.9972665E-05 17 4.8927196E+02 3.8157366E-02 1.0312699E-01 -8.2247154E-02 4.7063796E-02 -2.3147023E-02 -9.8752180E-03 -2.8922758E-03 18 3.0925510E+02 8.3171915E-03 3.0244940E-01 -2.6081039E-01 1.5640351E-01 -7.8191856E-02 -3.3058046E-02 -9.6614382E-03 19 1.9033412E+02 3.1007052E-04 3.9788902E-01 -4.2022363E-01 2.6273756E-01 -1.3247074E-01 -5.6517347E-02 -1.6547635E-02 20 1.1620696E+02 1.0395945E-04 2.6356792E-01 -2.9051196E-01 1.9522966E-01 -1.0161028E-01 -4.3235495E-02 -1.2645811E-02 21 6.9524001E+01 -1.0580377E-04 7.1167943E-02 2.3708396E-01 -2.3375746E-01 1.3320300E-01 5.7675468E-02 1.6913037E-02 22 4.4016782E+01 3.6405405E-05 2.0315997E-03 6.0824045E-01 -7.3322595E-01 4.4591239E-01 1.9897136E-01 5.8665718E-02 23 2.7864480E+01 -4.6364079E-05 2.5935221E-03 4.1863460E-01 -5.8534474E-01 3.5446405E-01 1.5475581E-01 4.5418630E-02 24 1.7888079E+01 3.4697193E-05 -1.5202580E-03 1.2513632E-01 9.7143262E-02 -7.9397605E-02 -2.9538827E-02 -8.3334707E-03 25 1.1216696E+01 -1.6171312E-05 7.1698989E-04 1.6270894E-02 7.5188669E-01 -7.5803765E-01 -3.9275458E-01 -1.1867406E-01 26 6.9291713E+00 1.2535243E-05 -5.0443003E-04 7.1473829E-04 5.7873777E-01 -8.4342168E-01 -4.5528153E-01 -1.3777670E-01 27 4.1267626E+00 -7.1583482E-06 2.8256848E-04 2.1628571E-04 1.2823242E-01 1.1708681E-01 1.0232540E-01 3.1675194E-02 28 2.4158729E+00 3.9261592E-06 -1.6199164E-04 -2.9889528E-04 5.0728840E-03 8.7325107E-01 7.0913639E-01 2.3145349E-01 29 1.4153691E+00 -2.9411637E-06 1.1652921E-04 5.7179594E-05 1.8427057E-03 5.0814010E-01 6.3165317E-01 2.2560469E-01 30 8.4517663E-01 1.8036435E-06 -7.2028747E-05 -6.2174799E-05 -4.6819496E-04 8.2027646E-02 -9.1929538E-02 -5.0119372E-02 31 4.7543331E-01 -1.0225420E-06 4.1373427E-05 4.0722793E-05 2.0529874E-04 7.5126686E-03 -6.5929654E-01 -2.8643417E-01 32 2.6884052E-01 6.4204018E-07 -2.5636308E-05 -1.8900767E-05 -1.7916091E-04 -1.2814860E-03 -5.7798526E-01 -3.7144561E-01 33 1.4408405E-01 -4.1477595E-07 1.6716288E-05 1.4760940E-05 8.6966040E-05 1.0771814E-03 -1.3569204E-01 -2.1991557E-01 34 8.8418964E-02 2.4963973E-07 -1.0046538E-05 -8.5191048E-06 -5.5073251E-05 -5.8673377E-04 1.3576342E-03 1.9611869E-01 35 4.4870324E-02 -9.7715008E-08 3.9312751E-06 3.2828808E-06 2.1585946E-05 2.2648064E-04 -2.2222070E-03 5.4763131E-01 36 2.4238512E-02 3.9707563E-08 -1.6025566E-06 -1.4149973E-06 -8.2400483E-06 -9.2936489E-05 1.1692596E-03 4.7516071E-01 37 1.2957507E-02 -9.0344926E-09 3.6329684E-07 2.9782872E-07 2.0208403E-06 2.0768637E-05 -8.5702856E-05 1.0176754E-01 2p 3p 4p 5p 6p 7p 1 7.3182779E+07 3.5870079E-06 -1.8794238E-06 9.6614580E-07 -4.4384082E-07 1.6697357E-07 -4.1724436E-08 2 2.6089769E+07 1.4028814E-05 -7.3501411E-06 3.7786478E-06 -1.7359940E-06 6.5309695E-07 -1.6319555E-07 3 9.5297328E+06 3.1998199E-05 -1.6768817E-05 8.6206927E-06 -3.9603440E-06 1.4898919E-06 -3.7230342E-07 4 3.6600644E+06 6.5031104E-05 -3.4093673E-05 1.7530215E-05 -8.0541727E-06 3.0300888E-06 -7.5715400E-07 5 1.4635706E+06 1.2616343E-04 -6.6187075E-05 3.4034345E-05 -1.5636055E-05 5.8823617E-06 -1.4699355E-06 6 6.0613475E+05 2.4143009E-04 -1.2680416E-04 6.5230760E-05 -2.9974165E-05 1.1277045E-05 -2.8178613E-06 7 2.5903128E+05 4.6322379E-04 -2.4374201E-04 1.2542205E-04 -5.7629283E-05 2.1680897E-05 -5.4179286E-06 8 1.1399497E+05 9.0745699E-04 -4.7893583E-04 2.4668076E-04 -1.1339199E-04 4.2664245E-05 -1.0660573E-05 9 5.1588928E+04 1.8450948E-03 -9.7807310E-04 5.0416123E-04 -2.3174048E-04 8.7189588E-05 -2.1789001E-05 10 2.4003062E+04 3.9353471E-03 -2.0991683E-03 1.0840825E-03 -4.9867844E-04 1.8765855E-04 -4.6889633E-05 11 1.1489822E+04 8.7744825E-03 -4.7183805E-03 2.4405059E-03 -1.1226789E-03 4.2245708E-04 -1.0557870E-04 12 5.6641636E+03 2.0018352E-02 -1.0886054E-02 5.6490606E-03 -2.6018024E-03 9.7933960E-04 -2.4470350E-04 13 2.8764168E+03 4.5071281E-02 -2.4909520E-02 1.2971172E-02 -5.9766419E-03 2.2496789E-03 -5.6226499E-04 14 1.5036986E+03 9.5300886E-02 -5.3990164E-02 2.8310244E-02 -1.3073604E-02 4.9236730E-03 -1.2302810E-03 15 8.0749065E+02 1.7777346E-01 -1.0415369E-01 5.5045957E-02 -2.5453962E-02 9.5878127E-03 -2.3966107E-03 16 4.4413349E+02 2.7001188E-01 -1.6451203E-01 8.8039546E-02 -4.0878288E-02 1.5412692E-02 -3.8511103E-03 17 2.4950778E+02 2.9576139E-01 -1.7355021E-01 9.1126693E-02 -4.2001557E-02 1.5807248E-02 -3.9525752E-03 18 1.4213966E+02 1.9793047E-01 -2.3397404E-02 -7.6940404E-03 5.9983673E-03 -2.4393174E-03 6.1961376E-04 19 8.1649158E+01 6.2669773E-02 2.8552266E-01 -2.3570307E-01 1.2151672E-01 -4.6793712E-02 1.1710130E-02 20 4.7811197E+01 6.0807859E-03 4.6696897E-01 -4.0899873E-01 2.1352538E-01 -8.2316921E-02 2.0640944E-02 21 2.7891171E+01 4.6410324E-04 2.9473138E-01 -1.4331372E-01 5.2782959E-02 -1.8726033E-02 4.6117547E-03 22 1.5990892E+01 -2.8212857E-04 6.8343992E-02 4.0172432E-01 -2.9924568E-01 1.2373592E-01 -3.1154988E-02 23 9.2767269E+00 6.8859504E-05 3.7585280E-03 5.6778634E-01 -4.9148490E-01 2.1131692E-01 -5.3642368E-02 24 5.3424985E+00 -7.4417140E-05 7.1176363E-04 2.4143533E-01 -7.7444152E-02 1.3853663E-02 -2.7906033E-03 25 3.0427043E+00 5.3211161E-05 -3.5668082E-04 3.1276522E-02 5.1083018E-01 -2.8918035E-01 7.4859186E-02 26 1.7198799E+00 -2.5548109E-05 8.5387455E-05 1.8074356E-03 5.4004874E-01 -3.6668625E-01 9.8694090E-02 27 9.5405338E-01 1.7506921E-05 -7.9532501E-05 -6.6935251E-05 1.8370705E-01 -1.8609859E-02 -2.8476831E-04 28 5.0604988E-01 -9.7159470E-06 4.0726878E-05 1.4450374E-05 1.8938738E-02 4.3737343E-01 -1.2950362E-01 29 2.6796428E-01 6.0390941E-06 -2.4078361E-05 -5.2076595E-05 9.0868195E-04 5.0383496E-01 -1.8945023E-01 30 1.4281275E-01 -3.6075071E-06 1.4307228E-05 2.7832017E-05 -1.1703173E-06 2.1494753E-01 -1.3859384E-01 31 7.2473572E-02 2.0355506E-06 -8.1488509E-06 -1.2823736E-05 -7.2229737E-05 3.2914874E-02 1.5956427E-01 32 3.7058393E-02 -1.1323508E-06 4.4680389E-06 8.8373469E-06 -2.1133718E-05 2.3301579E-03 4.8724249E-01 33 1.9107648E-02 5.2233511E-07 -2.0807237E-06 -3.5255520E-06 -8.1558326E-06 1.3388850E-03 4.2638372E-01 34 9.8582561E-03 -1.4121408E-07 5.5834416E-07 1.0600096E-06 -1.0002992E-06 -3.8600252E-06 9.7298926E-02 3d 4d 5d 1 3.6363772E+05 2.7926844E-06 -1.5253230E-06 6.2763697E-07 2 8.4471675E+04 1.4493477E-05 -7.9148116E-06 3.2601340E-06 3 2.6760208E+04 6.4935962E-05 -3.5564420E-05 1.4637356E-05 4 1.0084314E+04 2.7499510E-04 -1.5069239E-04 6.2127634E-05 5 4.2845385E+03 1.1103718E-03 -6.1122227E-04 2.5182958E-04 6 1.9897682E+03 4.1736327E-03 -2.3038508E-03 9.5123097E-04 7 9.8967189E+02 1.4034823E-02 -7.8092742E-03 3.2252743E-03 8 5.1868856E+02 4.0766263E-02 -2.2876225E-02 9.4781499E-03 9 2.8300411E+02 9.9731759E-02 -5.6966672E-02 2.3661656E-02 10 1.5940839E+02 1.9592731E-01 -1.1256137E-01 4.6871767E-02 11 9.1697601E+01 2.9314202E-01 -1.6491298E-01 6.8271397E-02 12 5.3692336E+01 3.0349655E-01 -1.3921814E-01 5.3987510E-02 13 3.1599978E+01 1.8944760E-01 5.0598068E-02 -4.1320667E-02 14 1.8490637E+01 6.0819407E-02 3.0814178E-01 -1.6681226E-01 15 1.0827366E+01 7.5493658E-03 4.1572820E-01 -2.2660717E-01 16 6.3206076E+00 7.5788669E-04 2.6818212E-01 -6.6890561E-02 17 3.6457723E+00 -5.1717361E-05 7.9631347E-02 2.4060584E-01 18 2.0553207E+00 4.9286648E-05 8.1382132E-03 4.4616991E-01 19 1.1321279E+00 -2.4022109E-05 2.1521814E-04 