4d-Block Double-Zeta Basis Set Archive ====================================== Date: 22 Jul 2007 When publishing work that uses these basis sets, please use the following citation: K.G. Dyall, Theor. Chem. Acc. (2007) 117:483. Available from the Dirac web site, http://dirac.chem.sdu.dk. This archive contains the exponents and the SCF spinor or orbital coefficients, given with respect to normalized (spherical or 2-spinor) Gaussian functions, for the double-zeta basis sets described in the above article. The contractions include the 5p orbital and are taken from SCF calculations on the configuration average of the following configurations: For Y, Zr, Tc: d^n s^2, d^n+1 s^1, and d^n p^2 configurations in a 6:3:1 ratio. For Nb, Mo, Ru, Rh, Ag: d^n s^2, d^n+1 s^1, and d^n p^2 configurations in a 3:6:1 ratio. For Cd: d^n s^2 and d^n p^2 configurations in a 9:1 ratio. The archive is set out as follows. 1. Exponents and SCF coefficients for Dirac-Hartree-Fock wave functions, in order of Z. The large component functions are given first, followed by the small component functions. Both components are labelled with the large component symmetry type, but the primitive functions for the small component are those obtained by restricted kinetic balance from the large component. The spin-orbit components have a "-" label for j=l-1/2 and a "+" label for j=l+1/2. 2. Exponents and SCF coefficients for spin-free modified Dirac-Hartree-Fock wave functions, in order of Z. The large component functions are given first, followed by the pseudo-large component functions, then the Foldy-Wouthuysen transformed large component functions. Note that all components have the same symmetry type. 3. Exponents of valence correlating and dipole polarization functions. 4. Exponents of 3d core correlating functions. Basis set construction. ---------------------- Contracted basis sets can be constructed by adding primitive functions to the SCF set. These basis sets are described below. Note that the term "double zeta" applies to the s and p set; the d set is quadruple zeta for the 4d. This is a result of keeping a reasonable energy balance for the basis sets. NOTE: Functions are counted from the function with the smallest exponent to the function with the largest exponent. The valence space is defined here as the 4d, 5s, and 5p orbitals. 1. Valence flexibility. To the SCF functions, add the following: 2nd s primitive from the SCF set 2nd p primitive from the SCF set 1st and 2nd d primitives from the SCF set Correlating f function 2. Valence + outer core. This set adds the outer-core correlation from the 4s and 4p shells. To set 1, add the following functions: 4th s primitive from the SCF set 3rd p primitive from the SCF set 3rd d primitive from the SCF set If linear dependence is encountered in the d set, do not uncontract the 1st primitive. 3. Dipole polarization of the 4d. To any of the above basis sets, add the polarizing f function. Dirac-Hartree-Fock basis sets ============================= ** Y 89 ** Large component functions ------------------------- 1s+ 2s+ 3s+ 4s+ 5s+ 1 3.5184215E+07 2.2933064E-05 -7.5430420E-06 3.1189356E-06 -1.1421283E-06 3.0524022E-07 2 5.3458048E+06 8.5097199E-05 -2.8054455E-05 1.1597993E-05 -4.2497942E-06 1.1363450E-06 3 1.1368857E+06 2.7971997E-04 -9.2603298E-05 3.8335075E-05 -1.4034797E-05 3.7497785E-06 4 2.9293030E+05 8.8184678E-04 -2.9294279E-04 1.2117275E-04 -4.4432249E-05 1.1886279E-05 5 8.6898975E+04 2.7226781E-03 -9.1011688E-04 3.7746704E-04 -1.3812664E-04 3.6883589E-05 6 2.8724884E+04 8.1633736E-03 -2.7416273E-03 1.1348944E-03 -4.1660461E-04 1.1153025E-04 7 1.0352413E+04 2.3308220E-02 -7.9430291E-03 3.3055647E-03 -1.2089733E-03 3.2258659E-04 8 4.0031519E+03 6.1776409E-02 -2.1540692E-02 8.9538286E-03 -3.2934439E-03 8.8263376E-04 9 1.6406116E+03 1.4488169E-01 -5.3781217E-02 2.2672127E-02 -8.2968140E-03 2.2117556E-03 10 7.0565042E+02 2.7626746E-01 -1.1548964E-01 4.9154288E-02 -1.8198534E-02 4.8886768E-03 11 3.1589252E+02 3.5913339E-01 -1.9502238E-01 8.7183009E-02 -3.2078965E-02 8.5337331E-03 12 1.4495730E+02 2.3309702E-01 -1.6084081E-01 7.4392423E-02 -2.8478305E-02 7.7666182E-03 13 6.0853658E+01 3.8458751E-02 2.3711278E-01 -1.3620999E-01 5.4836427E-02 -1.5161382E-02 14 2.9725284E+01 -4.5475377E-03 6.0473397E-01 -5.0760392E-01 2.0541845E-01 -5.4860558E-02 15 1.4489865E+01 2.1310694E-03 3.1324043E-01 -2.7623778E-01 1.2886217E-01 -3.7109982E-02 16 6.0456256E+00 -9.4489974E-04 2.7249970E-02 6.6630183E-01 -4.0056239E-01 1.1793095E-01 17 2.8027764E+00 3.8173786E-04 -1.4258435E-03 6.2797067E-01 -5.8303807E-01 1.7354705E-01 18 8.3435215E-01 -1.3598326E-04 4.7257449E-04 4.3471727E-02 6.6898345E-01 -2.5024042E-01 19 3.7032680E-01 6.6509472E-05 -2.7926863E-04 -8.5869340E-03 6.3490866E-01 -4.0815818E-01 20 6.7383567E-02 -1.7662788E-05 6.5113493E-05 1.9451660E-03 2.9833642E-02 6.0498033E-01 21 2.7333396E-02 8.1312013E-06 -2.9119495E-05 -8.9086985E-04 -6.5093097E-03 5.7374775E-01 2p- 3p- 4p- 5p- 1 2.2772024E+04 9.0806119E-04 -3.8395110E-04 1.2833000E-04 -3.1352261E-05 2 3.9885065E+03 4.3463562E-03 -1.8499758E-03 6.2151139E-04 -1.5167051E-04 3 1.0967695E+03 2.0450590E-02 -8.7625820E-03 2.9255575E-03 -7.1555183E-04 4 3.7559973E+02 7.9977391E-02 -3.5290912E-02 1.1949148E-02 -2.9156747E-03 5 1.4642525E+02 2.2873266E-01 -1.0514446E-01 3.5389689E-02 -8.6722666E-03 6 6.1690244E+01 4.1327441E-01 -2.0540370E-01 7.1422384E-02 -1.7430210E-02 7 2.7225180E+01 3.5601949E-01 -1.4263608E-01 4.3828802E-02 -1.0820390E-02 8 1.1814601E+01 8.7331371E-02 2.9229789E-01 -1.2319263E-01 3.1396435E-02 9 5.3078669E+00 1.4506616E-04 5.8026314E-01 -2.9601679E-01 7.4012499E-02 10 2.4159224E+00 1.7118141E-03 2.6546359E-01 -4.5943097E-02 1.1204346E-02 11 9.1207885E-01 -5.2615885E-04 1.6562652E-02 5.9140241E-01 -1.8892184E-01 12 3.5515707E-01 1.8594346E-04 -7.3795453E-04 5.1356160E-01 -1.6677498E-01 13 7.8067552E-02 -5.4653900E-05 1.7666766E-04 4.7098646E-02 5.2928636E-01 14 2.7191194E-02 2.2249594E-05 -7.3216130E-05 -1.0321572E-02 5.9310432E-01 2p+ 3p+ 4p+ 5p+ 1 2.2772024E+04 1.9707049E-04 -8.3610840E-05 2.7770405E-05 -6.8255553E-06 2 3.9885065E+03 2.4114670E-03 -1.0311333E-03 3.4627529E-04 -8.4934854E-05 3 1.0967695E+03 1.5918813E-02 -6.8374132E-03 2.2746536E-03 -5.5921162E-04 4 3.7559973E+02 7.0906338E-02 -3.1347089E-02 1.0586875E-02 -2.5977676E-03 5 1.4642525E+02 2.1616109E-01 -9.9512432E-02 3.3398498E-02 -8.2227841E-03 6 6.1690244E+01 4.0892957E-01 -2.0366477E-01 7.0561001E-02 -1.7327945E-02 7 2.7225180E+01 3.7070829E-01 -1.5806423E-01 4.9713987E-02 -1.2289896E-02 8 1.1814601E+01 9.8090827E-02 2.6694416E-01 -1.1217882E-01 2.8635315E-02 9 5.3078669E+00 2.7289664E-04 5.8294372E-01 -2.9382985E-01 7.4106484E-02 10 2.4159224E+00 2.0530862E-03 2.8648910E-01 -7.0380334E-02 1.7338175E-02 11 9.1207885E-01 -6.5776779E-04 2.0363453E-02 5.6843023E-01 -1.7971059E-01 12 3.5515707E-01 2.3599952E-04 -1.1096904E-03 5.4073335E-01 -1.8256382E-01 13 7.8067552E-02 -6.9357021E-05 2.7617385E-04 5.5710469E-02 4.9999933E-01 14 2.7191194E-02 2.8271890E-05 -1.1383224E-04 -1.2426019E-02 6.2222890E-01 3d- 4d- 1 5.3671038E+02 1.8193157E-03 -3.4810987E-04 2 1.5734387E+02 1.4778213E-02 -2.8826479E-03 3 5.9444411E+01 6.7256355E-02 -1.3006965E-02 4 2.5144495E+01 1.9575660E-01 -3.8951982E-02 5 1.1237626E+01 3.5481254E-01 -6.7394359E-02 6 5.0620196E+00 3.9473083E-01 -7.3394981E-02 7 2.2275210E+00 2.1367352E-01 2.7837294E-02 8 8.2885207E-01 2.8811703E-02 2.8385843E-01 9 2.8690534E-01 -1.5674655E-03 4.7498197E-01 10 8.9096778E-02 5.8758236E-04 4.6421261E-01 3d+ 4d+ 1 5.3671038E+02 1.5778412E-03 -3.0034312E-04 2 1.5734387E+02 1.3999496E-02 -2.7189684E-03 3 5.9444411E+01 6.5435695E-02 -1.2600047E-02 4 2.5144495E+01 1.9286188E-01 -3.8200833E-02 5 1.1237626E+01 3.5257514E-01 -6.6776514E-02 6 5.0620196E+00 3.9644733E-01 -7.3563888E-02 7 2.2275210E+00 2.1790881E-01 2.4803057E-02 8 8.2885207E-01 3.0044296E-02 2.7903624E-01 9 2.8690534E-01 -1.6486519E-03 4.7410394E-01 10 8.9096778E-02 6.2108288E-04 4.7038417E-01 Small component functions ------------------------- 1s+ 2s+ 3s+ 4s+ 5s+ 1 3.5184215E+07 -6.4899192E-05 2.1314678E-05 -8.8158254E-06 3.2262953E-06 -8.6182190E-07 2 5.3458048E+06 -2.4403304E-04 8.0070289E-05 -3.3064766E-05 1.2121583E-05 -3.2427155E-06 3 1.1368857E+06 -6.5893055E-04 2.1654469E-04 -8.9600465E-05 3.2778291E-05 -8.7530032E-06 4 2.9293030E+05 -1.5791393E-03 5.1847287E-04 -2.1403214E-04 7.8504600E-05 -2.1009970E-05 5 8.6898975E+04 -3.4492112E-03 1.1366798E-03 -4.7072251E-04 1.7211884E-04 -4.5941084E-05 6 2.8724884E+04 -7.0106558E-03 2.3153255E-03 -9.5604152E-04 3.5094170E-04 -9.3974252E-05 7 1.0352413E+04 -1.3285198E-02 4.4490695E-03 -1.8476758E-03 6.7533128E-04 -1.8014844E-04 8 4.0031519E+03 -2.3259786E-02 7.9684350E-03 -3.3042089E-03 1.2151204E-03 -3.2568115E-04 9 1.6406116E+03 -3.6185140E-02 1.3207950E-02 -5.5565223E-03 2.0324124E-03 -5.4171710E-04 10 7.0565042E+02 -4.6187095E-02 1.9006523E-02 -8.0735887E-03 2.9883699E-03 -8.0278230E-04 11 3.1589252E+02 -4.0629796E-02 2.1749366E-02 -9.7074182E-03 3.5707617E-03 -9.4984187E-04 12 1.4495730E+02 -1.7966179E-02 1.2276370E-02 -5.6772185E-03 2.1729480E-03 -5.9254747E-04 13 6.0853658E+01 -1.9249371E-03 -1.1630901E-02 6.6616231E-03 -2.6812388E-03 7.4139799E-04 14 2.9725284E+01 1.5928965E-04 -2.0858521E-02 1.7474148E-02 -7.0696266E-03 1.8880024E-03 15 1.4489865E+01 -5.2030650E-05 -7.5478501E-03 6.6518322E-03 -3.1030193E-03 8.9354728E-04 16 6.0456256E+00 1.4881264E-05 -4.2516284E-04 -1.0351214E-02 6.2207925E-03 -1.8314085E-03 17 2.8027764E+00 -4.0908892E-06 1.5534635E-05 -6.6464783E-03 6.1690934E-03 -1.8362844E-03 18 8.3435215E-01 7.9205945E-07 -2.8792908E-06 -2.5088991E-04 -3.8616453E-03 1.4444148E-03 19 3.7032680E-01 -2.5705820E-07 1.1453158E-06 3.2967809E-05 -2.4418669E-03 1.5697224E-03 20 6.7383567E-02 2.8679934E-08 -1.2494783E-07 -3.1743037E-06 -4.8939752E-05 -9.9246092E-04 21 2.7333396E-02 -8.2576137E-09 3.9169843E-08 9.2244371E-07 6.7995694E-06 -5.9946672E-04 2p- 3p- 4p- 5p- 1 2.2772024E+04 -3.1400668E-04 1.3285414E-04 -4.4289605E-05 1.0829153E-05 2 3.9885065E+03 -1.4660657E-03 6.2505682E-04 -2.1034786E-04 5.1311529E-05 3 1.0967695E+03 -4.7717980E-03 2.0447099E-03 -6.8224656E-04 1.6689955E-04 4 3.7559973E+02 -1.1985703E-02 5.2904011E-03 -1.7918071E-03 4.3718191E-04 5 1.4642525E+02 -2.2104907E-02 1.0164928E-02 -3.4210627E-03 8.3837014E-04 6 6.1690244E+01 -2.6232093E-02 1.3050250E-02 -4.5387344E-03 1.1076393E-03 7 2.7225180E+01 -1.5040082E-02 6.0409715E-03 -1.8569385E-03 4.5849384E-04 8 1.1814601E+01 -2.3785306E-03 -8.2010413E-03 3.4541448E-03 -8.8025770E-04 9 5.3078669E+00 3.3230392E-05 -1.0910952E-02 5.5644220E-03 -1.3912376E-03 10 2.4159224E+00 2.7976084E-06 -3.3691094E-03 5.8440885E-04 -1.4255697E-04 11 9.1207885E-01 1.6152119E-05 -1.3003171E-04 -4.6069838E-03 1.4717234E-03 12 3.5515707E-01 6.5671632E-06 3.0229435E-06 -2.4964779E-03 8.1076445E-04 13 7.8067552E-02 3.3491216E-06 -6.5276141E-07 -1.0709578E-04 -1.2065973E-03 14 2.7191194E-02 9.9503715E-07 2.0635481E-08 1.3969976E-05 -7.9794484E-04 2p+ 3p+ 4p+ 5p+ 1 2.2772024E+04 -1.9526681E-04 8.2624824E-05 -2.7406813E-05 6.7372812E-06 2 3.9885065E+03 -1.1392075E-03 4.8603647E-04 -1.6322427E-04 4.0031359E-05 3 1.0967695E+03 -4.1450435E-03 1.7762002E-03 -5.9059983E-04 1.4519589E-04 4 3.7559973E+02 -1.1039908E-02 4.8706561E-03 -1.6445873E-03 4.0352394E-04 5 1.4642525E+02 -2.1223729E-02 9.7531129E-03 -3.2723893E-03 8.0565517E-04 6 6.1690244E+01 -2.6177741E-02 1.3018998E-02 -4.5096995E-03 1.1074404E-03 7 2.7225180E+01 -1.5798211E-02 6.7323575E-03 -2.1178641E-03 5.2356632E-04 8 1.1814601E+01 -2.7553958E-03 -7.4795586E-03 3.1423591E-03 -8.0212443E-04 9 5.3078669E+00 -5.1981352E-06 -1.0957806E-02 5.5220503E-03 -1.3926843E-03 10 2.4159224E+00 -2.6026801E-05 -3.6339095E-03 8.9286611E-04 -2.1997540E-04 11 9.1207885E-01 5.1131768E-06 -1.5871578E-04 -4.4289573E-03 1.4001940E-03 12 3.5515707E-01 -1.1413398E-06 5.3994942E-06 -2.6292026E-03 8.8766264E-04 13 7.8067552E-02 1.5615135E-07 -6.3032560E-07 -1.2699775E-04 -1.1397856E-03 14 2.7191194E-02 -3.7174700E-08 1.5342569E-07 1.6716858E-05 -8.3711573E-04 3d- 4d- 1 5.3671038E+02 -3.6674357E-04 7.0116862E-05 2 1.5734387E+02 -1.7406677E-03 3.3959832E-04 3 5.9444411E+01 -4.9530001E-03 9.5781577E-04 4 2.5144495E+01 -9.4375316E-03 1.8780252E-03 5 1.1237626E+01 -1.1460703E-02 2.1770276E-03 6 5.0620196E+00 -8.5658299E-03 1.5929190E-03 7 2.2275210E+00 -3.0755333E-03 -4.0106357E-04 8 8.2885207E-01 -2.5215691E-04 -2.4945228E-03 9 2.8690534E-01 8.4153610E-06 -2.4559456E-03 10 8.9096778E-02 -1.6034857E-06 -1.3375942E-03 3d+ 4d+ 1 5.3671038E+02 -3.4352272E-04 6.5363563E-05 2 1.5734387E+02 -1.6785877E-03 3.2597572E-04 3 5.9444411E+01 -4.8508161E-03 9.3388985E-04 4 2.5144495E+01 -9.3227104E-03 1.8463631E-03 5 1.1237626E+01 -1.1404873E-02 2.1598224E-03 6 5.0620196E+00 -8.6100772E-03 1.5975422E-03 7 2.2275210E+00 -3.1399373E-03 -3.5719469E-04 8 8.2885207E-01 -2.6407616E-04 -2.4522539E-03 9 2.8690534E-01 8.5225586E-06 -2.4514547E-03 10 8.9096778E-02 -1.7887923E-06 -1.3554016E-03 ** Zr 90 ** Large component functions ------------------------- 1s+ 2s+ 3s+ 4s+ 5s+ 1 3.6626160E+07 2.4199316E-05 -7.9924487E-06 3.3306534E-06 -1.2529621E-06 3.3773540E-07 2 5.6449165E+06 8.8688433E-05 -2.9360957E-05 1.2233320E-05 -4.6050982E-06 1.2418457E-06 3 1.2099540E+06 2.8773468E-04 -9.5658713E-05 3.9910742E-05 -1.5010689E-05 4.0451214E-06 4 3.1301979E+05 8.9534952E-04 -2.9875261E-04 1.2455110E-04 -4.6920117E-05 1.2658084E-05 5 9.3042678E+04 2.7338124E-03 -9.1798681E-04 3.8373859E-04 -1.4425584E-04 3.8855694E-05 6 3.0778948E+04 8.1285604E-03 -2.7431209E-03 1.1445392E-03 -4.3165469E-04 1.1652818E-04 7 1.1093509E+04 2.3082034E-02 -7.9023742E-03 3.3147548E-03 -1.2454132E-03 3.3523698E-04 8 4.2884170E+03 6.0999531E-02 -2.1366206E-02 8.9518216E-03 -3.3831221E-03 9.1417574E-04 9 1.7566262E+03 1.4303849E-01 -5.3272897E-02 2.2634526E-02 -8.5089128E-03 2.2886406E-03 10 7.5506564E+02 2.7364914E-01 -1.1459387E-01 4.9150634E-02 -1.8699431E-02 5.0639290E-03 11 3.3775032E+02 3.5888640E-01 -1.9434200E-01 8.7524989E-02 -3.3084467E-02 8.8846032E-03 12 1.5486710E+02 2.3682561E-01 -1.6367645E-01 7.6270193E-02 -3.0016813E-02 8.2392722E-03 13 6.5239184E+01 4.0287785E-02 2.2750727E-01 -1.3165858E-01 5.4673188E-02 -1.5223714E-02 14 3.1931975E+01 -4.6573703E-03 6.0303077E-01 -5.0770072E-01 2.1127851E-01 -5.7073549E-02 15 1.5588253E+01 2.2066126E-03 3.2250133E-01 -2.9073313E-01 1.4019789E-01 -4.0513941E-02 16 6.5159447E+00 -9.9083628E-04 2.9177159E-02 6.6109565E-01 -4.1424116E-01 1.2324522E-01 17 3.0502133E+00 4.1154258E-04 -1.7539880E-03 6.3615588E-01 -6.0765696E-01 1.8428136E-01 18 9.3842285E-01 -1.4807135E-04 5.5075993E-04 4.5831025E-02 6.7893710E-01 -2.6388473E-01 19 4.1769263E-01 7.0979071E-05 -3.1409875E-04 -8.4670167E-03 6.4121792E-01 -4.0416636E-01 20 7.7157381E-02 -1.8357191E-05 7.1651237E-05 1.8778156E-03 3.0648909E-02 5.8795443E-01 21 3.0605130E-02 8.2515591E-06 -3.1064753E-05 -8.4499253E-04 -6.2034241E-03 5.9137949E-01 2p- 3p- 4p- 5p- 1 2.5314758E+04 9.1310641E-04 -3.9002134E-04 1.3504817E-04 -3.3189904E-05 2 4.3859335E+03 4.2819523E-03 -1.8407803E-03 6.4047585E-04 -1.5715865E-04 3 1.1964644E+03 1.9927913E-02 -8.6253173E-03 2.9837636E-03 -7.3444261E-04 4 4.0767047E+02 7.7997501E-02 -3.4744522E-02 1.2184657E-02 -2.9887367E-03 5 1.5840962E+02 2.2476316E-01 -1.0431130E-01 3.6390243E-02 -8.9785077E-03 6 6.6613322E+01 4.1112182E-01 -2.0618632E-01 7.4270950E-02 -1.8210798E-02 7 2.9371397E+01 3.6080811E-01 -1.4846916E-01 4.7658732E-02 -1.1903617E-02 8 1.2764691E+01 9.1102780E-02 2.8682011E-01 -1.2665578E-01 3.2793584E-02 9 5.7553658E+00 1.6891892E-04 5.8414782E-01 -3.1136936E-01 7.8124094E-02 10 2.6340442E+00 1.8030532E-03 2.6652980E-01 -4.4894786E-02 1.1618361E-02 11 1.0153808E+00 -5.8046824E-04 1.6595310E-02 6.0709892E-01 -2.0139196E-01 12 3.9817791E-01 1.9730971E-04 -5.4507506E-04 5.0198030E-01 -1.5210358E-01 13 8.7234008E-02 -5.7045294E-05 1.4596242E-04 4.3631710E-02 5.4352465E-01 14 2.9558664E-02 2.2657092E-05 -5.7985709E-05 -9.3155033E-03 5.8043622E-01 2p+ 3p+ 4p+ 5p+ 1 2.5314758E+04 1.8464340E-04 -7.9190065E-05 2.7254264E-05 -6.7219450E-06 2 4.3859335E+03 2.2820237E-03 -9.8610351E-04 3.4304723E-04 -8.4330533E-05 3 1.1964644E+03 1.5233006E-02 -6.6124598E-03 2.2795371E-03 -5.6238368E-04 4 4.0767047E+02 6.8549720E-02 -3.0606374E-02 1.0708225E-02 -2.6333647E-03 5 1.5840962E+02 2.1149844E-01 -9.8338196E-02 3.4212332E-02 -8.4555099E-03 6 6.6613322E+01 4.0615265E-01 -2.0419250E-01 7.3300947E-02 -1.8033321E-02 7 2.9371397E+01 3.7604789E-01 -1.6457641E-01 5.4027722E-02 -1.3462130E-02 8 1.2764691E+01 1.0274937E-01 2.5979132E-01 -1.1445377E-01 2.9600399E-02 9 5.7553658E+00 3.4853351E-04 5.8686856E-01 -3.0915450E-01 7.8038653E-02 10 2.6340442E+00 2.1733678E-03 2.8866334E-01 -7.1817996E-02 1.8403280E-02 11 1.0153808E+00 -7.2697628E-04 2.0572288E-02 5.8385536E-01 -1.9101343E-01 12 3.9817791E-01 2.5178502E-04 -8.8675676E-04 5.3082720E-01 -1.6940368E-01 13 8.7234008E-02 -7.2603556E-05 2.3790598E-04 5.2031069E-02 5.1250394E-01 14 2.9558664E-02 2.8887225E-05 -9.4435576E-05 -1.1327979E-02 6.1181505E-01 3d- 4d- 1 5.7142844E+02 1.8552484E-03 -4.1186305E-04 2 1.6733766E+02 1.5042787E-02 -3.4181313E-03 3 6.3210137E+01 6.8583491E-02 -1.5403857E-02 4 2.6757134E+01 1.9945813E-01 -4.6321356E-02 5 1.1974407E+01 3.5994344E-01 -7.9171156E-02 6 5.4160049E+00 3.9351154E-01 -8.5011532E-02 7 2.4049156E+00 2.0287347E-01 4.6047557E-02 8 9.0804831E-01 2.5407294E-02 3.3237784E-01 9 3.2733338E-01 -1.3062753E-03 4.8505940E-01 10 1.0607011E-01 5.5887352E-04 3.8511707E-01 3d+ 4d+ 1 5.7142844E+02 1.5962285E-03 -3.5216348E-04 2 1.6733766E+02 1.4207634E-02 -3.2127357E-03 3 6.3210137E+01 6.6634035E-02 -1.4890375E-02 4 2.6757134E+01 1.9639384E-01 -4.5375042E-02 5 1.1974407E+01 3.5767744E-01 -7.8404608E-02 6 5.4160049E+00 3.9550901E-01 -8.5275096E-02 7 2.4049156E+00 2.0720084E-01 4.2176238E-02 8 9.0804831E-01 2.6560077E-02 3.2683214E-01 9 3.2733338E-01 -1.3857882E-03 4.8479300E-01 10 1.0607011E-01 5.9326024E-04 3.9270145E-01 Small component functions ------------------------- 1s+ 2s+ 3s+ 4s+ 5s+ 1 3.6626160E+07 -6.6692033E-05 2.1993383E-05 -9.1679052E-06 3.4466338E-06 -9.2862560E-07 2 5.6449165E+06 -2.5067246E-04 8.2591471E-05 -3.4372661E-05 1.2945802E-05 -3.4925508E-06 3 1.2099540E+06 -6.7420086E-04 2.2246949E-04 -9.2773721E-05 3.4864401E-05 -9.3908407E-06 4 3.1301979E+05 -1.6118576E-03 5.3143662E-04 -2.2110080E-04 8.3317279E-05 -2.2485756E-05 5 9.3042678E+04 -3.5151134E-03 1.1631023E-03 -4.8544084E-04 1.8233692E-04 -4.9093522E-05 6 3.0778948E+04 -7.1378830E-03 2.3671757E-03 -9.8510418E-04 3.7151727E-04 -1.0031515E-04 7 1.1093509E+04 -1.3520726E-02 4.5452557E-03 -1.9023985E-03 7.1426614E-04 -1.9221455E-04 8 4.2884170E+03 -2.3679046E-02 8.1417191E-03 -3.4023956E-03 1.2855682E-03 -3.4741034E-04 9 1.7566262E+03 -3.6900395E-02 1.3501595E-02 -5.7240370E-03 2.1506807E-03 -5.7838146E-04 10 7.5506564E+02 -4.7300136E-02 1.9481675E-02 -8.3384608E-03 3.1715318E-03 -8.5888001E-04 11 3.3775032E+02 -4.1992977E-02 2.2398205E-02 -1.0070333E-02 3.8053284E-03 -1.0218245E-03 12 1.5486710E+02 -1.8879305E-02 1.2912274E-02 -6.0156054E-03 2.3670724E-03 -6.4967421E-04 13 6.5239184E+01 -2.0896443E-03 -1.1548214E-02 6.6616087E-03 -2.7656578E-03 7.7017218E-04 14 3.1931975E+01 1.6923771E-04 -2.1558406E-02 1.8112643E-02 -7.5353533E-03 2.0354776E-03 15 1.5588253E+01 -5.5928280E-05 -8.0610113E-03 7.2614958E-03 -3.5015987E-03 1.0118121E-03 16 6.5159447E+00 1.6213953E-05 -4.7265579E-04 -1.0661942E-02 6.6783226E-03 -1.9868407E-03 17 3.0502133E+00 -4.6047307E-06 1.9868827E-05 -7.0242826E-03 6.7074766E-03 -2.0341353E-03 18 9.3842285E-01 9.1548237E-07 -3.5442411E-06 -2.8051562E-04 -4.1563298E-03 1.6153605E-03 19 4.1769263E-01 -2.9158601E-07 1.3625435E-06 3.4516302E-05 -2.6191168E-03 1.6507886E-03 20 7.7157381E-02 3.1918546E-08 -1.4554922E-07 -3.2771532E-06 -5.3800406E-05 -1.0321135E-03 21 3.0605130E-02 -8.8666591E-09 4.3660650E-08 9.2481352E-07 6.8569201E-06 -6.5382378E-04 2p- 3p- 4p- 5p- 1 2.5314758E+04 -3.1489238E-04 1.3461019E-04 -4.6493945E-05 1.1439829E-05 2 4.3859335E+03 -1.4702383E-03 6.3317383E-04 -2.2068868E-04 5.4118948E-05 3 1.1964644E+03 -4.8015303E-03 2.0784388E-03 -7.1854553E-04 1.7691794E-04 4 4.0767047E+02 -1.2125123E-02 5.4029471E-03 -1.8953642E-03 4.6485593E-04 5 1.5840962E+02 -2.2554837E-02 1.0471549E-02 -3.6528402E-03 9.0131780E-04 6 6.6613322E+01 -2.7097583E-02 1.3603611E-02 -4.9012662E-03 1.2017362E-03 7 2.9371397E+01 -1.5825839E-02 6.5296461E-03 -2.0969040E-03 5.2382044E-04 8 1.2764691E+01 -2.5780224E-03 -8.3648803E-03 3.6910635E-03 -9.5561664E-04 9 5.7553658E+00 3.6355008E-05 -1.1437825E-02 6.0946803E-03 -1.5291562E-03 10 2.6340442E+00 3.0859411E-06 -3.5322050E-03 5.9658473E-04 -1.5440821E-04 11 1.0153808E+00 1.8027196E-05 -1.3749130E-04 -4.9898116E-03 1.6553103E-03 12 3.9817791E-01 7.5399547E-06 2.1689901E-06 -2.5836484E-03 7.8291793E-04 13 8.7234008E-02 3.8061110E-06 -6.3063357E-07 -1.0481342E-04 -1.3097861E-03 14 2.9558664E-02 1.1347444E-06 -5.8867266E-09 1.3168387E-05 -8.1419041E-04 2p+ 3p+ 4p+ 5p+ 1 2.5314758E+04 -1.8983908E-04 8.1192172E-05 -2.7904485E-05 6.8843526E-06 2 4.3859335E+03 -1.1229426E-03 4.8409802E-04 -1.6840999E-04 4.1392645E-05 3 1.1964644E+03 -4.1306620E-03 1.7886116E-03 -6.1625378E-04 1.5203851E-04 4 4.0767047E+02 -1.1105043E-02 4.9474033E-03 -1.7304937E-03 4.2553563E-04 5 1.5840962E+02 -2.1588136E-02 1.0018423E-02 -3.4843325E-03 8.6113101E-04 6 6.6613322E+01 -2.7013802E-02 1.3560359E-02 -4.8669131E-03 1.1973124E-03 7 2.9371397E+01 -1.6646026E-02 7.2804460E-03 -2.3904859E-03 5.9564119E-04 8 1.2764691E+01 -3.0003999E-03 -7.5652886E-03 3.3320380E-03 -8.6173525E-04 9 5.7553658E+00 -6.8870102E-06 -1.1487201E-02 6.0498930E-03 -1.5271175E-03 10 2.6340442E+00 -2.8778229E-05 -3.8233018E-03 9.5141571E-04 -2.4381944E-04 11 1.0153808E+00 5.9666095E-06 -1.6918475E-04 -4.7998483E-03 1.5702720E-03 12 3.9817791E-01 -1.2905713E-06 4.5693245E-06 -2.7329031E-03 8.7213987E-04 13 8.7234008E-02 1.7311188E-07 -5.7405275E-07 -1.2538042E-04 -1.2349760E-03 14 2.9558664E-02 -3.9714353E-08 1.3274196E-07 1.5889133E-05 -8.5819066E-04 3d- 4d- 1 5.7142844E+02 -3.8357139E-04 8.5062611E-05 2 1.6733766E+02 -1.8240809E-03 4.1458172E-04 3 6.3210137E+01 -5.2047999E-03 1.1688936E-03 4 2.6757134E+01 -9.9169960E-03 2.3032795E-03 5 1.1974407E+01 -1.2000121E-02 2.6396636E-03 6 5.4160049E+00 -8.8323864E-03 1.9084110E-03 7 2.4049156E+00 -3.0337467E-03 -6.8926314E-04 8 9.0804831E-01 -2.3252565E-04 -3.0572374E-03 9 3.2733338E-01 7.5711705E-06 -2.6789265E-03 10 1.0607011E-01 -1.6438541E-06 -1.2107719E-03 3d+ 4d+ 1 5.7142844E+02 -3.5799918E-04 7.8943202E-05 2 1.6733766E+02 -1.7556804E-03 3.9695839E-04 3 6.3210137E+01 -5.0923566E-03 1.1377269E-03 4 2.6757134E+01 -9.7922102E-03 2.2620981E-03 5 1.1974407E+01 -1.1942848E-02 2.6176193E-03 6 5.4160049E+00 -8.8850040E-03 1.9155226E-03 7 2.4049156E+00 -3.1023172E-03 -6.3115503E-04 8 9.0804831E-01 -2.4435181E-04 -3.0063864E-03 9 3.2733338E-01 7.6505359E-06 -2.6775212E-03 10 1.0607011E-01 -1.8640105E-06 -1.2346496E-03 ** Nb 93 ** Large component functions ------------------------- 1s+ 2s+ 3s+ 4s+ 5s+ 1 3.7587860E+07 2.5763758E-05 -8.5440298E-06 3.5866714E-06 -1.3782628E-06 3.4597780E-07 2 5.8779786E+06 9.3331694E-05 -3.1026251E-05 1.3022243E-05 -5.0075765E-06 1.2574563E-06 3 1.2703119E+06 2.9914667E-04 -9.9872100E-05 4.1975546E-05 -1.6126369E-05 4.0473730E-06 4 3.3009948E+05 9.1960792E-04 -3.0819707E-04 1.2943959E-04 -4.9812662E-05 1.2512583E-05 5 9.8352415E+04 2.7784064E-03 -9.3723229E-04 3.9469085E-04 -1.5155724E-04 3.8023814E-05 6 3.2571358E+04 8.1940196E-03 -2.7784907E-03 1.1679513E-03 -4.5000679E-04 1.1309771E-04 7 1.1743919E+04 2.3135592E-02 -7.9591634E-03 3.3635591E-03 -1.2908220E-03 3.2369219E-04 8 4.5396422E+03 6.0920637E-02 -2.1441601E-02 9.0507982E-03 -3.4948115E-03 8.7902412E-04 9 1.8590313E+03 1.4259596E-01 -5.3342710E-02 2.2834845E-02 -8.7677709E-03 2.1974843E-03 10 7.9878191E+02 2.7278760E-01 -1.1464896E-01 4.9544574E-02 -1.9263154E-02 4.8542205E-03 11 3.5716156E+02 3.5848142E-01 -1.9443117E-01 8.8230793E-02 -3.4063316E-02 8.5297742E-03 12 1.6373020E+02 2.3769281E-01 -1.6407341E-01 7.7008545E-02 -3.1013676E-02 7.9039528E-03 13 6.9058768E+01 4.0823311E-02 2.2680392E-01 -1.3272980E-01 5.6546516E-02 -1.4599608E-02 14 3.3822313E+01 -4.7109557E-03 6.0277099E-01 -5.1227012E-01 2.1803797E-01 -5.5063795E-02 15 1.6529300E+01 2.2437437E-03 3.2321440E-01 -2.9318008E-01 