3.3945081E-01 20 6.0844286E-01 1.0996132E-05 -1.0727061E-04 1.3669966E-01 21 2.6444538E-01 -1.2623590E-06 -2.4220663E-05 1.5272869E-02 4f 1 3.6745073E+03 3.1027763E-05 2 1.2081620E+03 3.1804303E-04 3 5.1026706E+02 2.0479282E-03 4 2.4359038E+02 9.6465250E-03 5 1.2589418E+02 3.3768226E-02 6 6.8036993E+01 8.9499770E-02 7 3.7981552E+01 1.8281401E-01 8 2.1542824E+01 2.7522100E-01 9 1.2249691E+01 3.1047606E-01 10 6.9241349E+00 2.4531146E-01 11 3.8201017E+00 1.2072541E-01 12 1.9946900E+00 2.7775956E-02 13 7.7610685E-01 1.2013773E-03 14 3.7157633E-01 -1.1630752E-04 Pseudo-large component functions -------------------------------- 1s 2s 3s 4s 5s 6s 7s 1 5.8063745E+07 8.0048761E-06 -3.2408143E-06 1.5727961E-06 -8.0762602E-07 3.8706721E-07 1.6270786E-07 4.7521240E-08 2 1.5456539E+07 5.1847522E-05 -2.0993753E-05 1.0188816E-05 -5.2318526E-06 2.5074239E-06 1.0540438E-06 3.0785044E-07 3 5.2902553E+06 1.6488729E-04 -6.6816970E-05 3.2431913E-05 -1.6654473E-05 7.9820260E-06 3.3553144E-06 9.7996809E-07 4 2.0139873E+06 4.7234416E-04 -1.9157926E-04 9.3006108E-05 -4.7760575E-05 2.2890081E-05 9.6224437E-06 2.8103989E-06 5 8.4100059E+05 1.1719665E-03 -4.7606275E-04 2.3117036E-04 -1.1872557E-04 5.6903951E-05 2.3919844E-05 6.9861188E-06 6 3.7222700E+05 2.7795559E-03 -1.1315692E-03 5.4971781E-04 -2.8233335E-04 1.3531768E-04 5.6886050E-05 1.6614642E-05 7 1.7339801E+05 6.1382490E-03 -2.5082320E-03 1.2192779E-03 -6.2639100E-04 3.0024851E-04 1.2620977E-04 3.6861186E-05 8 8.3843273E+04 1.3066566E-02 -5.3715726E-03 2.6143159E-03 -1.3432812E-03 6.4387989E-04 2.7069583E-04 7.9062688E-05 9 4.1893009E+04 2.6331024E-02 -1.0936793E-02 5.3328950E-03 -2.7419898E-03 1.3146206E-03 5.5260609E-04 1.6139546E-04 10 2.1503090E+04 5.0529515E-02 -2.1355130E-02 1.0449202E-02 -5.3759613E-03 2.5777245E-03 1.0838566E-03 3.1657194E-04 11 1.1316750E+04 9.0047658E-02 -3.9194770E-02 1.9286306E-02 -9.9403362E-03 4.7689361E-03 2.0047546E-03 5.8551532E-04 12 6.1012610E+03 1.4543327E-01 -6.6441169E-02 3.3018890E-02 -1.7052369E-02 8.1843293E-03 3.4425806E-03 1.0055748E-03 13 3.3802236E+03 2.0084792E-01 -9.8884479E-02 4.9885960E-02 -2.5886441E-02 1.2442422E-02 5.2309056E-03 1.5277418E-03 14 1.9375255E+03 2.2108224E-01 -1.1951382E-01 6.1593188E-02 -3.2076005E-02 1.5425404E-02 6.4973881E-03 1.8983900E-03 15 1.1622306E+03 1.7600997E-01 -9.7497501E-02 5.0458363E-02 -2.6463393E-02 1.2767019E-02 5.3524642E-03 1.5622376E-03 16 7.4041380E+02 9.8243226E-02 -2.4668197E-02 8.3482162E-03 -3.3979788E-03 1.4779271E-03 6.5844569E-04 1.9487553E-04 17 4.8927196E+02 4.1377889E-02 9.8997178E-02 -7.7644219E-02 4.4240822E-02 -2.1732890E-02 -9.2741386E-03 -2.7164098E-03 18 3.0925510E+02 9.5602796E-03 3.0062944E-01 -2.5555135E-01 1.5279798E-01 -7.6332997E-02 -3.2264513E-02 -9.4291400E-03 19 1.9033412E+02 -1.6684766E-05 4.0101375E-01 -4.1825464E-01 2.6094293E-01 -1.3149950E-01 -5.6097491E-02 -1.6424476E-02 20 1.1620696E+02 4.4083970E-04 2.6694970E-01 -2.9259098E-01 1.9664131E-01 -1.0232734E-01 -4.3541249E-02 -1.2735321E-02 21 6.9524001E+01 -4.6762474E-04 7.2504390E-02 2.3435778E-01 -2.3018001E-01 1.3101663E-01 5.6705198E-02 1.6627294E-02 22 4.4016782E+01 4.3791968E-04 1.8744074E-03 6.0930080E-01 -7.3206402E-01 4.4493452E-01 1.9851347E-01 5.8529836E-02 23 2.7864480E+01 -4.5551320E-04 2.8232452E-03 4.1977251E-01 -5.8587186E-01 3.5479029E-01 1.5490193E-01 4.5461727E-02 24 1.7888079E+01 4.0801250E-04 -1.7162467E-03 1.2585473E-01 9.6067655E-02 -7.8436774E-02 -2.9079764E-02 -8.1967448E-03 25 1.1216696E+01 -3.1859018E-04 8.6879572E-04 1.6168096E-02 7.5205712E-01 -7.5746264E-01 -3.9237353E-01 -1.1855543E-01 26 6.9291713E+00 2.4364598E-04 -6.1809417E-04 8.3966139E-04 5.7919473E-01 -8.4358576E-01 -4.5535609E-01 -1.3779914E-01 27 4.1267626E+00 -1.8220230E-04 3.6720285E-04 1.2405663E-04 1.2840970E-01 1.1682710E-01 1.0211061E-01 3.1606537E-02 28 2.4158729E+00 1.4724410E-04 -2.3017682E-04 -2.2409737E-04 5.0432015E-03 8.7332301E-01 7.0905784E-01 2.3142088E-01 29 1.4153691E+00 -1.2768226E-04 1.7530380E-04 -8.1064147E-06 1.8740632E-03 5.0823819E-01 6.3167981E-01 2.2561188E-01 30 8.4517663E-01 1.0332950E-04 -1.1948540E-04 -9.0747615E-06 -4.9317768E-04 8.2051751E-02 -9.1899796E-02 -5.0103271E-02 31 4.7543331E-01 -7.9610831E-05 7.7852366E-05 -3.7462470E-07 2.2450255E-04 7.5096652E-03 -6.5930030E-01 -2.8642809E-01 32 2.6884052E-01 6.4380911E-05 -5.5072652E-05 1.4463705E-05 -1.9472590E-04 -1.2779928E-03 -5.7800048E-01 -3.7144535E-01 33 1.4408405E-01 -5.8421501E-05 4.3389390E-05 -1.5620371E-05 1.0108649E-04 1.0738585E-03 -1.3569742E-01 -2.1991733E-01 34 8.8418964E-02 4.5424885E-05 -3.0765096E-05 1.5154099E-05 -6.6056163E-05 -5.8407284E-04 1.3583258E-03 1.9611766E-01 35 4.4870324E-02 -2.6008644E-05 1.5781613E-05 -1.0303473E-05 2.7875967E-05 2.2491779E-04 -2.2226526E-03 5.4763110E-01 36 2.4238512E-02 1.5516393E-05 -8.6674725E-06 6.7037625E-06 -1.1993128E-05 -9.1989755E-05 1.1695021E-03 4.7516188E-01 37 1.2957507E-02 -5.3289800E-06 2.7883600E-06 -2.4938767E-06 3.3099028E-06 2.0439931E-05 -8.5781659E-05 1.0176782E-01 2p 3p 4p 5p 6p 7p 1 7.3182779E+07 2.1125174E-08 -1.1076771E-08 5.6912604E-09 -2.6127446E-09 9.8269633E-10 -2.4563849E-10 2 2.6089769E+07 1.3977158E-07 -7.3349116E-08 3.7742754E-08 -1.7351137E-08 6.5289523E-09 -1.6310698E-09 3 9.5297328E+06 5.6473216E-07 -2.9651292E-07 1.5242787E-07 -6.9996416E-08 2.6328952E-08 -6.5807288E-09 4 3.6600644E+06 1.9517047E-06 -1.0262018E-06 5.2828042E-07 -2.4288378E-07 9.1394627E-08 -2.2832590E-08 5 1.4635706E+06 6.3658076E-06 -3.3514577E-06 1.7240027E-06 -7.9180712E-07 2.9784556E-07 -7.4444555E-08 6 6.0613475E+05 2.0218957E-05 -1.0668101E-05 5.4963402E-06 -2.5274879E-06 9.5110061E-07 -2.3761078E-07 7 2.5903128E+05 6.3445244E-05 -3.3543530E-05 1.7273071E-05 -7.9355754E-06 2.9852307E-06 -7.4612866E-07 8 1.1399497E+05 1.9747230E-04 -1.0469882E-04 5.4001474E-05 -2.4837986E-05 9.3469315E-06 -2.3351982E-06 9 5.1588928E+04 6.0805550E-04 -3.2329666E-04 1.6671874E-04 -7.6625562E-05 2.8827927E-05 -7.2050546E-06 10 2.4003062E+04 1.8343951E-03 -9.7925284E-04 5.0587816E-04 -2.3275553E-04 8.7594517E-05 -2.1885177E-05 11 1.1489822E+04 5.3407167E-03 -2.8661809E-03 1.4815193E-03 -6.8135124E-04 2.5637108E-04 -6.4074556E-05 12 5.6641636E+03 1.4721267E-02 -7.9713464E-03 4.1324201E-03 -1.9029266E-03 7.1625749E-04 -1.7896093E-04 13 2.8764168E+03 3.7568585E-02 -2.0642368E-02 1.0733325E-02 -4.9435536E-03 1.8606538E-03 -4.6504267E-04 14 1.5036986E+03 8.5969778E-02 -4.8398875E-02 2.5340846E-02 -1.1698359E-02 4.4054560E-03 -1.1007697E-03 15 8.0749065E+02 1.6821716E-01 -9.7984225E-02 5.1714735E-02 -2.3905342E-02 9.0038599E-03 -2.2506504E-03 16 4.4413349E+02 2.6273622E-01 -1.5939024E-01 8.5222502E-02 -3.9562156E-02 1.4915864E-02 -3.7269283E-03 17 2.4950778E+02 2.9203063E-01 -1.7130917E-01 9.0026825E-02 -4.1506784E-02 1.5622053E-02 -3.9063098E-03 18 1.4213966E+02 1.9569623E-01 -2.4022321E-02 -6.7673008E-03 5.4914331E-03 -2.2424158E-03 5.7023079E-04 19 8.1649158E+01 5.9976358E-02 2.8433941E-01 -2.3394706E-01 1.2052733E-01 -4.6406419E-02 1.1612987E-02 20 4.7811197E+01 3.1768783E-03 4.6742767E-01 -4.0852410E-01 2.1321724E-01 -8.2194912E-02 2.0610276E-02 21 2.7891171E+01 -2.2459017E-03 2.9557597E-01 -1.4419858E-01 5.3367384E-02 -1.8961450E-02 4.6710276E-03 22 1.5990892E+01 -2.6626933E-03 6.8641762E-02 4.0094064E-01 -2.9856536E-01 1.2344455E-01 -3.1081244E-02 23 9.2767269E+00 -1.9552735E-03 3.8215002E-03 5.6763916E-01 -4.9123942E-01 2.1120701E-01 -5.3614400E-02 24 5.3424985E+00 -1.9153211E-03 7.7227805E-04 2.4128923E-01 -7.7524542E-02 1.3921190E-02 -2.8086224E-03 25 3.0427043E+00 -1.5358100E-03 -3.1648509E-04 3.1017263E-02 5.1083911E-01 -2.8913688E-01 7.4846757E-02 26 1.7198799E+00 -1.4642974E-03 1.3117619E-04 1.5555127E-03 5.4013776E-01 -3.6669692E-01 9.8695810E-02 27 9.5405338E-01 -1.2470166E-03 -4.6256304E-05 -2.9225823E-04 1.8377462E-01 -1.8655153E-02 -2.7182792E-04 28 5.0604988E-01 -1.2339100E-03 7.8600310E-05 -2.0128951E-04 1.8972627E-02 4.3734297E-01 -1.2949412E-01 29 2.6796428E-01 -8.6434679E-04 -1.0248279E-06 -2.0706726E-04 9.3689657E-04 5.0381864E-01 -1.8944345E-01 30 1.4281275E-01 -1.0186408E-03 4.5308658E-05 -1.5122568E-04 2.5429104E-05 2.1493093E-01 -1.3858982E-01 31 7.2473572E-02 -4.9391100E-04 4.8578520E-06 -1.0117768E-04 -5.5975230E-05 3.2903322E-02 1.5956577E-01 32 3.7058393E-02 -1.1112497E-03 3.7576146E-05 -1.8732538E-04 9.1501743E-06 2.3073585E-03 4.8724648E-01 33 1.9107648E-02 2.5116685E-04 -1.0015513E-05 4.0581267E-05 -1.4283068E-05 1.3435574E-03 4.2638336E-01 34 9.8582561E-03 -1.3468625E-03 3.9744408E-05 -2.3730491E-04 3.7238216E-05 -3.2554859E-05 9.7304472E-02 3d 4d 5d 1 3.6363772E+05 2.0779609E-07 -1.1403021E-07 4.6806675E-08 2 8.4471675E+04 2.7340919E-06 -1.4919120E-06 6.1575341E-07 3 2.6760208E+04 2.3358986E-05 -1.2818203E-05 5.2715704E-06 4 1.0084314E+04 1.5206140E-04 -8.3275681E-05 3.4348586E-05 5 4.2845385E+03 7.9585893E-04 -4.3787018E-04 1.8033623E-04 6 1.9897682E+03 3.4683292E-03 -1.9119359E-03 7.8929462E-04 7 9.8967189E+02 1.2669252E-02 -7.0401724E-03 2.9066241E-03 8 5.1868856E+02 3.8536425E-02 -2.1594468E-02 8.9447652E-03 9 2.8300411E+02 9.6759773E-02 -5.5202018E-02 2.2922448E-02 10 1.5940839E+02 1.9287482E-01 -1.1071574E-01 4.6096586E-02 11 9.1697601E+01 2.9088499E-01 -1.6358902E-01 6.7719984E-02 12 5.3692336E+01 3.0248638E-01 -1.3892028E-01 5.3910548E-02 13 3.1599978E+01 1.8902133E-01 5.0145166E-02 -4.1027170E-02 14 1.8490637E+01 6.0463985E-02 3.0764356E-01 -1.6649439E-01 15 1.0827366E+01 7.2273752E-03 4.1553863E-01 -2.2647073E-01 16 6.3206076E+00 5.3591424E-04 2.6815724E-01 -6.6960261E-02 17 3.6457723E+00 -2.1403966E-04 7.9579970E-02 2.4049938E-01 18 2.0553207E+00 -4.9295514E-05 8.0884755E-03 4.4611784E-01 19 1.1321279E+00 -1.0344357E-04 1.7105635E-04 3.3943390E-01 20 6.0844286E-01 -2.7637021E-05 -1.2847480E-04 1.3669114E-01 21 2.6444538E-01 -5.2876503E-05 -5.2804202E-05 1.5253506E-02 4f 1 3.6745073E+03 2.1440714E-05 2 1.2081620E+03 2.7322317E-04 3 5.1026706E+02 1.9055757E-03 4 2.4359038E+02 9.3059208E-03 5 1.2589418E+02 3.3156032E-02 6 6.8036993E+01 8.8662821E-02 7 3.7981552E+01 1.8195503E-01 8 2.1542824E+01 2.7457377E-01 9 1.2249691E+01 3.1011963E-01 10 6.9241349E+00 2.4517068E-01 11 3.8201017E+00 1.2067299E-01 12 1.9946900E+00 2.7741808E-02 13 7.7610685E-01 1.1845508E-03 14 3.7157633E-01 -1.2055276E-04 Foldy-Wouthuysen functions -------------------------- 1s 2s 3s 4s 5s 6s 7s 1 5.8063745E+07 8.8198496E-04 -3.6376940E-04 1.7690354E-04 -9.0905344E-05 4.3569453E-05 1.8316766E-05 5.3494787E-06 2 1.5456539E+07 1.8999739E-03 -7.8508360E-04 3.8189888E-04 -1.9626047E-04 9.4065735E-05 3.9546293E-05 1.1549692E-05 3 5.2902553E+06 3.3609657E-03 -1.3916641E-03 6.7719053E-04 -3.4804541E-04 1.6682125E-04 7.0132019E-05 2.0482328E-05 4 2.0139873E+06 5.4783116E-03 -2.2780544E-03 1.1092658E-03 -5.7019084E-04 2.7330544E-04 