1.4610993E-01 -3.9085907E-02 16 6.9436765E+00 -1.0169608E-03 2.9400120E-02 6.6624047E-01 -4.3490933E-01 1.2039011E-01 17 3.2773038E+00 4.2451343E-04 -1.8164760E-03 6.3472426E-01 -6.1990822E-01 1.7662302E-01 18 1.0247550E+00 -1.4549912E-04 5.1200051E-04 4.4914492E-02 7.2918735E-01 -2.7111760E-01 19 4.4306232E-01 6.5386716E-05 -2.8202237E-04 -7.4301361E-03 6.1456795E-01 -3.5426061E-01 20 7.3371801E-02 -1.6422688E-05 6.1494676E-05 1.6507318E-03 2.1421167E-02 6.2927720E-01 21 2.9490361E-02 7.7535093E-06 -2.8776931E-05 -7.6557070E-04 -6.0575183E-03 5.3125570E-01 2p- 3p- 4p- 5p- 1 2.7332980E+04 9.4184736E-04 -4.0613169E-04 1.4441626E-04 -3.6295069E-05 2 4.6973015E+03 4.3520880E-03 -1.8888303E-03 6.7467557E-04 -1.6919579E-04 3 1.2733419E+03 2.0066060E-02 -8.7689181E-03 3.1160486E-03 -7.8479391E-04 4 4.3206980E+02 7.8386431E-02 -3.5261551E-02 1.2696154E-02 -3.1816164E-03 5 1.6741973E+02 2.2594822E-01 -1.0591713E-01 3.7976521E-02 -9.5932333E-03 6 7.0272419E+01 4.1277593E-01 -2.0921690E-01 7.7402939E-02 -1.9372863E-02 7 3.0946220E+01 3.5943342E-01 -1.4734599E-01 4.8405877E-02 -1.2469335E-02 8 1.3444857E+01 8.9177292E-02 2.9702151E-01 -1.3622844E-01 3.6483174E-02 9 6.0742299E+00 5.9902966E-05 5.8785945E-01 -3.2562881E-01 8.3100722E-02 10 2.7886573E+00 1.7318195E-03 2.5352483E-01 -2.7903261E-02 8.2604351E-03 11 1.1065154E+00 -5.8203715E-04 1.4478672E-02 6.1947113E-01 -2.1790381E-01 12 4.3670213E-01 1.8505256E-04 -2.4104938E-05 4.8719273E-01 -1.3412183E-01 13 9.4987538E-02 -5.3046455E-05 5.7679196E-05 4.1156548E-02 5.6952183E-01 14 3.1481091E-02 2.0563706E-05 -1.8706500E-05 -8.6880378E-03 5.5461303E-01 2p+ 3p+ 4p+ 5p+ 1 2.7332980E+04 1.8077587E-04 -7.8311702E-05 2.7680100E-05 -6.9722057E-06 2 4.6973015E+03 2.2482269E-03 -9.8141525E-04 3.5047826E-04 -8.7841296E-05 3 1.2733419E+03 1.5117227E-02 -6.6283789E-03 2.3469050E-03 -5.9136041E-04 4 4.3206980E+02 6.8411712E-02 -3.0858878E-02 1.1084526E-02 -2.7790927E-03 5 1.6741973E+02 2.1194232E-01 -9.9572697E-02 3.5596400E-02 -8.9892270E-03 6 7.0272419E+01 4.0763039E-01 -2.0722816E-01 7.6410463E-02 -1.9152122E-02 7 3.0946220E+01 3.7559643E-01 -1.6475800E-01 5.5466281E-02 -1.4204432E-02 8 1.3444857E+01 1.0132216E-01 2.6841015E-01 -1.2272428E-01 3.2779004E-02 9 6.0742299E+00 1.9292206E-04 5.9199133E-01 -3.2427685E-01 8.3142241E-02 10 2.7886573E+00 2.1331195E-03 2.7636314E-01 -5.7452244E-02 1.5897061E-02 11 1.1065154E+00 -7.4598521E-04 1.8237260E-02 5.9679861E-01 -2.0656230E-01 12 4.3670213E-01 2.4392538E-04 -2.5780227E-04 5.1752605E-01 -1.5363640E-01 13 9.4987538E-02 -6.9392690E-05 1.2534632E-04 4.9503719E-02 5.3732130E-01 14 3.1481091E-02 2.6985000E-05 -4.4277892E-05 -1.0672631E-02 5.8829672E-01 3d- 4d- 1 5.5443596E+02 2.2620125E-03 -5.4721007E-04 2 1.6239201E+02 1.8091982E-02 -4.4606586E-03 3 6.1185232E+01 8.0742714E-02 -1.9793973E-02 4 2.5827794E+01 2.2606675E-01 -5.7007521E-02 5 1.1479528E+01 3.8507038E-01 -9.1719463E-02 6 5.1634512E+00 3.7939372E-01 -8.3415437E-02 7 2.2835489E+00 1.5652622E-01 9.7463220E-02 8 8.7554031E-01 1.3526774E-02 3.9550129E-01 9 3.1159362E-01 -1.0043452E-04 4.8774437E-01 10 9.8166000E-02 2.2754061E-04 2.8892792E-01 3d+ 4d+ 1 5.5443596E+02 1.9507131E-03 -4.6843927E-04 2 1.6239201E+02 1.7100882E-02 -4.1901477E-03 3 6.1185232E+01 7.8484748E-02 -1.9114928E-02 4 2.5827794E+01 2.2272382E-01 -5.5811260E-02 5 1.1479528E+01 3.8316924E-01 -9.0841443E-02 6 5.1634512E+00 3.8240790E-01 -8.4162095E-02 7 2.2835489E+00 1.6057653E-01 9.2339215E-02 8 8.7554031E-01 1.4241816E-02 3.8962113E-01 9 3.1159362E-01 -1.3312448E-04 4.8911666E-01 10 9.8166000E-02 2.4710202E-04 2.9775780E-01 Small component functions ------------------------- 1s+ 2s+ 3s+ 4s+ 5s+ 1 3.7587860E+07 -6.9138755E-05 2.2893196E-05 -9.6131942E-06 3.6914977E-06 -9.2632611E-07 2 5.8779786E+06 -2.5972198E-04 8.5922333E-05 -3.6021002E-05 1.3859150E-05 -3.4813443E-06 3 1.2703119E+06 -6.9557305E-04 2.3045846E-04 -9.6811925E-05 3.7161225E-05 -9.3230325E-06 4 3.3009948E+05 -1.6584035E-03 5.4902695E-04 -2.3009448E-04 8.8578309E-05 -2.2256722E-05 5 9.8352415E+04 -3.6095652E-03 1.1992450E-03 -5.0420816E-04 1.9343755E-04 -4.8514892E-05 6 3.2571358E+04 -7.3200953E-03 2.4375987E-03 -1.0218599E-03 3.9371443E-04 -9.8965718E-05 7 1.1743919E+04 -1.3852866E-02 4.6757282E-03 -1.9714293E-03 7.5599477E-04 -1.8953337E-04 8 4.5396422E+03 -2.4247287E-02 8.3699174E-03 -3.5234999E-03 1.3602244E-03 -3.4214435E-04 9 1.8590313E+03 -3.7786148E-02 1.3874316E-02 -5.9255993E-03 2.2739139E-03 -5.6983651E-04 10 7.9878191E+02 -4.8480800E-02 2.0023358E-02 -8.6337856E-03 3.3558949E-03 -8.4566371E-04 11 3.5716156E+02 -4.3148902E-02 2.3032960E-02 -1.0433392E-02 4.0265768E-03 -1.0082244E-03 12 1.6373020E+02 -1.9496837E-02 1.3310806E-02 -6.2460998E-03 2.5150012E-03 -6.4090598E-04 13 6.9058768E+01 -2.1804375E-03 -1.1840532E-02 6.9058627E-03 -2.9413532E-03 7.5946902E-04 14 3.3822313E+01 1.7634550E-04 -2.2179123E-02 1.8807613E-02 -8.0025892E-03 2.0209081E-03 15 1.6529300E+01 -5.8614967E-05 -8.3199669E-03 7.5409521E-03 -3.7580215E-03 1.0052472E-03 16 6.9436765E+00 1.7194138E-05 -4.9179116E-04 -1.1091729E-02 7.2376347E-03 -2.0033839E-03 17 3.2773038E+00 -4.9279117E-06 2.1351859E-05 -7.2649658E-03 7.0929931E-03 -2.0209119E-03 18 1.0247550E+00 9.4086089E-07 -3.4605478E-06 -2.8726948E-04 -4.6647927E-03 1.7343008E-03 19 4.4306232E-01 -2.7679862E-07 1.2666940E-06 3.1186627E-05 -2.5853890E-03 1.4902512E-03 20 7.3371801E-02 2.7815339E-08 -1.2428355E-07 -2.8067957E-06 -3.6666782E-05 -1.0772134E-03 21 2.9490361E-02 -8.1629483E-09 4.0585249E-08 8.2119383E-07 6.5721936E-06 -5.7655547E-04 2p- 3p- 4p- 5p- 1 2.7332980E+04 -3.2460395E-04 1.4009540E-04 -4.9702249E-05 1.2511646E-05 2 4.6973015E+03 -1.5130641E-03 6.5794587E-04 -2.3541667E-04 5.8985251E-05 3 1.2733419E+03 -4.9453735E-03 2.1614189E-03 -7.6759778E-04 1.9340458E-04 4 4.3206980E+02 -1.2504418E-02 5.6269999E-03 -2.0266715E-03 5.0779280E-04 5 1.6741973E+02 -2.3280549E-02 1.0917562E-02 -3.9142046E-03 9.8885796E-04 6 7.0272419E+01 -2.7928515E-02 1.4170814E-02 -5.2439231E-03 1.3124330E-03 7 3.0946220E+01 -1.6174850E-02 6.6497263E-03 -2.1856232E-03 5.6313566E-04 8 1.3444857E+01 -2.5837876E-03 -8.8900366E-03 4.0741667E-03 -1.0910080E-03 9 6.0742299E+00 4.1796741E-05 -1.1825349E-02 6.5480011E-03 -1.6710245E-03 10 2.7886573E+00 5.3282019E-06 -3.4573201E-03 3.8261438E-04 -1.1321923E-04 11 1.1065154E+00 1.9163077E-05 -1.2536490E-04 -5.3150274E-03 1.8696678E-03 12 4.3670213E-01 8.6829125E-06 -5.7953586E-07 -2.6259235E-03 7.2294836E-04 13 9.4987538E-02 4.2242540E-06 -4.4982764E-07 -1.0310732E-04 -1.4321337E-03 14 3.1481091E-02 1.2687309E-06 -6.8346380E-08 1.2695735E-05 -8.0287142E-04 2p+ 3p+ 4p+ 5p+ 1 2.7332980E+04 -1.9054955E-04 8.2303902E-05 -2.9049606E-05 7.3207543E-06 2 4.6973015E+03 -1.1385375E-03 4.9576848E-04 -1.7704273E-04 4.4361139E-05 3 1.2733419E+03 -4.2188298E-03 1.8449327E-03 -6.5284955E-04 1.6450916E-04 4 4.3206980E+02 -1.1398216E-02 5.1295639E-03 -1.8420088E-03 4.6178553E-04 5 1.6741973E+02 -2.2232262E-02 1.0423752E-02 -3.7251014E-03 9.4069317E-04 6 7.0272419E+01 -2.7845117E-02 1.4132753E-02 -5.2099740E-03 1.3058229E-03 7 3.0946220E+01 -1.7067213E-02 7.4817924E-03 -2.5192951E-03 6.4516654E-04 8 1.3444857E+01 -3.0368505E-03 -8.0214609E-03 3.6665155E-03 -9.7930346E-04 9 6.0742299E+00 -3.9569029E-06 -1.1904279E-02 6.5192001E-03 -1.6714352E-03 10 2.7886573E+00 -2.9055041E-05 -3.7664056E-03 7.8331368E-04 -2.1676314E-04 11 1.1065154E+00 6.3882180E-06 -1.5656889E-04 -5.1217153E-03 1.7726621E-03 12 4.3670213E-01 -1.3078429E-06 1.3920648E-06 -2.7903490E-03 8.2834993E-04 13 9.4987538E-02 1.7227304E-07 -3.1557805E-07 -1.2447939E-04 -1.3510946E-03 14 3.1481091E-02 -3.8119992E-08 6.4234079E-08 1.5449205E-05 -8.5161371E-04 3d- 4d- 1 5.5443596E+02 -4.6210686E-04 1.1170514E-04 2 1.6239201E+02 -2.1633221E-03 5.3347288E-04 3 6.1185232E+01 -6.0311419E-03 1.4784306E-03 4 2.5827794E+01 -1.1045042E-02 2.7855014E-03 5 1.1479528E+01 -1.2570755E-02 2.9944748E-03 6 5.1634512E+00 -8.3145889E-03 1.8285151E-03 7 2.2835489E+00 -2.2801115E-03 -1.4214860E-03 8 8.7554031E-01 -1.2103149E-04 -3.5721554E-03 9 3.1159362E-01 9.0340099E-07 -2.6281899E-03 10 9.8166000E-02 -5.8415844E-07 -8.7385542E-04 3d+ 4d+ 1 5.5443596E+02 -4.3102804E-04 1.0345812E-04 2 1.6239201E+02 -2.0821012E-03 5.1008265E-04 3 6.1185232E+01 -5.9020332E-03 1.4371191E-03 4 2.5827794E+01 -1.0911596E-02 2.7338687E-03 5 1.1479528E+01 -1.2527455E-02 2.9696148E-03 6 5.1634512E+00 -8.3884084E-03 1.8460344E-03 7 2.2835489E+00 -2.3428644E-03 -1.3467081E-03 8 8.7554031E-01 -1.2865495E-04 -3.5192466E-03 9 3.1159362E-01 7.1369324E-07 -2.6356585E-03 10 9.8166000E-02 -7.4623893E-07 -9.0059391E-04 ** Mo 98 ** Large component functions ------------------------- 1s+ 2s+ 3s+ 4s+ 5s+ 1 3.8305838E+07 2.7467319E-05 -9.1459665E-06 3.8661722E-06 -1.5142215E-06 3.8093780E-07 2 6.0927516E+06 9.8295787E-05 -3.2810925E-05 1.3867618E-05 -5.4353048E-06 1.3677314E-06 3 1.3298563E+06 3.1110822E-04 -1.0429850E-04 4.4142777E-05 -1.7284916E-05 4.3478775E-06 4 3.4753651E+05 9.4432478E-04 -3.1786190E-04 1.3443896E-04 -5.2733720E-05 1.3273135E-05 5 1.0388921E+05 2.8214120E-03 -9.5603173E-04 4.0544612E-04 -1.5867807E-04 3.9903984E-05 6 3.4467171E+04 8.2477267E-03 -2.8100560E-03 1.1896208E-03 -4.6721374E-04 1.1764559E-04 7 1.2438872E+04 2.3141144E-02 -7.9989599E-03 3.4043926E-03 -1.3315588E-03 3.3474232E-04 8 4.8101077E+03 6.0689569E-02 -2.1461838E-02 9.1240779E-03 -3.5914726E-03 9.0491136E-04 9 1.9699168E+03 1.4178707E-01 -5.3257533E-02 2.2960482E-02 -8.9849242E-03 2.2580471E-03 10 8.4632279E+02 2.7136220E-01 -1.1440524E-01 4.9790801E-02 -1.9738082E-02 4.9811853E-03 11 3.7832845E+02 3.5795667E-01 -1.9418226E-01 8.8732878E-02 -3.4913387E-02 8.7721737E-03 12 1.7340700E+02 2.3935297E-01 -1.6514843E-01 7.8040785E-02 -3.2072910E-02 8.1688632E-03 13 7.3323013E+01 4.1818673E-02 2.2277292E-01 -1.3158658E-01 5.7363415E-02 -1.4786682E-02 14 3.5952607E+01 -4.7617008E-03 6.0169859E-01 -5.1452696E-01 2.2344717E-01 -5.6761765E-02 15 1.7594175E+01 2.2884260E-03 3.2726413E-01 -3.0043882E-01 1.5382426E-01 -4.0986823E-02 16 7.4177641E+00 -1.0495776E-03 3.0363263E-02 6.6661462E-01 -4.5055050E-01 1.2492695E-01 17 3.5295204E+00 4.4581679E-04 -2.0059546E-03 6.3721040E-01 -6.3417426E-01 1.8277393E-01 18 1.1303376E+00 -1.5225583E-04 5.4048509E-04 4.6014715E-02 7.4244628E-01 -2.8296339E-01 19 4.8701544E-01 6.6558412E-05 -2.9034897E-04 -7.0615322E-03 6.1513929E-01 -3.4553849E-01 20 7.9627037E-02 -1.6192509E-05 6.1259644E-05 1.5403352E-03 2.1092241E-02 6.3992535E-01 21 3.1352516E-02 7.5597338E-06 -2.8153620E-05 -7.1036164E-04 -5.5643445E-03 5.1948263E-01 2p- 3p- 4p- 5p- 1 3.0221224E+04 9.4997404E-04 -4.1330820E-04 1.5061166E-04 -3.7151534E-05 2 5.1415197E+03 4.3080648E-03 -1.8861851E-03 6.9026996E-04 -1.6988279E-04 3 1.3826922E+03 1.9637904E-02 -8.6583880E-03 3.1534535E-03 -7.7967158E-04 4 4.6675574E+02 7.6700932E-02 -3.4792889E-02 1.2835788E-02 -3.1562754E-03 5 1.8024805E+02 2.2252792E-01 -1.0518863E-01 3.8665570E-02 -9.5908730E-03 6 7.5501558E+01 4.1092747E-01 -2.0994668E-01 7.9598215E-02 -1.9545866E-02 7 3.3211488E+01 3.6363999E-01 -1.5240835E-01 5.1661505E-02 -1.3086965E-02 8 1.4436014E+01 9.2397302E-02 2.9313675E-01 -1.3915001E-01 3.6783860E-02 9 6.5384736E+00 1.4519214E-05 5.9190863E-01 -3.3839793E-01 8.4773918E-02 10 3.0109346E+00 1.8220398E-03 2.5327454E-01 -2.3341508E-02 6.9519472E-03 11 1.2105920E+00 -6.3644202E-04 1.4244401E-02 6.3150939E-01 -2.2110722E-01 12 4.7858760E-01 1.9505641E-04 1.5345332E-04 4.7717467E-01 -1.2082058E-01 13 1.0263622E-01 -5.5098363E-05 3.6179991E-05 3.8130386E-02 5.7035836E-01 14 3.3341245E-02 2.1099937E-05 -9.2655845E-06 -8.0758294E-03 5.5325987E-01 2p+ 3p+ 4p+ 5p+ 1 3.0221224E+04 1.7026473E-04 -7.4468320E-05 2.6974659E-05 -6.6547736E-06 2 5.1415197E+03 2.1355420E-03 -9.4099755E-04 3.4431442E-04 -8.4476296E-05 3 1.3826922E+03 1.4513772E-02 -6.4237369E-03 2.3309359E-03 -5.7527008E-04 4 4.6675574E+02 6.6324319E-02 -3.0181383E-02 1.1108058E-02 -2.7262989E-03 5 1.8024805E+02 2.0778859E-01 -9.8478451E-02 3.6089087E-02 -8.9277136E-03 6 7.5501558E+01 4.0513753E-01 -2.0768872E-01 7.8479387E-02 -1.9255248E-02 7 3.3211488E+01 3.8040585E-01 -1.7058630E-01 5.9208904E-02 -1.4870638E-02 8 1.4436014E+01 1.0546119E-01 2.6271508E-01 -1.2436807E-01 3.2711932E-02 9 6.5384736E+00 1.8819918E-04 5.9626625E-01 -3.3714213E-01 8.4686015E-02 10 3.0109346E+00 2.2551852E-03 2.7726277E-01 -5.5452078E-02 1.5109177E-02 11 1.2105920E+00 -8.1638089E-04 1.8123579E-02 6.0865885E-01 -2.0899584E-01 12 4.7858760E-01 2.5820336E-04 -4.5885333E-05 5.0922509E-01 -1.4141523E-01 13 1.0263622E-01 -7.2218521E-05 9.7420545E-05 4.6401626E-02 5.3637852E-01 14 3.3341245E-02 2.7748263E-05 -3.1846845E-05 -1.0050609E-02 5.8899769E-01 3d- 4d- 1 5.8695964E+02 2.3114773E-03 -6.0462021E-04 2 1.7172760E+02 1.8453356E-02 -4.8961191E-03 3 6.4681698E+01 8.2440534E-02 -2.1871522E-02 4 2.7310291E+01 2.3052303E-01 -6.2563025E-02 5 1.2140695E+01 3.9067869E-01 -1.0096485E-01 6 5.4693800E+00 3.7657222E-01 -8.5210329E-02 7 2.4236261E+00 1.4545183E-01 1.1675911E-01 8 9.6142078E-01 1.1205297E-02 4.1286097E-01 9 3.5115770E-01 4.1047597E-04 4.7549637E-01 10 1.1311939E-01 1.3151980E-04 2.5901990E-01 3d+ 4d+ 1 5.8695964E+02 1.9783141E-03 -5.1359433E-04 2 1.7172760E+02 1.7392540E-02 -4.5838345E-03 3 6.4681698E+01 8.0027836E-02 -2.1083319E-02 4 2.7310291E+01 2.2699473E-01 -6.1197274E-02 5 1.2140695E+01 3.8880320E-01 -9.9969798E-02 6 5.4693800E+00 3.7995153E-01 -8.6281123E-02 7 2.4236261E+00 1.4950721E-01 1.1092516E-01 8 9.6142078E-01 1.1838584E-02 4.0684689E-01 9 3.5115770E-01 4.0096347E-04 4.7752132E-01 10 1.1311939E-01 1.4693694E-04 2.6859984E-01 Small component functions ------------------------- 1s+ 2s+ 3s+ 4s+ 5s+ 1 3.8305838E+07 -7.1724097E-05 2.3844837E-05 -1.0082802E-05 3.9460614E-06 -9.9245214E-07 2 6.0927516E+06 -2.6925066E-04 8.9435711E-05 -3.7755313E-05 1.4806554E-05 -3.7268205E-06 3 1.3298563E+06 -7.1744276E-04 2.3866089E-04 -1.0095786E-04 3.9495367E-05 -9.9317033E-06 4 3.4753651E+05 -1.7047524E-03 5.6667575E-04 -2.3914863E-04 9.3840964E-05 -2.3624825E-05 5 1.0388921E+05 -3.7012226E-03 1.2346506E-03 -5.2271983E-04 2.0437929E-04 -5.1382773E-05 6 3.4467171E+04 -7.4931020E-03 2.5054363E-03 -1.0576411E-03 4.1537864E-04 -1.0460412E-04 7 1.2438872E+04 -1.4163073E-02 4.7992466E-03 -2.0376482E-03 7.9633257E-04 -2.0015142E-04 8 4.8101077E+03 -2.4773266E-02 8.5844055E-03 -3.6390948E-03 1.4320916E-03 -3.6083785E-04 9 1.9699168E+03 -3.8612396E-02 1.4222724E-02 -6.1167960E-03 2.3921453E-03 -6.0110498E-04 10 8.4632279E+02 -4.9621656E-02 2.0540148E-02 -8.9184544E-03 3.5343739E-03 -8.9192896E-04 11 3.7832845E+02 -4.4358006E-02 2.3663214E-02 -1.0792560E-02 4.2448507E-03 -1.0664694E-03 12 1.7340700E+02 -2.0219127E-02 1.3789389E-02 -6.5145378E-03 2.6767543E-03 -6.8171433E-04 13 7.3323013E+01 -2.3035977E-03 -1.1978102E-02 7.0497307E-03 -3.0724664E-03 7.9201822E-04 14 3.5952607E+01 1.8395135E-04 -2.2827205E-02 1.9474543E-02 -8.4544579E-03 2.1475696E-03 15 1.7594175E+01 -6.1735684E-05 -8.6922859E-03 7.9730969E-03 -4.0820447E-03 1.0876122E-03 16 7.4177641E+00 1.8357954E-05 -5.2506617E-04 -1.1470198E-02 7.7491919E-03 -2.1485275E-03 17 3.5295204E+00 -5.3755394E-06 2.4456496E-05 -7.5691706E-03 7.5303960E-03 -2.1703061E-03 18 1.1303376E+00 1.0349820E-06 -3.8384060E-06 -3.0909144E-04 -4.9882980E-03 1.9010282E-03 19 4.8701544E-01 -2.9563808E-07 1.3680373E-06 3.1065286E-05 -2.7131311E-03 1.5239587E-03 20 7.9627037E-02 2.8579779E-08 -1.2927273E-07 -2.7261522E-06 -3.7611706E-05 -1.1411815E-03 21 3.1352516E-02 -8.2010554E-09 4.1235567E-08 7.8448173E-07 6.2248436E-06 -5.8130603E-04 2p- 3p- 4p- 5p- 1 3.0221224E+04 -3.2647400E-04 1.4218711E-04 -5.1699666E-05 1.2775725E-05 2 5.1415197E+03 -1.5203571E-03 6.6702402E-04 -2.4453526E-04 6.0121086E-05 3 1.3826922E+03 -4.9831239E-03 2.1974716E-03 -7.9984315E-04 1.9785282E-04 4 4.6675574E+02 -1.2658859E-02 5.7444611E-03 -2.1199413E-03 5.2118384E-04 5 1.8024805E+02 -2.3747921E-02 1.1230356E-02 -4.1277924E-03 1.0239975E-03 6 7.5501558E+01 -2.8797852E-02 1.4729519E-02 -5.5858486E-03 1.3715836E-03 7 3.3211488E+01 -1.6945552E-02 7.1236465E-03 -2.4159866E-03 6.1216400E-04 8 1.4436014E+01 -2.7723178E-03 -9.0915834E-03 4.3119203E-03 -1.1397365E-03 9 6.5384736E+00 4.6831545E-05 -1.2353646E-02 7.0599556E-03 -1.7685931E-03 10 3.0109346E+00 5.8932496E-06 -3.5891141E-03 3.3328183E-04 -9.9192857E-05 11 1.2105920E+00 2.1195038E-05 -1.2905257E-04 -5.6673160E-03 1.9843455E-03 12 4.7858760E-01 9.7991043E-06 -1.6514933E-06 -2.6923216E-03 6.8173400E-04 13 1.0263622E-01 4.7167396E-06 -4.2830359E-07 -9.9219455E-05 -1.4908708E-03 14 3.3341245E-02 1.3877922E-06 -8.8644077E-08 1.2166974E-05 -8.2423699E-04 2p+ 3p+ 4p+ 5p+ 1 3.0221224E+04 -1.8554191E-04 8.0902877E-05 -2.9261247E-05 7.2231130E-06 2 5.1415197E+03 -1.1233595E-03 4.9369411E-04 -1.8063833E-04 4.4305358E-05 3 1.3826922E+03 -4.2074520E-03 1.8570072E-03 -6.7341274E-04 1.6620648E-04 4 4.6675574E+02 -1.1469625E-02 5.2065158E-03 -1.9156139E-03 4.7011045E-04 5 1.8024805E+02 -2.2603973E-02 1.0689717E-02 -3.9159388E-03 9.6870923E-04 6 7.5501558E+01 -2.8681826E-02 1.4678003E-02 -5.5450473E-03 1.3604450E-03 7 3.3211488E+01 -1.7907894E-02 8.0246179E-03 -2.7858115E-03 6.9966696E-04 8 1.4436014E+01 -3.2757378E-03 -8.1345206E-03 3.8495801E-03 -1.0125358E-03 9 6.5384736E+00 -3.9951616E-06 -1.2440029E-02 7.0319517E-03 -1.7662932E-03 10 3.0109346E+00 -3.1931110E-05 -3.9264844E-03 7.8571351E-04 -2.1411017E-04 11 1.2105920E+00 7.3177047E-06 -1.6274986E-04 -5.4636383E-03 1.8759942E-03 12 4.7858760E-01 -1.4508609E-06 2.6078884E-07 -2.8742582E-03 7.9818908E-04 13 1.0263622E-01 1.8673793E-07 -2.5498676E-07 -1.2128602E-04 -1.4019741E-03 14 3.3341245E-02 -4.0470548E-08 4.7566149E-08 1.4972448E-05 -8.7745702E-04 3d- 4d- 1 5.8695964E+02 -4.8314916E-04 1.2631444E-04 2 1.7172760E+02 -2.2654480E-03 6.0115458E-04 3 6.4681698E+01 -6.3276094E-03 1.6786455E-03 4 2.7310291E+01 -1.1578782E-02 3.1427272E-03 5 1.2140695E+01 -1.3114634E-02 3.3896375E-03 6 5.4693800E+00 -8.4931888E-03 1.9223551E-03 7 2.4236261E+00 -2.1823776E-03 -1.7543106E-03 8 9.6142078E-01 -1.0480025E-04 -3.9075181E-03 9 3.5115770E-01 -1.9186097E-06 -2.7199833E-03 10 1.1311939E-01 -3.0353966E-07 -8.4094391E-04 3d+ 4d+ 1 5.8695964E+02 -4.4904740E-04 1.1652738E-04 2 1.7172760E+02 -2.1762908E-03 5.7344448E-04 3 6.4681698E+01 -6.1861197E-03 1.6293425E-03 4 2.7310291E+01 -1.1434594E-02 3.0822077E-03 5 1.2140695E+01 -1.3072327E-02 3.3607009E-03 6 5.4693800E+00 -8.5779932E-03 1.9478155E-03 7 2.4236261E+00 -2.2473270E-03 -1.6666493E-03 8 9.6142078E-01 -1.1206602E-04 -3.8508512E-03 9 3.5115770E-01 -2.2986195E-06 -2.7316581E-03 10 1.1311939E-01 -4.7563947E-07 -8.7208756E-04 ** Tc 98 ** Large component functions ------------------------- 1s+ 2s+ 3s+ 4s+ 5s+ 1 3.9824383E+07 2.8882930E-05 -9.6557785E-06 4.1087232E-06 -1.6371909E-06 4.3003696E-07 2 6.4212339E+06 1.0218755E-04 -3.4248240E-05 1.4571144E-05 -5.8104147E-06 1.5268150E-06 3 1.4126319E+06 3.1952398E-04 -1.0755467E-04 4.5822939E-05 -1.8254805E-05 4.7939696E-06 4 3.7074873E+05 9.5782854E-04 -3.2378974E-04 1.3786114E-04 -5.5017665E-05 1.4462421E-05 5 1.1107658E+05 2.8301756E-03 -9.6317674E-04 4.1120523E-04 -1.6373111E-04 4.2980435E-05 6 3.6887358E+04 8.2014457E-03 -2.8073844E-03 1.1965083E-03 -4.7811792E-04 1.2575827E-04 7 1.3315239E+04 2.2875155E-02 -7.9422274E-03 3.4029524E-03 -1.3541303E-03 3.5526398E-04 8 5.1478969E+03 5.9796627E-02 -2.1238702E-02 9.0900305E-03 -3.6406758E-03 9.5847075E-04 9 2.1072753E+03 1.3966901E-01 -5.2617618E-02 2.2834415E-02 -9.0907221E-03 2.3834827E-03 10 9.0476048E+02 2.6828380E-01 -1.1324516E-01 4.9604196E-02 -2.0009662E-02 5.2790759E-03 11 4.0412275E+02 3.5748536E-01 -1.9314989E-01 8.8787514E-02 -3.5541802E-02 9.3082642E-03 12 1.8507797E+02 2.4366690E-01 -1.6836144E-01 8.0040638E-02 -3.3473333E-02 8.9424037E-03 13 7.8607973E+01 4.4149604E-02 2.1051035E-01 -1.2494158E-01 5.5636350E-02 -1.5110508E-02 14 3.8617451E+01 -4.8297436E-03 5.9904837E-01 -5.1198672E-01 2.2628349E-01 -5.9772160E-02 15 1.8919057E+01 2.3588770E-03 3.3918762E-01 -3.1850700E-01 1.6613241E-01 -4.6751421E-02 16 7.9746011E+00 -1.0965095E-03 3.3005580E-02 6.5724302E-01 -4.5626379E-01 1.3375409E-01 17 3.8247634E+00 4.8189963E-04 -2.4829713E-03 6.4811178E-01 -6.5519769E-01 1.9596866E-01 18 1.2645693E+00 -1.7222577E-04 6.8982935E-04 5.0053753E-02 7.1165156E-01 -2.8105755E-01 19 5.5772360E-01 7.6468280E-05 -3.6174377E-04 -7.4419908E-03 6.4977861E-01 -3.7891781E-01 20 1.0097051E-01 -1.8368885E-05 7.6495376E-05 1.5967219E-03 2.9601288E-02 5.5355368E-01 21 3.8104793E-02 7.9990409E-06 -3.1690052E-05 -7.0680775E-04 -5.7158534E-03 6.1736536E-01 2p- 3p- 4p- 5p- 1 3.4312429E+04 9.3556788E-04 -4.1048034E-04 1.5300974E-04 -3.5707237E-05 2 5.7670787E+03 4.1464144E-03 -1.8300137E-03 6.8499468E-04 -1.5953617E-04 3 1.5356235E+03 1.8635630E-02 -8.2845695E-03 3.0862630E-03 -7.2179833E-04 4 5.1507358E+02 7.2880501E-02 -3.3286917E-02 1.2561237E-02 -2.9232393E-03 5 1.9809054E+02 2.1417803E-01 -1.0192526E-01 3.8319853E-02 -8.9901099E-03 6 8.2783160E+01 4.0488836E-01 -2.0790658E-01 8.0630871E-02 -1.8748246E-02 7 3.6380435E+01 3.7344437E-01 -1.6399032E-01 5.7738583E-02 -1.3783249E-02 8 1.5850852E+01 1.0164851E-01 2.7257144E-01 -1.3340653E-01 3.3387103E-02 9 7.2004362E+00 2.3295793E-04 5.9589294E-01 -3.4958271E-01 8.3310388E-02 10 3.3295116E+00 2.0509267E-03 2.6795917E-01 -3.5495474E-02 8.9250714E-03 11 1.3349773E+00 -7.3336657E-04 1.6271650E-02 6.4266773E-01 -2.1163409E-01 12 5.2629721E-01 2.2307297E-04 -1.1928886E-05 4.7423621E-01 -1.1474746E-01 13 1.1064428E-01 -6.1771286E-05 8.0475567E-05 3.5169233E-02 5.4804674E-01 14 3.5238500E-02 2.3612065E-05 -2.8153489E-05 -7.4755180E-03 5.7552113E-01 2p+ 3p+ 4p+ 5p+ 1 3.4312429E+04 1.5368209E-04 -6.7841269E-05 2.5135667E-05 -5.8486230E-06 2 5.7670787E+03 1.9481668E-03 -8.6579700E-04 3.2410419E-04 -7.5039656E-05 3 1.5356235E+03 1.3432152E-02 -5.9977891E-03 2.2260654E-03 -5.1815095E-04 4 5.1507358E+02 6.2261459E-02 -2.8539367E-02 1.0744717E-02 -2.4887487E-03 5 1.9809054E+02 1.9873936E-01 -9.4865972E-02 3.5559557E-02 -8.2954892E-03 6 8.2783160E+01 3.9790213E-01 -2.0505545E-01 7.9255320E-02 -1.8361053E-02 7 3.6380435E+01 3.9033537E-01 -1.8219491E-01 6.5469312E-02 -1.5461283E-02 8 1.5850852E+01 1.1614408E-01 2.4012506E-01 -1.1744246E-01 2.9148297E-02 9 7.2004362E+00 6.0154168E-04 5.9880728E-01 -3.4722118E-01 8.2727794E-02 10 3.3295116E+00 2.5061743E-03 2.9369277E-01 -7.0033664E-02 1.7190661E-02 11 1.3349773E+00 -9.2269732E-04 2.0729080E-02 6.1846552E-01 -1.9886134E-01 12 5.2629721E-01 2.8877041E-04 -2.5978415E-04 5.0827621E-01 -1.3512323E-01 13 1.1064428E-01 -7.9275366E-05 1.5458003E-04 4.3357118E-02 5.1164815E-01 14 3.5238500E-02 3.0372953E-05 -5.5867649E-05 -9.4469148E-03 6.1288300E-01 3d- 4d- 1 6.7896157E+02 1.9784202E-03 -5.5422005E-04 2 1.9812818E+02 1.5933288E-02 -4.5334950E-03 3 7.4759989E+01 7.2878801E-02 -2.0701012E-02 4 3.1680190E+01 2.1117831E-01 -6.1538744E-02 5 1.4203412E+01 3.7567532E-01 -1.0479637E-01 6 6.4756205E+00 3.8824381E-01 -9.8555409E-02 7 2.9308591E+00 1.7096821E-01 9.1984072E-02 8 1.1984628E+00 1.7610454E-02 3.9783359E-01 9 4.5903319E-01 1.8812401E-04 4.7143558E-01 10 1.5683177E-01 2.8843246E-04 2.8186432E-01 3d+ 4d+ 1 6.7896157E+02 1.6612478E-03 -4.6197110E-04 2 1.9812818E+02 1.4910040E-02 -4.2154628E-03 3 7.4759989E+01 7.0499946E-02 -1.9892927E-02 4 3.1680190E+01 2.0755517E-01 -6.0095723E-02 5 1.4203412E+01 3.7334947E-01 -1.0365568E-01 6 6.4756205E+00 3.9120213E-01 -9.9428696E-02 7 2.9308591E+00 1.7549122E-01 8.6103444E-02 8 1.1984628E+00 1.8555797E-02 3.9134879E-01 9 4.5903319E-01 1.6545552E-04 4.7272845E-01 10 1.5683177E-01 3.1326691E-04 2.9204345E-01 Small component functions ------------------------- 1s+ 2s+ 3s+ 4s+ 5s+ 1 3.9824383E+07 -7.3554318E-05 2.4550111E-05 -1.0449883E-05 4.1606690E-06 -1.0923987E-06 2 6.4212339E+06 -2.7596642E-04 9.2037515E-05 -3.9110812E-05 1.5605417E-05 -4.1023202E-06 3 1.4126319E+06 -7.3231391E-04 2.4456864E-04 -1.0414252E-04 4.1447898E-05 -1.0879667E-05 4 3.7074873E+05 -1.7354431E-03 5.7923283E-04 -2.4606735E-04 9.8239454E-05 -2.5833412E-05 5 1.1107658E+05 -3.7609644E-03 1.2594779E-03 -5.3676284E-04 2.1350816E-04 -5.6024094E-05 6 3.6887358E+04 -7.6054550E-03 2.5533053E-03 -1.0849920E-03 4.3355738E-04 -1.1406091E-04 7 1.3315239E+04 -1.4368087E-02 4.8863760E-03 -2.0883376E-03 8.3028025E-04 -2.1776636E-04 8 5.1478969E+03 -2.5138815E-02 8.7412697E-03 -3.7299970E-03 1.4935252E-03 -3.9322357E-04 9 2.1072753E+03 -3.9256398E-02 1.4489017E-02 -6.2716313E-03 2.4951588E-03 -6.5408668E-04 10 9.0476048E+02 -5.0690615E-02 2.0988726E-02 -9.1708247E-03 3.6981731E-03 -9.7567183E-04 11 4.0412275E+02 -4.5793692E-02 2.4310063E-02 -1.1152436E-02 4.4624510E-03 -1.1685979E-03 12 1.8507797E+02 -2.1279144E-02 1.4521152E-02 -6.9011823E-03 2.8854558E-03 -7.7077671E-04 13 7.8607973E+01 -2.5204114E-03 -1.1710049E-02 6.9230991E-03 -3.0821248E-03 8.3718219E-04 14 3.8617451E+01 1.9356458E-04 -2.3553659E-02 2.0080678E-02 -8.8717554E-03 2.3433203E-03 15 1.8919057E+01 -6.6050987E-05 -9.3431503E-03 8.7650233E-03 -4.5715431E-03 1.2863888E-03 16 7.9746011E+00 1.9904169E-05 -5.9181256E-04 -1.1725102E-02 8.1359729E-03 -2.3849101E-03 17 3.8247634E+00 -6.0544287E-06 3.1405846E-05 -8.0145139E-03 8.0990007E-03 -2.4223883E-03 18 1.2645693E+00 1.2395420E-06 -5.1415506E-06 -3.5562278E-04 -5.0573052E-03 1.9971629E-03 19 5.5772360E-01 -3.6388831E-07 1.8097207E-06 3.5025575E-05 -3.0669214E-03 1.7883803E-03 20 1.0097051E-01 3.6587428E-08 -1.7715400E-07 -3.1804241E-06 -5.9443519E-05 -1.1116077E-03 21 3.8104793E-02 -9.5810980E-09 4.9813380E-08 8.5965763E-07 7.0503159E-06 -7.6160483E-04 2p- 3p- 4p- 5p- 1 3.4312429E+04 -3.1971644E-04 1.4045768E-04 -5.2238851E-05 1.2211332E-05 2 5.7670787E+03 -1.4883269E-03 6.5828033E-04 -2.4687407E-04 5.7439842E-05 3 1.5356235E+03 -4.9018818E-03 2.1797810E-03 -8.1148989E-04 1.8988027E-04 4 5.1507358E+02 -1.2555433E-02 5.7367573E-03 -2.1656302E-03 5.0388367E-04 5 1.9809054E+02 -2.3901973E-02 1.1379724E-02 -4.2779683E-03 1.0037525E-03 6 8.2783160E+01 -2.9681498E-02 1.5258455E-02 -5.9190967E-03 1.3762488E-03 7 3.6380435E+01 -1.8207689E-02 8.0203945E-03 -2.8254339E-03 6.7462738E-04 8 1.5850852E+01 -3.2002737E-03 -8.8589702E-03 4.3314773E-03 -1.0839043E-03 9 7.2004362E+00 4.7279414E-05 -1.3051263E-02 7.6533535E-03 -1.8238543E-03 10 3.3295116E+00 4.9666325E-06 -3.9931332E-03 5.3171616E-04 -1.3372272E-04 11 1.3349773E+00 2.4307387E-05 -1.5469621E-04 -6.0563545E-03 1.9944713E-03 12 5.2629721E-01 1.0923915E-05 -7.9571065E-07 -2.8058255E-03 6.7895087E-04 13 1.1064428E-01 5.3060196E-06 -5.8562898E-07 -9.4922646E-05 -1.4873950E-03 14 3.5238500E-02 1.4956608E-06 -6.5440713E-08 1.1601924E-05 -8.8145836E-04 2p+ 3p+ 4p+ 5p+ 1 3.4312429E+04 -1.7467734E-04 7.6870134E-05 -2.8433860E-05 6.6198121E-06 2 5.7670787E+03 -1.0753927E-03 4.7659152E-04 -1.7840448E-04 4.1293168E-05 3 1.5356235E+03 -4.0866215E-03 1.8194143E-03 -6.7480536E-04 1.5707922E-04 4 5.1507358E+02 -1.1289433E-02 5.1613087E-03 -1.9424995E-03 4.4988514E-04 5 1.9809054E+02 -2.2646655E-02 1.0785281E-02 -4.0410745E-03 9.4270004E-04 6 8.2783160E+01 -2.9488993E-02 1.5168804E-02 -5.8612930E-03 1.3578229E-03 7 3.6380435E+01 -1.9231735E-02 8.9687426E-03 -3.2232393E-03 7.6119965E-04 8 1.5850852E+01 -3.7806998E-03 -7.7889912E-03 3.8081586E-03 -9.4515684E-04 9 7.2004362E+00 -1.3212991E-05 -1.3110011E-02 7.5996523E-03 -1.8106133E-03 10 3.3295116E+00 -3.7352163E-05 -4.3737608E-03 1.0434053E-03 -2.5615461E-04 11 1.3349773E+00 8.7003211E-06 -1.9548515E-04 -5.8298873E-03 1.8744747E-03 12 5.2629721E-01 -1.7067546E-06 1.5411474E-06 -3.0085190E-03 7.9978865E-04 13 1.1064428E-01 2.1401248E-07 -4.2015122E-07 -1.1766601E-04 -1.3885259E-03 14 3.5238500E-02 -4.5988440E-08 8.5785625E-08 1.4467753E-05 -9.3865837E-04 3d- 4d- 1 6.7896157E+02 -4.3781009E-04 1.2256265E-04 2 1.9812818E+02 -2.0912500E-03 5.9512267E-04 3 7.4759989E+01 -6.0027299E-03 1.7049580E-03 4 3.1680190E+01 -1.1415927E-02 3.3269925E-03 5 1.4203412E+01 -1.3635859E-02 3.8042277E-03 6 6.4756205E+00 -9.5267592E-03 2.4190143E-03 7 2.9308591E+00 -2.8211255E-03 -1.5197416E-03 8 1.1984628E+00 -1.8447345E-04 -4.2038029E-03 9 4.5903319E-01 -6.5730672E-07 -3.0832490E-03 10 1.5683177E-01 -9.1550214E-07 -1.0775031E-03 3d+ 4d+ 1 6.7896157E+02 -4.0405904E-04 1.1230593E-04 2 1.9812818E+02 -2.0008366E-03 5.6555884E-04 3 7.4759989E+01 -5.8546196E-03 1.6515441E-03 4 3.1680190E+01 -1.1257333E-02 3.2588170E-03 5 1.4203412E+01 -1.3575831E-02 3.7685389E-03 6 6.4756205E+00 -9.6098106E-03 2.4422454E-03 7 2.9308591E+00 -2.9008888E-03 -1.4224835E-03 8 1.1984628E+00 -1.9612008E-04 -4.1356174E-03 9 4.5903319E-01 -1.0905587E-06 -3.0918294E-03 10 1.5683177E-01 -1.1950370E-06 -1.1164792E-03 ** Ru 102 ** Large component functions ------------------------- 1s+ 2s+ 3s+ 4s+ 5s+ 1 4.0381200E+07 3.0902546E-05 -1.0372287E-05 4.4411121E-06 -1.7951949E-06 4.6351684E-07 2 6.6007587E+06 1.0822372E-04 -3.6417752E-05 1.5590848E-05 -6.3068940E-06 1.6283464E-06 3 1.4639996E+06 3.3482274E-04 -1.1317062E-04 4.8516959E-05 -1.9607360E-05 5.0629186E-06 4 3.8602573E+05 9.9285204E-04 -3.3706473E-04 1.4441547E-04 -5.8466981E-05 1.5095041E-05 5 1.1596395E+05 2.9050172E-03 -9.9312271E-04 4.2666451E-04 -1.7234395E-04 4.4507049E-05 6 3.8564729E+04 8.3513551E-03 -2.8721650E-03 1.2319029E-03 -4.9939572E-04 1.2892951E-04 7 1.3929658E+04 2.3153780E-02 -8.0789180E-03 3.4836339E-03 -1.4062958E-03 3.6323765E-04 8 5.3864183E+03 6.0264135E-02 -2.1511811E-02 9.2661683E-03 -3.7652161E-03 9.7210008E-04 9 2.2047472E+03 1.4030861E-01 -5.3133399E-02 2.3208506E-02 -9.3735823E-03 2.4223370E-03 10 9.4644029E+02 2.6878576E-01 -1.1402168E-01 5.0275205E-02 -2.0578968E-02 5.3158274E-03 11 4.2268028E+02 3.5700946E-01 -1.9381061E-01 8.9707672E-02 -3.6434761E-02 9.4343872E-03 12 1.9359728E+02 2.4232335E-01 -1.6686349E-01 7.9821408E-02 -3.3908492E-02 8.7724888E-03 13 8.2159704E+01 4.3613205E-02 2.1674329E-01 -1.3036280E-01 5.9017824E-02 -1.5365179E-02 14 4.0349559E+01 -4.8672621E-03 6.0000592E-01 -5.1968637E-01 2.3358224E-01 -6.1637603E-02 15 1.9791650E+01 2.3779418E-03 3.3323848E-01 -3.1156887E-01 1.6683595E-01 -4.4531216E-02 16 8.3989208E+00 -1.1135992E-03 3.1839592E-02 6.7079351E-01 -4.8174917E-01 1.3567504E-01 17 4.0522132E+00 4.8691172E-04 -2.3385419E-03 6.3855296E-01 -6.5535946E-01 1.9920204E-01 18 1.3493987E+00 -1.6458264E-04 5.8284074E-04 4.7503274E-02 7.7078281E-01 -3.1769653E-01 19 5.7653049E-01 6.8228936E-05 -2.9982288E-04 -6.3069634E-03 6.1147718E-01 -3.2944062E-01 20 9.1034426E-02 -1.5667767E-05 6.0397228E-05 1.3198988E-03 1.9899101E-02 7.0854231E-01 21 3.4627268E-02 7.2105291E-06 -2.6269079E-05 -6.2300602E-04 -3.7480287E-03 4.5024936E-01 2p- 3p- 4p- 5p- 1 3.6847221E+04 9.6659585E-04 -4.2744867E-04 1.6227100E-04 -3.7046592E-05 2 6.1483915E+03 4.2297552E-03 -1.8817056E-03 7.1708079E-04 -1.6335917E-04 3 1.6267939E+03 1.8826629E-02 -8.4364124E-03 3.2017611E-03 -7.3272109E-04 4 5.4330098E+02 7.3415395E-02 -3.3809715E-02 1.2989456E-02 -2.9563554E-03 5 2.0832396E+02 2.1564884E-01 -1.0348247E-01 3.9654348E-02 -9.1060922E-03 6 8.6879950E+01 4.0686193E-01 -2.1082227E-01 8.3256793E-02 -1.8926736E-02 7 3.8121232E+01 3.7199113E-01 -1.6251320E-01 5.8140751E-02 -1.3623327E-02 8 1.6584330E+01 9.9197380E-02 2.8393961E-01 -1.4305830E-01 3.5190316E-02 9 7.5435594E+00 -1.5715924E-05 5.9955713E-01 -3.6120637E-01 8.4084633E-02 10 3.4897887E+00 1.9962787E-03 2.5448044E-01 -1.5650963E-02 3.8989519E-03 11 1.4281191E+00 -7.4028320E-04 1.4073619E-02 6.5403451E-01 -2.1322837E-01 12 5.6458027E-01 2.1360653E-04 4.0299320E-04 4.5851703E-01 -1.0108393E-01 13 1.1702827E-01 -5.8254354E-05 6.7596330E-06 3.1687512E-02 5.5257794E-01 14 3.6706718E-02 2.2032082E-05 9.4911035E-07 -6.6247430E-03 5.7023783E-01 2p+ 3p+ 4p+ 5p+ 1 3.6847221E+04 1.5105483E-04 -6.7242926E-05 2.5376830E-05 -5.7663743E-06 2 6.1483915E+03 1.9235452E-03 -8.6227223E-04 3.2857672E-04 -7.4248848E-05 3 1.6267939E+03 1.3354099E-02 -6.0133145E-03 2.2734155E-03 -5.1678851E-04 4 5.4330098E+02 6.2233678E-02 -2.8776495E-02 1.1029382E-02 -2.4933717E-03 5 2.0832396E+02 1.9939848E-01 -9.6011687E-02 3.6674566E-02 -8.3568677E-03 6 8.6879950E+01 3.9964737E-01 -2.0794354E-01 8.1844971E-02 -1.8502870E-02 7 3.8121232E+01 3.8990752E-01 -1.8216350E-01 6.6632573E-02 -1.5398872E-02 8 1.6584330E+01 1.1425145E-01 2.4969071E-01 -1.2562572E-01 3.0575877E-02 9 7.5435594E+00 2.7350620E-04 6.0416312E-01 -3.5999998E-01 8.3683577E-02 10 3.4897887E+00 2.4913077E-03 2.8097018E-01 -5.3108694E-02 1.2693273E-02 11 1.4281191E+00 -9.5101402E-04 1.8260990E-02 6.3078074E-01 -2.0006526E-01 12 5.6458027E-01 2.8461963E-04 2.5500220E-04 4.9418607E-01 -1.2264077E-01 13 1.1702827E-01 -7.6672940E-05 5.9127234E-05 3.9680137E-02 5.1473804E-01 14 3.6706718E-02 2.9082221E-05 -1.7918270E-05 -8.5471537E-03 6.0947551E-01 3d- 4d- 1 6.5957508E+02 2.3748255E-03 -6.9982681E-04 2 1.9250754E+02 1.8899013E-02 -5.6111797E-03 3 7.2465139E+01 8.4709927E-02 -2.5357194E-02 4 3.0614274E+01 2.3700436E-01 -7.2007287E-02 5 1.3621180E+01 3.9939421E-01 -1.1698371E-01 6 6.1557769E+00 3.7192509E-01 -8.6092828E-02 7 2.7249321E+00 1.2900825E-01 1.5477718E-01 8 1.1293800E+00 7.6201320E-03 4.4030461E-01 9 4.2734929E-01 1.0985930E-03 4.5227550E-01 10 1.4205785E-01 -1.0138707E-05 2.0537377E-01 3d+ 4d+ 1 6.5957508E+02 1.9991842E-03 -5.8475242E-04 2 1.9250754E+02 1.7700698E-02 -5.2179200E-03 3 7.2465139E+01 8.1987315E-02 -2.4360837E-02 4 3.0614274E+01 2.3309324E-01 -7.0335141E-02 5 1.3621180E+01 3.9754344E-01 -1.1581503E-01 6 6.1557769E+00 3.7599435E-01 -8.7928183E-02 7 2.7249321E+00 1.3313209E-01 1.4758636E-01 8 1.1293800E+00 8.1172996E-03 4.3439472E-01 9 4.2734929E-01 1.1255212E-03 4.5597848E-01 10 1.4205785E-01 -1.0491303E-06 2.1557551E-01 Small component functions ------------------------- 1s+ 2s+ 3s+ 4s+ 5s+ 1 4.0381200E+07 -7.6724867E-05 2.5710418E-05 -1.1012031E-05 4.4476977E-06 -1.1484625E-06 2 6.6007587E+06 -2.8764794E-04 9.6311866E-05 -4.1181538E-05 1.6669397E-05 -4.3034076E-06 3 1.4639996E+06 -7.5991862E-04 2.5480397E-04 -1.0917733E-04 4.4078252E-05 -1.1382134E-05 4 3.8602573E+05 -1.7953590E-03 6.0160485E-04 -2.5716120E-04 1.0415466E-04 -2.6887487E-05 5 1.1596395E+05 -3.8816966E-03 1.3051756E-03 -5.5970955E-04 2.2584530E-04 -5.8323096E-05 6 3.8564729E+04 -7.8363181E-03 2.6413471E-03 -1.1294034E-03 4.5784226E-04 -1.1818665E-04 7 1.3929658E+04 -1.4782916E-02 5.0482479E-03 -2.1710413E-03 8.7560696E-04 -2.2615285E-04 8 5.3864183E+03 -2.5831515E-02 9.0186639E-03 -3.8725568E-03 1.5731359E-03 -4.0610532E-04 9 2.2047472E+03 -4.0283003E-02 1.4931170E-02 -6.5042591E-03 2.6251014E-03 -6.7834015E-04 10 9.4644029E+02 -5.1931323E-02 2.1589731E-02 -9.4946904E-03 3.8850610E-03 -1.0034783E-03 11 4.2268028E+02 -4.6792225E-02 2.4937377E-02 -1.1518158E-02 4.6759829E-03 -1.2107318E-03 12 1.9359728E+02 -2.1660758E-02 1.4724189E-02 -7.0413967E-03 2.9905047E-03 -7.7366873E-04 13 8.2159704E+01 -2.5478732E-03 -1.2324303E-02 7.3826943E-03 -3.3414194E-03 8.6980935E-04 14 4.0349559E+01 1.9959933E-04 -2.4117064E-02 2.0834155E-02 -9.3605404E-03 2.4699362E-03 15 1.9791650E+01 -6.8173169E-05 -9.3895749E-03 8.7707076E-03 -4.6961616E-03 1.2534682E-03 16 8.3989208E+00 2.0765495E-05 -5.8616834E-04 -1.2280974E-02 8.8156766E-03 -2.4825403E-03 17 4.0522132E+00 -6.3028789E-06 3.0549182E-05 -8.1280961E-03 8.3386316E-03 -2.5345697E-03 18 1.3493987E+00 1.2247639E-06 -4.5342125E-06 -3.4862548E-04 -5.6583053E-03 2.3320219E-03 19 5.7653049E-01 -3.3028967E-07 1.5414922E-06 3.0164639E-05 -2.9344193E-03 1.5808722E-03 20 9.1034426E-02 2.9587522E-08 -1.3724300E-07 -2.4922652E-06 -3.7941853E-05 -1.3510264E-03 21 3.4627268E-02 -8.2107507E-09 4.1438162E-08 7.2058186E-07 4.4064258E-06 -5.2949312E-04 2p- 3p- 4p- 5p- 1 3.6847221E+04 -3.3017352E-04 1.4620613E-04 -5.5392296E-05 1.2669691E-05 2 6.1483915E+03 -1.5327725E-03 6.8347104E-04 -2.6093895E-04 5.9377268E-05 3 1.6267939E+03 -5.0492927E-03 2.2633623E-03 -8.5844316E-04 1.9656589E-04 4 5.4330098E+02 -1.2942728E-02 5.9630883E-03 -2.2918034E-03 5.2148635E-04 5 2.0832396E+02 -2.4645328E-02 1.1831954E-02 -4.5336615E-03 1.0412280E-03 6 8.6879950E+01 -3.0536839E-02 1.5842297E-02 -6.2580419E-03 1.4225692E-03 7 3.8121232E+01 -1.8555943E-02 8.1335151E-03 -2.9116952E-03 6.8242905E-04 8 1.6584330E+01 -3.1865951E-03 -9.4392494E-03 4.7507292E-03 -1.1684793E-03 9 7.5435594E+00 5.6696161E-05 -1.3441134E-02 8.0941232E-03 -1.8841726E-03 10 3.4897887E+00 7.5024332E-06 -3.8828099E-03 2.4226999E-04 -6.0378965E-05 11 1.4281191E+00 2.5659543E-05 -1.3857057E-04 -6.3748041E-03 2.0784029E-03 12 5.6458027E-01 1.2270826E-05 -3.4137531E-06 -2.8095907E-03 6.1943199E-04 13 1.1702827E-01 5.7865340E-06 -4.1238471E-07 -8.7851195E-05 -1.5423564E-03 14 3.6706718E-02 1.6139942E-06 -1.1602362E-07 1.0525653E-05 -8.9137722E-04 2p+ 3p+ 4p+ 5p+ 1 3.6847221E+04 -1.7529343E-04 7.7778135E-05 -2.9303863E-05 6.6632032E-06 2 6.1483915E+03 -1.0894606E-03 4.8695446E-04 -1.8554698E-04 4.1913200E-05 3 1.6267939E+03 -4.1704041E-03 1.8720941E-03 -7.0725811E-04 1.6078279E-04 4 5.4330098E+02 -1.1576404E-02 5.3381051E-03 -2.0451996E-03 4.6229562E-04 5 2.0832396E+02 -2.3291751E-02 1.1187906E-02 -4.2716611E-03 9.7334337E-04 6 8.6879950E+01 -3.0340161E-02 1.5755754E-02 -6.1995717E-03 1.4014805E-03 7 3.8121232E+01 -1.9666444E-02 9.1797764E-03 -3.3583536E-03 7.7611469E-04 8 1.6584330E+01 -3.8046217E-03 -8.2841795E-03 4.1664007E-03 -1.0140568E-03 9 7.5435594E+00 -6.1740750E-06 -1.3538984E-02 8.0648703E-03 -1.8746546E-03 10 3.4897887E+00 -3.8009146E-05 -4.2839769E-03 8.1039776E-04 -1.9373635E-04 11 1.4281191E+00 9.2720526E-06 -1.7811701E-04 -6.1499288E-03 1.9505021E-03 12 5.6458027E-01 -1.7410636E-06 -1.5621105E-06 -3.0296477E-03 7.5184642E-04 13 1.1702827E-01 2.1255083E-07 -1.6528016E-07 -1.1075105E-04 -1.4366455E-03 14 3.6706718E-02 -4.4808689E-08 2.8097693E-08 1.3359893E-05 -9.5268729E-04 3d- 4d- 1 6.5957508E+02 -5.1976037E-04 1.5314894E-04 2 1.9250754E+02 -2.4478194E-03 7.2679590E-04 3 7.2465139E+01 -6.8725335E-03 2.0572171E-03 4 3.0614274E+01 -1.2597269E-02 3.8276998E-03 5 1.3621180E+01 -1.4197915E-02 4.1592199E-03 6 6.1557769E+00 -8.8979602E-03 2.0604515E-03 7 2.7249321E+00 -2.0515373E-03 -2.4657221E-03 8 1.1293800E+00 -7.6671220E-05 -4.5165433E-03 9 4.2734929E-01 -6.3628413E-06 -2.8540235E-03 10 1.4205785E-01 2.0193108E-07 -7.4719097E-04 3d+ 4d+ 1 6.5957508E+02 -4.7936180E-04 1.4015416E-04 2 1.9250754E+02 -2.3418522E-03 6.9014021E-04 3 7.2465139E+01 -6.7043986E-03 1.9915179E-03 4 3.0614274E+01 -1.2429414E-02 3.7497189E-03 5 1.3621180E+01 -1.4157041E-02 4.1236175E-03 6 6.1557769E+00 -9.0058180E-03 2.1059989E-03 7 2.7249321E+00 -2.1220499E-03 -2.3512700E-03 8 1.1293800E+00 -8.3277152E-05 -4.4562925E-03 9 4.2734929E-01 -7.1101234E-06 -2.8775220E-03 10 1.4205785E-01 5.8065692E-09 -7.8436706E-04 ** Rh 103 ** Large component functions ------------------------- 1s+ 2s+ 3s+ 4s+ 5s+ 1 4.1493633E+07 3.2724559E-05 -1.1027256E-05 4.7493550E-06 -1.9440943E-06 4.9328101E-07 2 6.8669898E+06 1.1345950E-04 -3.8332168E-05 1.6507219E-05 -6.7622200E-06 1.7157220E-06 3 1.5342714E+06 3.4730869E-04 -1.1786591E-04 5.0828114E-05 -2.0801508E-05 5.2783537E-06 4 4.0621857E+05 1.0185477E-03 -3.4724790E-04 1.4966282E-04 -6.1360084E-05 1.5568247E-05 5 1.2230368E+05 2.9503038E-03 -1.0130298E-03 4.3780798E-04 -1.7908599E-04 4.5447908E-05 6 4.0715370E+04 8.4121712E-03 -2.9065229E-03 1.2541397E-03 -5.1487805E-04 1.3063151E-04 7 1.4711121E+04 2.3183992E-02 -8.1273846E-03 3.5256103E-03 -1.4412668E-03 3.6582647E-04 8 5.6879216E+03 6.0111214E-02 -2.1557605E-02 9.3421074E-03 -3.8445797E-03 9.7547060E-04 9 2.3273303E+03 1.3969078E-01 -5.3117924E-02 2.3341558E-02 -9.5466449E-03 2.4243422E-03 10 9.9858590E+02 2.6765226E-01 -1.1390294E-01 5.0524999E-02 -2.0948138E-02 5.3181071E-03 11 4.4573289E+02 3.5652078E-01 -1.9366917E-01 9.0172649E-02 -3.7088045E-02 9.4372655E-03 12 2.0407625E+02 2.4355103E-01 -1.6746719E-01 8.0553552E-02 -3.4681329E-02 8.8203482E-03 13 8.6738474E+01 4.4400524E-02 2.1455585E-01 -1.3019161E-01 5.9868440E-02 -1.5329669E-02 14 4.2620552E+01 -4.9112537E-03 5.9931575E-01 -5.2239251E-01 2.3805900E-01 -6.1755430E-02 15 2.0926967E+01 2.4182851E-03 3.3539983E-01 -3.1585043E-01 1.7238769E-01 -4.5315090E-02 16 8.9076405E+00 -1.1432608E-03 3.2393577E-02 6.7408916E-01 -4.9714388E-01 1.3815894E-01 17 4.3231995E+00 5.0631651E-04 -2.4836135E-03 6.3789006E-01 -6.6175829E-01 1.9779060E-01 18 1.4648293E+00 -1.7046322E-04 6.0029120E-04 4.8000609E-02 7.7979371E-01 -3.1652456E-01 19 6.2343668E-01 6.8912121E-05 -3.0248553E-04 -5.9137321E-03 6.1273999E-01 -3.2169763E-01 20 9.6575948E-02 -1.5419894E-05 5.9164779E-05 1.2305517E-03 1.9393258E-02 6.9867248E-01 21 3.6265477E-02 7.0717140E-06 -2.5613329E-05 -5.8011669E-04 -3.8124043E-03 4.5679138E-01 2p- 3p- 4p- 5p- 1 4.0638167E+04 9.7500033E-04 -4.3438142E-04 1.6755057E-04 -3.7225453E-05 2 6.7182133E+03 4.1949769E-03 -1.8798344E-03 7.2775003E-04 -1.6134081E-04 3 1.7629155E+03 1.8442265E-02 -8.3255236E-03 3.2106805E-03 -7.1511349E-04 4 5.8550105E+02 7.1813980E-02 -3.3298451E-02 1.2996918E-02 -2.8784117E-03 5 2.2367423E+02 2.1218985E-01 -1.0251386E-01 3.9922515E-02 -8.9238355E-03 6 9.3064926E+01 4.0463794E-01 -2.1097098E-01 8.4652893E-02 -1.8725588E-02 7 4.0779673E+01 3.7611280E-01 -1.6753864E-01 6.1246726E-02 -1.3974950E-02 8 1.7749568E+01 1.0279480E-01 2.7851134E-01 -1.4373684E-01 3.4540601E-02 9 8.0881635E+00 1.9470367E-05 6.0311100E-01 -3.7104699E-01 8.4116085E-02 10 3.7486763E+00 2.0746553E-03 2.5601660E-01 -1.2500777E-02 2.8897375E-03 11 1.5425649E+00 -7.8762151E-04 1.4149902E-02 6.6167997E-01 -2.1102545E-01 12 6.0919424E-01 2.2106291E-04 5.0426399E-04 4.5205553E-01 -9.2731455E-02 13 1.2396187E-01 -5.9487305E-05 2.8991270E-06 2.9757493E-02 5.4877021E-01 14 3.8271093E-02 2.2382680E-05 2.6940638E-06 -6.2570969E-03 5.7378903E-01 2p+ 3p+ 4p+ 5p+ 1 4.0638167E+04 1.4228436E-04 -6.3855829E-05 2.4482833E-05 -5.4034211E-06 2 6.7182133E+03 1.8239625E-03 -8.2409441E-04 3.1901191E-04 -7.0000067E-05 3 1.7629155E+03 1.2797171E-02 -5.8084526E-03 2.2309991E-03 -4.9258260E-04 4 5.8550105E+02 6.0230204E-02 -2.8053191E-02 1.0922481E-02 -2.3977482E-03 5 2.2367423E+02 1.9516344E-01 -9.4649051E-02 3.6735904E-02 -8.1308894E-03 6 9.3064926E+01 3.9664117E-01 -2.0774002E-01 8.3068144E-02 -1.8237070E-02 7 4.0779673E+01 3.9456666E-01 -1.8788256E-01 7.0166837E-02 -1.5754164E-02 8 1.7749568E+01 1.1892316E-01 2.4224979E-01 -1.2493870E-01 2.9641929E-02 9 8.0881635E+00 3.8961012E-04 6.0770547E-01 -3.6974350E-01 8.3557955E-02 10 3.7486763E+00 2.5986745E-03 2.8386530E-01 -5.2609828E-02 1.2063366E-02 11 1.5425649E+00 -1.0126691E-03 1.8532541E-02 6.3798816E-01 -1.9729337E-01 12 6.0919424E-01 2.9553328E-04 3.7757630E-04 4.8956750E-01 -1.1501975E-01 13 1.2396187E-01 -7.8449584E-05 5.3592160E-05 3.7778591E-02 5.0909418E-01 14 3.8271093E-02 2.9599970E-05 -1.5290673E-05 -8.2028547E-03 6.1482151E-01 3d- 4d- 1 7.0079594E+02 2.3846746E-03 -7.3141069E-04 2 2.0426232E+02 1.8953615E-02 -5.8446502E-03 3 7.6870050E+01 8.5162900E-02 -2.6549754E-02 4 3.2488391E+01 2.3877437E-01 -7.5371352E-02 5 1.4467485E+01 4.0228611E-01 -1.2295618E-01 6 6.5526559E+00 3.7030634E-01 -8.5698571E-02 7 2.9003809E+00 1.2375189E-01 1.7001154E-01 8 1.2182132E+00 6.5306054E-03 4.4705843E-01 9 4.6648382E-01 1.3137078E-03 4.4095111E-01 10 1.5677540E-01 -4.2365051E-05 1.9166665E-01 3d+ 4d+ 1 7.0079594E+02 1.9891990E-03 -6.0539526E-04 2 2.0426232E+02 1.7689660E-02 -5.4132476E-03 3 7.6870050E+01 8.2288661E-02 -2.5451758E-02 4 3.2488391E+01 2.3466598E-01 -7.3538117E-02 5 1.4467485E+01 4.0042055E-01 -1.2167863E-01 6 6.5526559E+00 3.7468419E-01 -8.7872486E-02 7 2.9003809E+00 1.2794956E-01 1.6216389E-01 8 1.2182132E+00 6.9852654E-03 4.4113443E-01 9 4.6648382E-01 1.3537910E-03 4.4525031E-01 10 1.5677540E-01 -3.4434232E-05 2.0239922E-01 Small component functions ------------------------- 1s+ 2s+ 3s+ 4s+ 5s+ 1 4.1493633E+07 -7.9313200E-05 2.6682197E-05 -1.1495612E-05 4.7016332E-06 -1.1930277E-06 2 6.8669898E+06 -2.9714378E-04 9.9884311E-05 -4.2960175E-05 1.7610140E-05 -4.4677020E-06 3 1.5342714E+06 -7.8181521E-04 2.6317691E-04 -1.1342910E-04 4.6372951E-05 -1.1767449E-05 4 4.0621857E+05 -1.8419891E-03 6.1968325E-04 -2.6644804E-04 1.0928732E-04 -2.7725072E-05 5 1.2230368E+05 -3.9744132E-03 1.3416144E-03 -5.7872546E-04 2.3646431E-04 -6.0008219E-05 6 4.0715370E+04 -8.0123359E-03 2.7114268E-03 -1.1662033E-03 4.7877574E-04 -1.2145623E-04 7 1.4711121E+04 -1.5100311E-02 5.1764992E-03 -2.2393182E-03 9.1452946E-04 -2.3211501E-04 8 5.6879216E+03 -2.6372020E-02 9.2417626E-03 -3.9917707E-03 1.6422572E-03 -4.1663487E-04 9 2.3273303E+03 -4.1131487E-02 1.5293741E-02 -6.7014133E-03 2.7387717E-03 -6.9545337E-04 10 9.9858590E+02 -5.3093964E-02 2.2122448E-02 -9.7861483E-03 4.0559095E-03 -1.0295807E-03 11 4.4573289E+02 -4.8001733E-02 2.5575676E-02 -1.1881522E-02 4.8845042E-03 -1.2428180E-03 12 2.0407625E+02 -2.2369057E-02 1.5173849E-02 -7.2964371E-03 3.1405984E-03 -7.9872587E-04 13 8.6738474E+01 -2.6677712E-03 -1.2529183E-02 7.5703034E-03 -3.4802766E-03 8.9101452E-04 14 4.2620552E+01 2.0721236E-04 -2.4759231E-02 2.1521952E-02 -9.8035304E-03 2.5430192E-03 15 2.0926967E+01 -7.1364266E-05 -9.7189049E-03 9.1433378E-03 -4.9899733E-03 1.3116847E-03 16 8.9076405E+00 2.1976793E-05 -6.1433040E-04 -1.2709178E-02 9.3682822E-03 -2.6032516E-03 17 4.3231995E+00 -6.7765185E-06 3.3522864E-05 -8.3871603E-03 8.6972369E-03 -2.5994599E-03 18 1.4648293E+00 1.3230206E-06 -4.8741122E-06 -3.6702186E-04 -5.9642839E-03 2.4207439E-03 19 6.2343668E-01 -3.4721372E-07 1.6204697E-06 2.9397239E-05 -3.0577724E-03 1.6052884E-03 20 9.6575948E-02 3.0003932E-08 -1.3938145E-07 -2.3902045E-06 -3.8087245E-05 -1.3721549E-03 21 3.6265477E-02 -8.2372636E-09 4.1844736E-08 6.8515954E-07 4.5874014E-06 -5.4974702E-04 2p- 3p- 4p- 5p- 1 4.0638167E+04 -3.3201529E-04 1.4814199E-04 -5.7030701E-05 1.2695464E-05 2 6.7182133E+03 -1.5379579E-03 6.9086831E-04 -2.6797009E-04 5.9335416E-05 3 1.7629155E+03 -5.0777757E-03 2.2932144E-03 -8.8379318E-04 1.9697071E-04 4 5.8550105E+02 -1.3072128E-02 6.0641035E-03 -2.3678215E-03 5.2426398E-04 5 2.2367423E+02 -2.5074528E-02 1.2120016E-02 -4.7196109E-03 1.0551192E-03 6 9.3064926E+01 -3.1405030E-02 1.6394566E-02 -6.5802449E-03 1.4554997E-03 7 4.0779673E+01 -1.9395978E-02 8.6698421E-03 -3.1715600E-03 7.2386113E-04 8 1.7749568E+01 -3.4145055E-03 -9.5787446E-03 4.9376874E-03 -1.1863997E-03 9 8.0881635E+00 6.1016756E-05 -1.4000602E-02 8.6094265E-03 -1.9517006E-03 10 3.7486763E+00 8.6561081E-06 -4.0487632E-03 2.0170002E-04 -4.6706790E-05 11 1.5425649E+00 2.8089168E-05 -1.4482783E-04 -6.7026332E-03 2.1377272E-03 12 6.0919424E-01 1.3643682E-05 -4.2363425E-06 -2.8772085E-03 5.9023639E-04 13 1.2396187E-01 6.3685972E-06 -4.3272661E-07 -8.4809628E-05 -1.5764584E-03 14 3.8271093E-02 1.7239184E-06 -1.2412687E-07 1.0174384E-05 -9.1584271E-04 2p+ 3p+ 4p+ 5p+ 1 4.0638167E+04 -1.7008648E-04 7.6076452E-05 -2.9116967E-05 6.4310274E-06 2 6.7182133E+03 -1.0708756E-03 4.8235967E-04 -1.8671154E-04 4.0953321E-05 3 1.7629155E+03 -4.1448767E-03 1.8751593E-03 -7.1968189E-04 1.5891012E-04 4 5.8550105E+02 -1.1611719E-02 5.3925866E-03 -2.0987377E-03 4.6066273E-04 5 2.2367423E+02 -2.3606577E-02 1.1419146E-02 -4.4299647E-03 9.8047725E-04 6 9.3064926E+01 -3.1159433E-02 1.6285966E-02 -6.5101877E-03 1.4291898E-03 7 4.0779673E+01 -2.0584220E-02 9.7918701E-03 -3.6573920E-03 8.2116706E-04 8 1.7749568E+01 -4.0974797E-03 -8.3134518E-03 4.2858703E-03 -1.0168368E-03 9 8.0881635E+00 -9.0725605E-06 -1.4101374E-02 8.5767388E-03 -1.9381813E-03 10 3.7486763E+00 -4.1110690E-05 -4.4859252E-03 8.3216228E-04 -1.9087119E-04 11 1.5425649E+00 1.0268443E-05 -1.8787357E-04 -6.4646347E-03 1.9990585E-03 12 6.0919424E-01 -1.8801151E-06 -2.4036980E-06 -3.1176749E-03 7.3245902E-04 13 1.2396187E-01 2.2428232E-07 -1.5413531E-07 -1.0852269E-04 -1.4623793E-03 14 3.8271093E-02 -4.6731087E-08 2.4470723E-08 1.3092133E-05 -9.8130910E-04 3d- 4d- 1 7.0079594E+02 -5.3429376E-04 1.6388119E-04 2 2.0426232E+02 -2.5236611E-03 7.7821857E-04 3 7.6870050E+01 -7.1106990E-03 2.2167895E-03 4 3.2488391E+01 -1.3070140E-02 4.1261149E-03 5 1.4467485E+01 -1.4736366E-02 4.5048215E-03 6 6.5526559E+00 -9.1396715E-03 2.1160531E-03 7 2.9003809E+00 -2.0298439E-03 -2.7941775E-03 8 1.2182132E+00 -6.7933173E-05 -4.7627172E-03 9 4.6648382E-01 -8.0155392E-06 -2.9071606E-03 10 1.5677540E-01 3.5041269E-07 -7.3254415E-04 3d+ 4d+ 1 7.0079594E+02 -4.9069980E-04 1.4927961E-04 2 2.0426232E+02 -2.4089625E-03 7.3692152E-04 3 7.6870050E+01 -6.9283854E-03 2.1422930E-03 4 3.2488391E+01 -1.2889164E-02 4.0381498E-03 5 1.4467485E+01 -1.4695376E-02 4.4647551E-03 6 6.5526559E+00 -9.2593392E-03 2.1715224E-03 7 2.9003809E+00 -2.1041348E-03 -2.6653678E-03 8 1.2182132E+00 -7.4425641E-05 -4.7000420E-03 9 4.6648382E-01 -8.9345131E-06 -2.9356574E-03 10 1.5677540E-01 1.3389493E-07 -7.7363439E-04 ** Pd 106 ** Large component functions ------------------------- 1s+ 2s+ 3s+ 4s+ 5s+ 1 4.2250137E+07 3.4800103E-05 -1.1772791E-05 5.0983505E-06 -2.1047904E-06 5.1006882E-07 2 7.0886856E+06 1.1943732E-04 -4.0512265E-05 1.7542247E-05 -7.2481644E-06 1.7567255E-06 3 1.5971121E+06 3.6174868E-04 -1.2326214E-04 5.3448401E-05 -2.2060273E-05 5.3458356E-06 4 4.2493240E+05 1.0492771E-03 -3.5922685E-04 1.5568686E-04 -6.4383783E-05 1.5606721E-05 5 1.2830722E+05 3.0086331E-03 -1.0375893E-03 4.5091759E-04 -1.8601017E-04 4.5071916E-05 6 4.2780532E+04 8.5064631E-03 -2.9527214E-03 1.2812603E-03 -5.3063642E-04 1.2865617E-04 7 1.5468713E+04 2.3296079E-02 -8.2053965E-03 3.5794847E-03 -1.4755367E-03 3.5749780E-04 8 5.9822261E+03 6.0140976E-02 -2.1670888E-02 9.4446914E-03 -3.9216168E-03 9.5120287E-04 9 2.4475750E+03 1.3940886E-01 -5.3243824E-02 2.3529312E-02 -9.7025647E-03 2.3509252E-03 10 1.0499238E+03 2.6690571E-01 -1.1399695E-01 5.0855793E-02 -2.1281286E-02 5.1682066E-03 11 4.6850207E+02 3.5596207E-01 -1.9367074E-01 9.0680876E-02 -3.7590002E-02 9.1158967E-03 12 2.1446276E+02 2.4410730E-01 -1.6749696E-01 8.0989689E-02 -3.5265703E-02 8.6182173E-03 13 9.1255804E+01 4.4881540E-02 2.1421285E-01 -1.3121778E-01 6.1213650E-02 -1.5125578E-02 14 4.4856634E+01 -4.9467027E-03 5.9883398E-01 -5.2566415E-01 2.4143162E-01 -5.9505279E-02 15 2.2050180E+01 2.4524701E-03 3.3586611E-01 -3.1781115E-01 1.7703351E-01 -4.5184872E-02 16 9.4214589E+00 -1.1697361E-03 3.2615522E-02 6.7870778E-01 -5.1364018E-01 1.3836346E-01 17 4.5974026E+00 5.2301912E-04 -2.5721296E-03 6.3590338E-01 -6.5969549E-01 1.8589479E-01 18 1.5799083E+00 -1.7506606E-04 6.0275127E-04 4.8128892E-02 7.7992852E-01 -2.9992330E-01 19 6.6946587E-01 6.9171066E-05 -2.9945302E-04 -5.5114132E-03 6.1770802E-01 -3.0751172E-01 20 1.0203185E-01 -1.5113059E-05 5.5805878E-05 1.1794416E-03 2.0818305E-02 6.2830814E-01 21 3.7742291E-02 6.8991644E-06 -2.5184073E-05 -5.2762925E-04 -6.0777645E-03 5.1951158E-01 2p- 3p- 4p- 5p- 1 4.3404148E+04 1.0098342E-03 -4.5305785E-04 1.7656277E-04 -4.2515311E-05 2 7.1285296E+03 4.2964971E-03 -1.9390177E-03 7.5826068E-04 -1.8205712E-04 3 1.8590859E+03 1.8710383E-02 -8.5066099E-03 3.3152482E-03 -8.0095345E-04 4 6.1479019E+02 7.2603998E-02 -3.3917289E-02 1.3373245E-02 -3.2054320E-03 5 2.3415757E+02 2.1422138E-01 -1.0427424E-01 4.1054491E-02 -9.9635653E-03 6 9.7217993E+01 4.0708308E-01 -2.1401571E-01 8.6772438E-02 -2.0743970E-02 7 4.2527720E+01 3.7405447E-01 -1.6516550E-01 6.0734005E-02 -1.5204107E-02 8 1.8478880E+01 9.9641483E-02 2.9150197E-01 -1.5327785E-01 4.0562278E-02 9 8.4296008E+00 -2.2737055E-04 6.0607186E-01 -3.7960809E-01 9.2168418E-02 10 3.9009725E+00 1.9872918E-03 2.4181373E-01 1.1996053E-02 -1.5347768E-03 11 1.6338228E+00 -7.8084723E-04 1.1839341E-02 6.6216400E-01 -2.3930887E-01 12 6.4708907E-01 2.0645211E-04 9.4192217E-04 4.4143519E-01 -7.1744679E-02 13 1.2988293E-01 -5.5780067E-05 -4.4692860E-05 3.0936626E-02 6.0068445E-01 14 3.9540680E-02 2.1008046E-05 1.7465962E-05 -5.8389906E-03 5.1922747E-01 2p+ 3p+ 4p+ 5p+ 1 4.3404148E+04 1.4065436E-04 -6.3598586E-05 2.4627468E-05 -5.8987483E-06 2 7.1285296E+03 1.8090948E-03 -8.2378043E-04 3.2197352E-04 -7.6459726E-05 3 1.8590859E+03 1.2772956E-02 -5.8413294E-03 2.2661094E-03 -5.4304297E-04 4 6.1479019E+02 6.0410919E-02 -2.8361587E-02 1.1150390E-02 -2.6488861E-03 5 2.3415757E+02 1.9632789E-01 -9.5966949E-02 3.7632759E-02 -9.0456266E-03 6 9.7217993E+01 3.9889674E-01 -2.1078654E-01 8.5143286E-02 -2.0205613E-02 7 4.2527720E+01 3.9365329E-01 -1.8714298E-01 7.0428534E-02 -1.7316564E-02 8 1.8478880E+01 1.1630119E-01 2.5335685E-01 -1.3289953E-01 3.4789786E-02 9 8.4296008E+00 3.8319469E-05 6.1273593E-01 -3.7980755E-01 9.2025985E-02 10 3.9009725E+00 2.5541298E-03 2.7035000E-01 -3.0788940E-02 9.2688818E-03 11 1.6338228E+00 -1.0289593E-03 1.5865254E-02 6.3930221E-01 -2.2431654E-01 12 6.4708907E-01 2.8645571E-04 9.2967592E-04 4.8039356E-01 -9.8573064E-02 13 1.2988293E-01 -7.5800504E-05 -9.7169007E-06 3.9352355E-02 5.6044988E-01 14 3.9540680E-02 2.8585701E-05 5.9807551E-06 -7.7853822E-03 5.6381674E-01 3d- 4d- 1 6.9281336E+02 2.7464666E-03 -8.4668091E-04 2 2.0191142E+02 2.1616804E-02 -6.6563347E-03 3 7.5842365E+01 9.5542999E-02 -2.9991652E-02 4 3.1980643E+01 2.6021231E-01 -8.1884180E-02 5 1.4164541E+01 4.1855386E-01 -1.2854235E-01 6 6.3798342E+00 3.5030865E-01 -6.3743123E-02 7 2.7449534E+00 9.4893237E-02 2.2716357E-01 8 1.1395386E+00 1.3455790E-03 4.5970921E-01 9 4.2539560E-01 1.2258332E-03 4.0988968E-01 10 1.3646219E-01 -2.9514326E-04 1.6509593E-01 3d+ 4d+ 1 6.9281336E+02 2.2916394E-03 -6.9936951E-04 2 2.0191142E+02 2.0176141E-02 -6.1470057E-03 3 7.5842365E+01 9.2327811E-02 -2.8671522E-02 4 3.1980643E+01 2.5585584E-01 -7.9720784E-02 5 1.4164541E+01 4.1722505E-01 -1.2705272E-01 6 6.3798342E+00 3.5558088E-01 -6.6831895E-02 7 2.7449534E+00 9.8659945E-02 2.1781755E-01 8 1.1395386E+00 1.5177926E-03 4.5405717E-01 9 4.2539560E-01 1.2826254E-03 4.1569707E-01 10 1.3646219E-01 -3.0786614E-04 1.7790116E-01 Small component functions ------------------------- 1s+ 2s+ 3s+ 4s+ 5s+ 1 4.2250137E+07 -8.2302460E-05 2.7796048E-05 -1.2041416E-05 4.9664741E-06 -1.2033871E-06 2 7.0886856E+06 -3.0809653E-04 1.0397148E-04 -4.4963883E-05 1.8591945E-05 -4.5065991E-06 3 1.5971121E+06 -8.0690331E-04 2.7268583E-04 -1.1817366E-04 4.8719272E-05 -1.1803989E-05 4 4.2493240E+05 -1.8949692E-03 6.4001818E-04 -2.7670674E-04 1.1448940E-04 -2.7754469E-05 5 1.2830722E+05 -4.0786361E-03 1.3822144E-03 -5.9951754E-04 2.4700700E-04 -5.9840561E-05 6 4.2780532E+04 -8.2080019E-03 2.7886412E-03 -1.2060354E-03 4.9950430E-04 -1.2110824E-04 7 1.5468713E+04 -1.5448296E-02 5.3164385E-03 -2.3125141E-03 9.5223910E-04 -2.3067256E-04 8 5.9822261E+03 -2.6954416E-02 9.4817653E-03 -4.1181337E-03 1.7094357E-03 -4.1460948E-04 9 2.4475750E+03 -4.2022650E-02 1.5678326E-02 -6.9078300E-03 2.8461560E-03 -6.8953182E-04 10 1.0499238E+03 -5.4267968E-02 2.2671660E-02 -1.0085029E-02 4.2185834E-03 -1.0244260E-03 11 4.6850207E+02 -4.9153839E-02 2.6207250E-02 -1.2242031E-02 5.0720396E-03 -1.2299135E-03 12 2.1446276E+02 -2.3001981E-02 1.5560611E-02 -7.5215362E-03 3.2742236E-03 -8.0011259E-04 13 9.1255804E+01 -2.7687888E-03 -1.2825327E-02 7.8211895E-03 -3.6477633E-03 9.0130023E-04 14 4.4856634E+01 2.1434540E-04 -2.5381635E-02 2.2215769E-02 -1.0198734E-02 2.5135053E-03 15 2.2050180E+01 -7.4369248E-05 -9.9913890E-03 9.4445687E-03 -5.2605319E-03 1.3426078E-03 16 9.4214589E+00 2.3149137E-05 -6.3633670E-04 -1.3159777E-02 9.9538463E-03 -2.6811040E-03 17 4.5974026E+00 -7.2261763E-06 3.5838136E-05 -8.6225486E-03 8.9411050E-03 -2.5194981E-03 18 1.5799083E+00 1.4125815E-06 -5.0999448E-06 -3.8217085E-04 -6.1952318E-03 2.3821706E-03 19 6.6946587E-01 -3.6148489E-07 1.6685595E-06 2.8374120E-05 -3.1943400E-03 1.5901387E-03 20 1.0203185E-01 3.0238555E-08 -1.3708476E-07 -2.3523089E-06 -4.2026860E-05 -1.2683384E-03 21 3.7742291E-02 -8.1944659E-09 4.2450747E-08 6.3389908E-07 7.4618829E-06 -6.3783382E-04 2p- 3p- 4p- 5p- 1 4.3404148E+04 -3.4393599E-04 1.5454291E-04 -6.0121118E-05 1.4515200E-05 2 7.1285296E+03 -1.5877809E-03 7.1845520E-04 -2.8148100E-04 6.7465753E-05 3 1.8590859E+03 -5.2405009E-03 2.3836121E-03 -9.2838837E-04 2.2449567E-04 4 6.1479019E+02 -1.3493107E-02 6.3066619E-03 -2.4876072E-03 5.9603308E-04 5 2.3415757E+02 -2.5864223E-02 1.2596167E-02 -4.9589928E-03 1.2037456E-03 6 9.7217993E+01 -3.2272325E-02 1.6989251E-02 -6.8903351E-03 1.6470735E-03 7 4.2527720E+01 -1.9687767E-02 8.7253665E-03 -3.2108998E-03 8.0410154E-04 8 1.8478880E+01 -3.3673107E-03 -1.0228992E-02 5.3720906E-03 -1.4214404E-03 9 8.4296008E+00 7.1204080E-05 -1.4363703E-02 8.9922090E-03 -2.1832548E-03 10 3.9009725E+00 1.2072570E-05 -3.9014419E-03 -1.8859247E-04 2.3441980E-05 11 1.6338228E+00 2.9293286E-05 -1.2494627E-04 -6.9030238E-03 2.4949251E-03 12 6.4708907E-01 1.5159617E-05 -7.2844146E-06 -2.8955014E-03 4.7053826E-04 13 1.2988293E-01 6.8860601E-06 -3.1883007E-07 -9.0221510E-05 -1.7663331E-03 14 3.9540680E-02 1.8423671E-06 -1.5341674E-07 9.6779770E-06 -8.4239741E-04 2p+ 3p+ 4p+ 5p+ 1 4.3404148E+04 -1.7112808E-04 7.7104126E-05 -2.9803338E-05 7.1470095E-06 2 7.1285296E+03 -1.0869567E-03 4.9337775E-04 -1.9281751E-04 4.5761734E-05 3 1.8590859E+03 -4.2363829E-03 1.9307252E-03 -7.4840217E-04 1.7937015E-04 4 6.1479019E+02 -1.1920402E-02 5.5792327E-03 -2.1925097E-03 5.2076002E-04 5 2.3415757E+02 -2.4287443E-02 1.1839818E-02 -4.6405347E-03 1.1154112E-03 6 9.7217993E+01 -3.2026054E-02 1.6886596E-02 -6.8187743E-03 1.6180721E-03 7 4.2527720E+01 -2.0973955E-02 9.9609333E-03 -3.7492837E-03 9.2183270E-04 8 1.8478880E+01 -4.0891566E-03 -8.8711646E-03 4.6513911E-03 -1.2176468E-03 9 8.4296008E+00 -9.4253143E-07 -1.4515412E-02 8.9942470E-03 -2.1791935E-03 10 3.9009725E+00 -4.1210957E-05 -4.3584409E-03 4.9741605E-04 -1.4975572E-04 11 1.6338228E+00 1.0733409E-05 -1.6552157E-04 -6.6668543E-03 2.3391396E-03 12 6.4708907E-01 -1.8763510E-06 -6.1039368E-06 -3.1529702E-03 6.4696545E-04 13 1.2988293E-01 2.2140520E-07 2.8793733E-08 -1.1571287E-04 -1.6478998E-03 14 3.9540680E-02 -4.5709754E-08 -9.7769022E-09 1.2630643E-05 -9.1470615E-04 3d- 4d- 1 6.9281336E+02 -6.1273948E-04 1.8898791E-04 2 2.0191142E+02 -2.8632066E-03 8.8156538E-04 3 7.5842365E+01 -7.9257313E-03 2.4880687E-03 4 3.1980643E+01 -1.4133477E-02 4.4479932E-03 5 1.4164541E+01 -1.5171643E-02 4.6603056E-03 6 6.3798342E+00 -8.5308346E-03 1.5531930E-03 7 2.7449534E+00 -1.5129711E-03 -3.6321307E-03 8 1.1395386E+00 -1.2330934E-05 -4.7367450E-03 9 4.2539560E-01 -7.0913952E-06 -2.5806074E-03 10 1.3646219E-01 1.2130281E-06 -5.8869192E-04 3d+ 4d+ 1 6.9281336E+02 -5.6197146E-04 1.7144911E-04 2 2.0191142E+02 -2.7317807E-03 8.3194848E-04 3 7.5842365E+01 -7.7221719E-03 2.3973023E-03 4 3.1980643E+01 -1.3943813E-02 4.3435378E-03 5 1.4164541E+01 -1.5151649E-02 4.6130635E-03 6 6.3798342E+00 -8.6711191E-03 1.6299771E-03 7 2.7449534E+00 -1.5784369E-03 -3.4830652E-03 8 1.1395386E+00 -1.5636686E-05 -4.6789487E-03 9 4.2539560E-01 -8.0803750E-06 -2.6173172E-03 10 1.3646219E-01 1.0988680E-06 -6.3441404E-04 ** Ag 107 ** Large component functions ------------------------- 1s+ 2s+ 3s+ 4s+ 5s+ 1 4.3262771E+07 3.6871767E-05 -1.2522560E-05 5.4521038E-06 -2.2802788E-06 5.5306350E-07 2 7.3438521E+06 1.2536911E-04 -4.2692729E-05 1.8585612E-05 -7.7794295E-06 1.8868073E-06 3 1.6664164E+06 3.7597367E-04 -1.2862388E-04 5.6073000E-05 -2.3447157E-05 5.6871952E-06 4 4.4518126E+05 1.0792406E-03 -3.7102784E-04 1.6167132E-04 -6.7728551E-05 1.6427057E-05 5 1.3472950E+05 3.0646893E-03 -1.0615317E-03 4.6382538E-04 -1.9385828E-04 4.7025124E-05 6 4.4971716E+04 8.5949656E-03 -2.9971971E-03 1.3076921E-03 -5.4860699E-04 1.3306358E-04 7 1.6267208E+04 2.3395912E-02 -8.2794686E-03 3.6316452E-03 -1.5169139E-03 3.6801818E-04 8 6.2906215E+03 6.0150968E-02 -2.1776978E-02 9.5434272E-03 -4.0138068E-03 9.7365346E-04 9 2.5729316E+03 1.3910792E-01 -5.3360438E-02 2.3711289E-02 -9.9086876E-03 2.4050110E-03 10 1.1032008E+03 2.6616950E-01 -1.1408609E-01 5.1176927E-02 -2.1690946E-02 5.2654340E-03 11 4.9203286E+02 3.5545300E-01 -1.9368541E-01 9.1187412E-02 -3.8321463E-02 9.3190250E-03 12 2.2515578E+02 2.4468449E-01 -1.6750373E-01 8.1389812E-02 -3.5870632E-02 8.7303743E-03 13 9.5878672E+01 4.5346841E-02 2.1417877E-01 -1.3239705E-01 6.2551671E-02 -1.5347943E-02 14 4.7137542E+01 -4.9904023E-03 5.9852950E-01 -5.2928232E-01 2.4707162E-01 -6.1280877E-02 15 2.3194863E+01 2.4896949E-03 3.3592804E-01 -3.1892596E-01 1.8043297E-01 -4.5585791E-02 16 9.9456397E+00 -1.1975292E-03 3.2728312E-02 6.8450225E-01 -5.3039656E-01 1.4213935E-01 17 4.8766381E+00 5.4021311E-04 -2.6481061E-03 6.3266059E-01 -6.6642602E-01 1.9020080E-01 18 1.6983041E+00 -1.7969163E-04 6.0091082E-04 4.8204836E-02 8.0245397E-01 -3.1136052E-01 19 7.1653300E-01 6.9331814E-05 -2.9484220E-04 -5.1815243E-03 6.0846646E-01 -3.0400503E-01 20 1.0656102E-01 -1.4743758E-05 5.4079622E-05 1.0753829E-03 1.6965197E-02 6.8432850E-01 21 3.8874370E-02 6.7059655E-06 -2.3518481E-05 -4.9707494E-04 -3.9694639E-03 4.6487596E-01 2p- 3p- 4p- 5p- 1 4.9328670E+04 9.9178685E-04 -4.4792598E-04 1.7753106E-04 -3.7061275E-05 2 8.0112579E+03 4.1329822E-03 -1.8768116E-03 7.4636063E-04 -1.5548952E-04 3 2.0672338E+03 1.7712878E-02 -8.1055115E-03 3.2123544E-03 -6.7234753E-04 4 6.7872678E+02 6.8689480E-02 -3.2245465E-02 1.2929488E-02 -2.6904636E-03 5 2.5729010E+02 2.0522843E-01 -1.0037150E-01 4.0176801E-02 -8.4409256E-03 6 1.0652718E+02 3.9979168E-01 -2.1071490E-01 