1.1490256E-04 3.3557674E-05 5 8.4100059E+05 8.6965161E-03 -3.6358321E-03 1.7720344E-03 -9.1108077E-04 4.3674787E-04 1.8360840E-04 5.3623572E-05 6 3.7222700E+05 1.3515622E-02 -5.6986662E-03 2.7816788E-03 -1.4305640E-03 6.8583536E-04 2.8837355E-04 8.4224756E-05 7 1.7339801E+05 2.0961579E-02 -8.9341497E-03 4.3697739E-03 -2.2483509E-03 1.0780925E-03 4.5326579E-04 1.3238305E-04 8 8.3843273E+04 3.2491057E-02 -1.4056868E-02 6.8953597E-03 -3.5494463E-03 1.7017391E-03 7.1545840E-04 2.0895914E-04 9 4.1893009E+04 5.0528672E-02 -2.2279921E-02 1.0968977E-02 -5.6525357E-03 2.7110046E-03 1.1396036E-03 3.3283956E-04 10 2.1503090E+04 7.8216610E-02 -3.5396597E-02 1.7515498E-02 -9.0387733E-03 4.3379101E-03 1.8244275E-03 5.3288981E-04 11 1.1316750E+04 1.1829860E-01 -5.5507005E-02 2.7648234E-02 -1.4298398E-02 6.8669394E-03 2.8873768E-03 8.4333503E-04 12 6.1012610E+03 1.6842823E-01 -8.3394518E-02 4.1956994E-02 -2.1729966E-02 1.0437472E-02 4.3908612E-03 1.2825692E-03 13 3.3802236E+03 2.1229412E-01 -1.1362836E-01 5.8011520E-02 -3.0183017E-02 1.4517117E-02 6.1035138E-03 1.7826241E-03 14 1.9375255E+03 2.1781596E-01 -1.2811577E-01 6.6789093E-02 -3.4866582E-02 1.6778912E-02 7.0698714E-03 2.0657959E-03 15 1.1622306E+03 1.6480861E-01 -9.8157167E-02 5.1117433E-02 -2.6855319E-02 1.2969976E-02 5.4360851E-03 1.5865426E-03 16 7.4041380E+02 8.7359947E-02 -1.9438646E-02 4.9557757E-03 -1.4860803E-03 5.3300399E-04 2.6389143E-04 7.9860935E-05 17 4.8927196E+02 3.6097383E-02 1.0688796E-01 -8.4685103E-02 4.8399283E-02 -2.3798017E-02 -1.0156974E-02 -2.9750278E-03 18 3.0925510E+02 7.2978400E-03 3.0742952E-01 -2.6522577E-01 1.5915112E-01 -7.9579017E-02 -3.3640952E-02 -9.8315302E-03 19 1.9033412E+02 -8.8944768E-06 3.9971543E-01 -4.2336748E-01 2.6486288E-01 -1.3355791E-01 -5.6987957E-02 -1.6685801E-02 20 1.1620696E+02 -3.2536001E-05 2.6264297E-01 -2.8990218E-01 1.9518627E-01 -1.0166267E-01 -4.3259356E-02 -1.2652716E-02 21 6.9524001E+01 -1.5865105E-04 7.0213123E-02 2.3990125E-01 -2.3603970E-01 1.3446065E-01 5.8214165E-02 1.7070730E-02 22 4.4016782E+01 -1.2836827E-06 1.7423780E-03 6.0971933E-01 -7.3536329E-01 4.4727653E-01 1.9959170E-01 5.8849338E-02 23 2.7864480E+01 -5.6713187E-05 2.5500648E-03 4.1823613E-01 -5.8514967E-01 3.5437283E-01 1.5470740E-01 4.5403736E-02 24 1.7888079E+01 2.1298381E-05 -1.5384518E-03 1.2479575E-01 9.8079755E-02 -7.9940035E-02 -2.9752364E-02 -8.3946226E-03 25 1.1216696E+01 -1.8264104E-05 7.0818310E-04 1.6167564E-02 7.5251947E-01 -7.5876757E-01 -3.9316099E-01 -1.1879839E-01 26 6.9291713E+00 8.3694153E-06 -5.0805769E-04 6.9574255E-04 5.7861710E-01 -8.4346656E-01 -4.5531567E-01 -1.3778701E-01 27 4.1267626E+00 -6.9390731E-06 2.8041384E-04 2.0568272E-04 1.2812872E-01 1.1738914E-01 1.0249480E-01 3.1725830E-02 28 2.4158729E+00 2.8756838E-06 -1.6282104E-04 -2.9960185E-04 5.0453286E-03 8.7337829E-01 7.0925245E-01 2.3149306E-01 29 1.4153691E+00 -2.7397835E-06 1.1547281E-04 5.4862273E-05 1.8440391E-03 5.0809882E-01 6.3164676E-01 2.2560511E-01 30 8.4517663E-01 1.3959702E-06 -7.2240068E-05 -6.2420435E-05 -4.7273353E-04 8.2010978E-02 -9.1970993E-02 -5.0135397E-02 31 4.7543331E-01 -9.4356826E-07 4.1065755E-05 4.0153460E-05 2.0692041E-04 7.5093016E-03 -6.5931416E-01 -2.8644096E-01 32 2.6884052E-01 4.9324327E-07 -2.5716645E-05 -1.8828775E-05 -1.8052496E-04 -1.2820306E-03 -5.7798408E-01 -3.7144829E-01 33 1.4408405E-01 -3.8305700E-07 1.6608783E-05 1.4611195E-05 8.7802204E-05 1.0762859E-03 -1.3568829E-01 -2.1991445E-01 34 8.8418964E-02 1.9339413E-07 -1.0061840E-05 -8.4694988E-06 -5.5671703E-05 -5.8629555E-04 1.3585750E-03 1.9612124E-01 35 4.4870324E-02 -9.3780687E-08 3.9057877E-06 3.2563296E-06 2.1694994E-05 2.2633170E-04 -2.2224040E-03 5.4763211E-01 36 2.4238512E-02 2.7614690E-08 -1.6082097E-06 -1.4125110E-06 -8.2972750E-06 -9.2962936E-05 1.1693057E-03 4.7516055E-01 37 1.2957507E-02 -1.1066569E-08 3.5993823E-07 2.8445064E-07 2.0289973E-06 2.0792248E-05 -8.5632217E-05 1.0176736E-01 2p 3p 4p 5p 6p 7p 1 7.3182779E+07 2.2895807E-06 -1.1836004E-06 6.0824813E-07 -2.7960148E-07 1.0528002E-07 -2.6327860E-08 2 2.6089769E+07 1.2186916E-05 -6.3333984E-06 3.2507598E-06 -1.4920042E-06 5.6096168E-07 -1.4010784E-07 3 9.5297328E+06 2.9034723E-05 -1.5110404E-05 7.7667058E-06 -3.5693941E-06 1.3435044E-06 -3.3586808E-07 4 3.6600644E+06 6.1701189E-05 -3.2146482E-05 1.6509136E-05 -7.5786351E-06 2.8495859E-06 -7.1174273E-07 5 1.4635706E+06 1.2536666E-04 -6.5464157E-05 3.3670401E-05 -1.5476052E-05 5.8250761E-06 -1.4562066E-06 6 6.0613475E+05 2.5145556E-04 -1.3159612E-04 6.7651199E-05 -3.1066103E-05 1.1682189E-05 -2.9179840E-06 7 2.5903128E+05 5.0292097E-04 -2.6410779E-04 1.3598536E-04 -6.2514922E-05 2.3529464E-05 -5.8818713E-06 8 1.1399497E+05 1.0153385E-03 -5.3524924E-04 2.7563135E-04 -1.2664448E-04 4.7632868E-05 -1.1898608E-05 9 5.1588928E+04 2.0904682E-03 -1.1078003E-03 5.7142011E-04 -2.6277303E-04 9.8898726E-05 -2.4720996E-05 10 2.4003062E+04 4.4322831E-03 -2.3636528E-03 1.2206091E-03 -5.6132494E-04 2.1117972E-04 -5.2757188E-05 11 1.1489822E+04 9.6961718E-03 -5.2135695E-03 2.6977897E-03 -1.2413927E-03 4.6722625E-04 -1.1678294E-04 12 5.6641636E+03 2.1610478E-02 -1.1751035E-02 6.0979843E-03 -2.8082022E-03 1.0569064E-03 -2.6406169E-04 13 2.8764168E+03 4.7626139E-02 -2.6328826E-02 1.3714137E-02 -6.3200097E-03 2.3791600E-03 -5.9466110E-04 14 1.5036986E+03 9.8958952E-02 -5.6103241E-02 2.9425024E-02 -1.3588088E-02 5.1171684E-03 -1.2785798E-03 15 8.0749065E+02 1.8209013E-01 -1.0681778E-01 5.6479123E-02 -2.6120687E-02 9.8395371E-03 -2.4596085E-03 16 4.4413349E+02 2.7366024E-01 -1.6704392E-01 8.9453436E-02 -4.1541136E-02 1.5662788E-02 -3.9135242E-03 17 2.4950778E+02 2.9726467E-01 -1.7473136E-01 9.1809654E-02 -4.2324267E-02 1.5929730E-02 -3.9833360E-03 18 1.4213966E+02 1.9759238E-01 -2.2529008E-02 -8.2775286E-03 6.2810629E-03 -2.5470525E-03 6.4672341E-04 19 8.1649158E+01 6.2141883E-02 2.8727628E-01 -2.3707907E-01 1.2223095E-01 -4.7069101E-02 1.1778952E-02 20 4.7811197E+01 5.9364285E-03 4.6777297E-01 -4.0989478E-01 2.1401783E-01 -8.2508436E-02 2.0689138E-02 21 2.7891171E+01 4.4660933E-04 2.9451768E-01 -1.4290813E-01 5.2539570E-02 -1.8630806E-02 4.5876980E-03 22 1.5990892E+01 -2.8729165E-04 6.8181769E-02 4.0230503E-01 -2.9964208E-01 1.2389953E-01 -3.1196110E-02 23 9.2767269E+00 6.7753232E-05 3.7202440E-03 5.6793229E-01 -4.9168112E-01 2.1140781E-01 -5.3665709E-02 24 5.3424985E+00 -7.5168852E-05 7.1328554E-04 2.4133793E-01 -7.7300598E-02 1.3785176E-02 -2.7729479E-03 25 3.0427043E+00 5.2905043E-05 -3.6059055E-04 3.1257233E-02 5.1094040E-01 -2.8924076E-01 7.4874764E-02 26 1.7198799E+00 -2.5591755E-05 8.6820134E-05 1.7996474E-03 5.4006052E-01 -3.6670516E-01 9.8699697E-02 27 9.5405338E-01 1.7492460E-05 -8.0671420E-05 -6.4957794E-05 1.8368904E-01 -1.8589818E-02 -2.9052670E-04 28 5.0604988E-01 -9.7194530E-06 4.1263788E-05 1.2904970E-05 1.8937317E-02 4.3738630E-01 -1.2950710E-01 29 2.6796428E-01 6.0319550E-06 -2.4441400E-05 -5.1251040E-05 9.0713713E-04 5.0383763E-01 -1.8945208E-01 30 1.4281275E-01 -3.6072787E-06 1.4516926E-05 2.7306952E-05 -6.0415497E-07 2.1494539E-01 -1.3859376E-01 31 7.2473572E-02 2.0337004E-06 -8.2690225E-06 -1.2552363E-05 -7.2564797E-05 3.2914673E-02 1.5956543E-01 32 3.7058393E-02 -1.1316136E-06 4.5347142E-06 8.6753224E-06 -2.0956973E-05 2.3299268E-03 4.8724331E-01 33 1.9107648E-02 5.2187638E-07 -2.1124875E-06 -3.4494090E-06 -8.2370412E-06 1.3389508E-03 4.2638366E-01 34 9.8582561E-03 -1.4108745E-07 5.6659233E-07 1.0394559E-06 -9.8085035E-07 -3.8803978E-06 9.7298829E-02 3d 4d 5d 1 3.6363772E+05 3.0656471E-06 -1.6721958E-06 6.8589405E-07 2 8.4471675E+04 1.6229582E-05 -8.8507972E-06 3.6524947E-06 3 2.6760208E+04 7.2734837E-05 -3.9806824E-05 1.6359265E-05 4 1.0084314E+04 3.0112946E-04 -1.6492223E-04 6.8042092E-05 5 4.2845385E+03 1.1844419E-03 -6.5168872E-04 2.6835885E-04 6 1.9897682E+03 4.3619897E-03 -2.4072627E-03 9.9412170E-04 7 9.8967189E+02 1.4458412E-02 -8.0442466E-03 3.3218962E-03 8 5.1868856E+02 4.1567324E-02 -2.3327338E-02 9.6658685E-03 9 2.8300411E+02 1.0096837E-01 -5.7687912E-02 2.3961895E-02 10 1.5940839E+02 1.9736990E-01 -1.1342050E-01 4.7233470E-02 11 9.1697601E+01 2.9429218E-01 -1.6561145E-01 6.8566504E-02 12 5.3692336E+01 3.0395838E-01 -1.3941777E-01 5.4062494E-02 13 3.1599978E+01 1.8941344E-01 5.0932025E-02 -4.1502839E-02 14 1.8490637E+01 6.0738595E-02 3.0852295E-01 -1.6701015E-01 15 1.0827366E+01 7.5263949E-03 4.1589986E-01 -2.2671890E-01 16 6.3206076E+00 7.5652649E-04 2.6816931E-01 -6.6848448E-02 17 3.6457723E+00 -5.2601481E-05 7.9609936E-02 2.4068047E-01 18 2.0553207E+00 4.9485880E-05 8.1323753E-03 4.4621125E-01 19 1.1321279E+00 -2.4155966E-05 2.1515839E-04 3.3945200E-01 20 6.0844286E-01 1.1032107E-05 -1.0748423E-04 1.3669695E-01 21 2.6444538E-01 -1.2716142E-06 -2.4195530E-05 1.5272024E-02 4f 1 3.6745073E+03 3.3229167E-05 2 1.2081620E+03 3.2904635E-04 3 5.1026706E+02 2.0885270E-03 4 2.4359038E+02 9.7598152E-03 5 1.2589418E+02 3.4004261E-02 6 6.8036993E+01 8.9856674E-02 7 3.7981552E+01 1.8322187E-01 8 2.1542824E+01 2.7552959E-01 9 1.2249691E+01 3.1064040E-01 10 6.9241349E+00 2.4535398E-01 11 3.8201017E+00 1.2072376E-01 12 1.9946900E+00 2.7772204E-02 13 7.7610685E-01 1.2013134E-03 14 3.7157633E-01 -1.1647460E-04 Exponents of dipole polarization functions ========================================== 6s6p polarization functions --------------------------- s p d f g Fr 8.7499731E-02 7.3043202E-02 1.5496535E-01 2.2540558E-01 2.5158007E-01 Ra 1.1083711E-01 9.5339937E-02 1.9423370E-01 2.7677280E-01 3.0887143E-01 Exponents of correlating functions ================================== 7s7p correlating functions -------------------------- d d f g Fr 9.2183302E-02 2.5977000E-02 6.4392336E-02 Ra 9.8486700E-02 4.2336284E-02 1.0372619E-01 1.2131583E-01 6s6p correlating functions -------------------------- d d d f f g Fr 9.4444264E-01 5.1058455E-01 2.1739844E-01 6.8991025E-01 3.2240268E-01 5.5757513E-01 Ra 1.1321279E+00 6.0844286E-01 2.6444538E-01 7.7610685E-01 3.7157633E-01 6.3434991E-01 5d correlating functions ------------------------ f f f g g h Fr 3.9950789E+00 2.0854142E+00 9.7271528E-01 3.3483008E+00 1.5710159E+00 2.7716555E+00 Ra 4.2347565E+00 2.2447281E+00 1.0688185E+00 3.5527187E+00 1.6936044E+00 2.9619630E+00 4f core correlating functions ----------------------------- g g g h h i Fr 4.8291473E+01 1.8755342E+01 7.5239363E+00 3.4028094E+01 1.2908385E+01 2.2905418E+01 Ra 5.0425353E+01 1.9644832E+01 7.9186102E+00 3.5543104E+01 1.3540328E+01 2.3950628E+01 3d core correlating functions ----------------------------- g g h Fr 1.9660674E+02 7.6476489E+01 1.3797030E+02 Ra 2.0230611E+02 7.8701605E+01 1.4214411E+02 2s2p core correlating functions ------------------------------- g Fr 7.3863440E+02 Ra 7.6289753E+02 1s core correlating functions ----------------------------- f Fr 1.1305507E+04 Ra 1.1739187E+04