8.6870927E-02 -1.8056242E-02 7 4.6543086E+01 3.8420429E-01 -1.7751412E-01 6.7384922E-02 -1.4450532E-02 8 2.0283321E+01 1.1042199E-01 2.6598141E-01 -1.4320011E-01 3.2532526E-02 9 9.2701804E+00 2.2955557E-04 6.0960713E-01 -3.8862763E-01 8.2951056E-02 10 4.3102178E+00 2.2039418E-03 2.6094123E-01 -8.8675433E-03 1.5017681E-03 11 1.7847897E+00 -8.6855435E-04 1.4635681E-02 6.7504491E-01 -2.0318494E-01 12 7.0250163E-01 2.3206363E-04 6.4023639E-04 4.4143191E-01 -7.9680867E-02 13 1.3758511E-01 -6.0847374E-05 5.0263660E-06 2.6233836E-02 5.3703334E-01 14 4.1247105E-02 2.2773805E-05 7.9683144E-07 -5.4685780E-03 5.8542535E-01 2p+ 3p+ 4p+ 5p+ 1 4.9328670E+04 1.2624954E-04 -5.7520907E-05 2.2655723E-05 -4.6794240E-06 2 8.0112579E+03 1.6369753E-03 -7.5041604E-04 2.9838437E-04 -6.1261987E-05 3 2.0672338E+03 1.1727424E-02 -5.4018141E-03 2.1314378E-03 -4.4041569E-04 4 6.7872678E+02 5.6305691E-02 -2.6575607E-02 1.0627459E-02 -2.1829868E-03 5 2.5729010E+02 1.8661359E-01 -9.1693683E-02 3.6566842E-02 -7.5745824E-03 6 1.0652718E+02 3.9008566E-01 -2.0669375E-01 8.4896218E-02 -1.7443791E-02 7 4.6543086E+01 4.0363072E-01 -1.9913244E-01 7.7098637E-02 -1.6195653E-02 8 2.0283321E+01 1.2886415E-01 2.2551069E-01 -1.2159975E-01 2.7153221E-02 9 9.2701804E+00 8.2405479E-04 6.1383254E-01 -3.8684302E-01 8.2029572E-02 10 4.3102178E+00 2.7788767E-03 2.9174358E-01 -5.4429637E-02 1.1290895E-02 11 1.7847897E+00 -1.1188858E-03 1.9507643E-02 6.5017775E-01 -1.8844994E-01 12 7.0250163E-01 3.1225422E-04 5.4337345E-04 4.8282130E-01 -1.0307895E-01 13 1.3758511E-01 -8.0608540E-05 5.5887410E-05 3.4302816E-02 4.9364403E-01 14 4.1247105E-02 3.0234595E-05 -1.7025060E-05 -7.4472335E-03 6.2975945E-01 3d- 4d- 1 7.9209849E+02 2.3790646E-03 -7.7680104E-04 2 2.3019761E+02 1.8860916E-02 -6.1748192E-03 3 8.6582096E+01 8.5229052E-02 -2.8315813E-02 4 3.6624121E+01 2.4046684E-01 -8.0659123E-02 5 1.6344231E+01 4.0623566E-01 -1.3277282E-01 6 7.4406801E+00 3.6817054E-01 -8.5029949E-02 7 3.3002357E+00 1.1689039E-01 1.9481536E-01 8 1.4101835E+00 4.9974072E-03 4.5696760E-01 9 5.4902325E-01 1.3161850E-03 4.2290999E-01 10 1.8741003E-01 -1.7335978E-04 1.6949837E-01 3d+ 4d+ 1 7.9209849E+02 1.9457318E-03 -6.2998325E-04 2 2.3019761E+02 1.7469285E-02 -5.6700170E-03 3 8.6582096E+01 8.2053613E-02 -2.7020621E-02 4 3.6624121E+01 2.3594916E-01 -7.8506194E-02 5 1.6344231E+01 4.0429638E-01 -1.3127738E-01 6 7.4406801E+00 3.7311952E-01 -8.7854683E-02 7 3.3002357E+00 1.2130137E-01 1.8571245E-01 8 1.4101835E+00 5.4056398E-03 4.5100371E-01 9 5.4902325E-01 1.3672009E-03 4.2842819E-01 10 1.8741003E-01 -1.7467770E-04 1.8112419E-01 Small component functions ------------------------- 1s+ 2s+ 3s+ 4s+ 5s+ 1 4.3262771E+07 -8.5203689E-05 2.8888184E-05 -1.2581658E-05 5.2573442E-06 -1.2751609E-06 2 7.3438521E+06 -3.1870562E-04 1.0797207E-04 -4.6943671E-05 1.9662982E-05 -4.7687535E-06 3 1.6664164E+06 -8.3128382E-04 2.8202356E-04 -1.2287551E-04 5.1323575E-05 -1.2448700E-05 4 4.4518126E+05 -1.9466494E-03 6.6005766E-04 -2.8689810E-04 1.2024579E-04 -2.9161970E-05 5 1.3472950E+05 -4.1807606E-03 1.4223874E-03 -6.2025142E-04 2.5891934E-04 -6.2804192E-05 6 4.4971716E+04 -8.4006556E-03 2.8653526E-03 -1.2458564E-03 5.2266786E-04 -1.2675679E-04 7 1.6267208E+04 -1.5792740E-02 5.4560544E-03 -2.3859934E-03 9.9551277E-04 -2.4150041E-04 8 6.2906215E+03 -2.7534235E-02 9.7221604E-03 -4.2452338E-03 1.7848882E-03 -4.3291881E-04 9 2.5729316E+03 -4.2914918E-02 1.6064864E-02 -7.1162605E-03 2.9712346E-03 -7.2110353E-04 10 1.1032008E+03 -5.5450789E-02 2.3225118E-02 -1.0386844E-02 4.4005302E-03 -1.0681141E-03 11 4.9203286E+02 -5.0320206E-02 2.6844837E-02 -1.2607456E-02 5.2953462E-03 -1.2876319E-03 12 2.2515578E+02 -2.3643515E-02 1.5947298E-02 -7.7461914E-03 3.4129924E-03 -8.3065724E-04 13 9.5878672E+01 -2.8704406E-03 -1.3138491E-02 8.0837320E-03 -3.8181538E-03 9.3670165E-04 14 4.7137542E+01 2.2191439E-04 -2.6007500E-02 2.2928457E-02 -1.0697840E-02 2.6531981E-03 15 2.3194863E+01 -7.7517815E-05 -1.0250604E-02 9.7215248E-03 -5.4994891E-03 1.3894037E-03 16 9.9456397E+00 2.4375384E-05 -6.5629047E-04 -1.3635989E-02 1.0560012E-02 -2.8296531E-03 17 4.8766381E+00 -7.6952467E-06 3.8046021E-05 -8.8357284E-03 9.3028403E-03 -2.6550526E-03 18 1.6983041E+00 1.5048459E-06 -5.2926981E-06 -3.9683954E-04 -6.6086953E-03 2.5639879E-03 19 7.1653300E-01 -3.7518750E-07 1.7068260E-06 2.7580479E-05 -3.2553037E-03 1.6263305E-03 20 1.0656102E-01 3.0155150E-08 -1.3710077E-07 -2.1879313E-06 -3.5001024E-05 -1.4117522E-03 21 3.8874370E-02 -8.0773971E-09 4.1306495E-08 6.0459030E-07 4.9462780E-06 -5.7925187E-04 2p- 3p- 4p- 5p- 1 4.9328670E+04 -3.3570745E-04 1.5189559E-04 -6.0092894E-05 1.2570541E-05 2 8.0112579E+03 -1.5464156E-03 7.0412180E-04 -2.8058097E-04 5.8373375E-05 3 2.0672338E+03 -5.1256059E-03 2.3469086E-03 -9.2949675E-04 1.9468764E-04 4 6.7872678E+02 -1.3305524E-02 6.2495152E-03 -2.5069525E-03 5.2150629E-04 5 2.5729010E+02 -2.5891238E-02 1.2669546E-02 -5.0709740E-03 1.0655631E-03 6 1.0652718E+02 -3.3135012E-02 1.7487699E-02 -7.2118590E-03 1.4988981E-03 7 4.6543086E+01 -2.1147156E-02 9.8072877E-03 -3.7256813E-03 7.9919163E-04 8 2.0283321E+01 -3.9175383E-03 -9.7794403E-03 5.2576594E-03 -1.1942684E-03 9 9.2701804E+00 6.7189221E-05 -1.5150705E-02 9.6534758E-03 -2.0604348E-03 10 4.3102178E+00 1.1919769E-05 -4.4253968E-03 1.5556663E-04 -2.6710146E-05 11 1.7847897E+00 3.3333056E-05 -1.6117141E-04 -7.3550243E-03 2.2139388E-03 12 7.0250163E-01 1.6693031E-05 -5.5728378E-06 -3.0167537E-03 5.4455222E-04 13 1.3758511E-01 7.6348692E-06 -5.0333515E-07 -7.8543232E-05 -1.6253215E-03 14 4.1247105E-02 1.9413633E-06 -1.3051922E-07 9.2836823E-06 -9.7006770E-04 2p+ 3p+ 4p+ 5p+ 1 4.9328670E+04 -1.5958643E-04 7.2453051E-05 -2.8480956E-05 5.8878267E-06 2 8.0112579E+03 -1.0307675E-03 4.7093330E-04 -1.8724069E-04 3.8424685E-05 3 2.0672338E+03 -4.0801466E-03 1.8726213E-03 -7.3824447E-04 1.5255534E-04 4 6.7872678E+02 -1.1645888E-02 5.4788995E-03 -2.1899497E-03 4.4976743E-04 5 2.5729010E+02 -2.4174464E-02 1.1844237E-02 -4.7208005E-03 9.7785566E-04 6 1.0652718E+02 -3.2771937E-02 1.7324588E-02 -7.1132438E-03 1.4614744E-03 7 4.6543086E+01 -2.2496806E-02 1.1085480E-02 -4.2923969E-03 9.0166903E-04 8 2.0283321E+01 -4.7475794E-03 -8.2695771E-03 4.4570857E-03 -9.9528461E-04 9 9.2701804E+00 -2.0482415E-05 -1.5248753E-02 9.6062149E-03 -2.0369039E-03 10 4.3102178E+00 -4.7185499E-05 -4.9440124E-03 9.2342068E-04 -1.9163796E-04 11 1.7847897E+00 1.2221008E-05 -2.1272892E-04 -7.0865602E-03 2.0538944E-03 12 7.0250163E-01 -2.1383875E-06 -3.7162616E-06 -3.3018225E-03 7.0490312E-04 13 1.3758511E-01 2.4378983E-07 -1.6912642E-07 -1.0381245E-04 -1.4938851E-03 14 4.1247105E-02 -4.9909444E-08 2.8201171E-08 1.2339701E-05 -1.0435008E-03 3d- 4d- 1 7.9209849E+02 -5.5830943E-04 1.8234675E-04 2 2.3019761E+02 -2.6542473E-03 8.6893087E-04 3 8.6582096E+01 -7.5395776E-03 2.5049532E-03 4 3.6624121E+01 -1.3966263E-02 4.6851558E-03 5 1.6344231E+01 -1.5812258E-02 5.1690807E-03 6 7.4406801E+00 -9.6815739E-03 2.2371920E-03 7 3.3002357E+00 -2.0442320E-03 -3.4152280E-03 8 1.4101835E+00 -5.5288416E-05 -5.2377307E-03 9 5.4902325E-01 -8.6003642E-06 -3.0248068E-03 10 1.8741003E-01 9.6642973E-07 -7.0826662E-04 3d+ 4d+ 1 7.9209849E+02 -5.0816232E-04 1.6446174E-04 2 2.3019761E+02 -2.5212932E-03 8.1799265E-04 3 8.6582096E+01 -7.3270055E-03 2.4119669E-03 4 3.6624121E+01 -1.3756351E-02 4.5757546E-03 5 1.6344231E+01 -1.5769589E-02 5.1193562E-03 6 7.4406801E+00 -9.8258608E-03 2.3136804E-03 7 3.3002357E+00 -2.1279961E-03 -3.2559705E-03 8 1.4101835E+00 -6.1962373E-05 -5.1699563E-03 9 5.4902325E-01 -9.7905161E-06 -3.0644768E-03 10 1.8741003E-01 7.3287739E-07 -7.5694162E-04 ** Cd 114 ** Large component functions ------------------------- 1s+ 2s+ 3s+ 4s+ 5s+ 1 4.3548972E+07 3.9254384E-05 -1.3383945E-05 5.8568262E-06 -2.4803904E-06 6.1294660E-07 2 7.5326416E+06 1.3190395E-04 -4.5096944E-05 1.9732447E-05 -8.3632979E-06 2.0672342E-06 3 1.7299907E+06 3.9083591E-04 -1.3424214E-04 5.8821246E-05 -2.4906657E-05 6.1542674E-06 4 4.6568758E+05 1.1080224E-03 -3.8251985E-04 1.6753665E-04 -7.1066724E-05 1.7570354E-05 5 1.4163463E+05 3.1100451E-03 -1.0818466E-03 4.7513811E-04 -2.0110209E-04 4.9680718E-05 6 4.7425871E+04 8.6355088E-03 -3.0252679E-03 1.3268297E-03 -5.6361082E-04 1.3940207E-04 7 1.7189049E+04 2.3326985E-02 -8.2923288E-03 3.6562261E-03 -1.5466198E-03 3.8196556E-04 8 6.6551818E+03 5.9661059E-02 -2.1698568E-02 9.5589085E-03 -4.0705774E-03 1.0074707E-03 9 2.7239607E+03 1.3764136E-01 -5.2980920E-02 2.3663679E-02 -1.0015425E-02 2.4729433E-03 10 1.1683615E+03 2.6364447E-01 -1.1323928E-01 5.1052342E-02 -2.1906970E-02 5.4313517E-03 11 5.2112041E+02 3.5448756E-01 -1.9266065E-01 9.1120437E-02 -3.8792465E-02 9.5794866E-03 12 2.3846300E+02 2.4774447E-01 -1.6967788E-01 8.2808337E-02 -3.6913171E-02 9.2386348E-03 13 1.0206411E+02 4.7391942E-02 2.0361296E-01 -1.2637002E-01 6.0539192E-02 -1.5383503E-02 14 5.0257115E+01 -4.9576386E-03 5.9555230E-01 -5.2598251E-01 2.4896861E-01 -6.2376514E-02 15 2.4754918E+01 2.5175359E-03 3.4654632E-01 -3.3521744E-01 1.9114740E-01 -5.0400050E-02 16 1.0606417E+01 -1.2235610E-03 3.5250432E-02 6.7526210E-01 -5.3172871E-01 1.4813314E-01 17 5.2288563E+00 5.6673588E-04 -3.1205340E-03 6.4274288E-01 -6.8712488E-01 1.9666269E-01 18 1.8629696E+00 -1.9648083E-04 7.4925306E-04 5.2003729E-02 7.7556837E-01 -2.9922534E-01 19 8.0317200E-01 7.7635231E-05 -3.5889324E-04 -5.5141984E-03 6.4171869E-01 -3.4336924E-01 20 1.3459660E-01 -1.6854713E-05 6.7341785E-05 1.1782564E-03 1.9998068E-02 5.9811730E-01 21 4.7936628E-02 7.2152121E-06 -2.8154430E-05 -4.9839834E-04 -5.7139932E-03 5.6648254E-01 2p- 3p- 4p- 5p- 1 5.5868952E+04 9.7682912E-04 -4.4396441E-04 1.7867077E-04 -3.3174461E-05 2 8.9783553E+03 3.9926051E-03 -1.8237057E-03 7.3634643E-04 -1.3653253E-04 3 2.2925407E+03 1.6836391E-02 -7.7526522E-03 3.1196210E-03 -5.8035384E-04 4 7.4725119E+02 6.5178605E-02 -3.0737630E-02 1.2513693E-02 -2.3187133E-03 5 2.8190439E+02 1.9691326E-01 -9.6754435E-02 3.9313841E-02 -7.3366908E-03 6 1.1638959E+02 3.9242646E-01 -2.0726781E-01 8.6744489E-02 -1.6074239E-02 7 5.0792843E+01 3.9289661E-01 -1.8846369E-01 7.3491638E-02 -1.3895581E-02 8 2.2225736E+01 1.2119487E-01 2.4089108E-01 -1.3269560E-01 2.6560899E-02 9 1.0164330E+01 1.1177337E-03 6.1199019E-01 -3.9641067E-01 7.6100894E-02 10 4.7403972E+00 2.2906876E-03 2.7994258E-01 -2.9187305E-02 4.0591086E-03 11 1.9412109E+00 -9.0617441E-04 1.7424812E-02 6.8682380E-01 -1.7781575E-01 12 7.5979622E-01 2.4147051E-04 3.4067614E-04 4.4085750E-01 -8.3642449E-02 13 1.4550567E-01 -6.2032845E-05 5.3286679E-05 2.2690901E-02 4.9063859E-01 14 4.2914264E-02 2.3187758E-05 -1.8776726E-05 -4.7395237E-03 6.3169898E-01 2p+ 3p+ 4p+ 5p+ 1 5.5868952E+04 1.1385935E-04 -5.2258784E-05 2.0903132E-05 -3.8249710E-06 2 8.9783553E+03 1.4863679E-03 -6.8568332E-04 2.7692163E-04 -5.0490954E-05 3 2.2925407E+03 1.0797861E-02 -5.0084829E-03 2.0068977E-03 -3.6735551E-04 4 7.4725119E+02 5.2600938E-02 -2.4952356E-02 1.0133065E-02 -1.8485715E-03 5 2.8190439E+02 1.7759039E-01 -8.7707723E-02 3.5515101E-02 -6.5141328E-03 6 1.1638959E+02 3.8121817E-01 -2.0247449E-01 8.4424076E-02 -1.5422514E-02 7 5.0792843E+01 4.1200895E-01 -2.0962454E-01 8.3168513E-02 -1.5373279E-02 8 2.2225736E+01 1.4142654E-01 1.9820034E-01 -1.0993498E-01 2.1507900E-02 9 1.0164330E+01 2.1606612E-03 6.1350261E-01 -3.9243529E-01 7.4625089E-02 10 4.7403972E+00 2.8459650E-03 3.1307226E-01 -7.7622192E-02 1.3145215E-02 11 1.9412109E+00 -1.1479676E-03 2.3170576E-02 6.5993401E-01 -1.6339183E-01 12 7.5979622E-01 3.1836644E-04 1.5967361E-04 4.8465026E-01 -1.0474156E-01 13 1.4550567E-01 -8.0766887E-05 1.2008726E-04 3.0440894E-02 4.4559459E-01 14 4.2914264E-02 3.0247352E-05 -4.3131765E-05 -6.6595540E-03 6.7526542E-01 3d- 4d- 1 8.9096106E+02 2.1248249E-03 -7.2290270E-04 2 2.5820410E+02 1.6909489E-02 -5.7836419E-03 3 9.7180147E+01 7.7743279E-02 -2.6901328E-02 4 4.1199295E+01 2.2536601E-01 -7.9101892E-02 5 1.8492864E+01 3.9544303E-01 -1.3525594E-01 6 8.4892045E+00 3.8006137E-01 -1.0022034E-01 7 3.8439630E+00 1.3505304E-01 1.7014225E-01 8 1.6748988E+00 8.3841962E-03 4.5240363E-01 9 6.7198647E-01 9.2236054E-04 4.3268829E-01 10 2.3912538E-01 -2.2330133E-04 1.7609882E-01 3d+ 4d+ 1 8.9096106E+02 1.7044318E-03 -5.7543218E-04 2 2.5820410E+02 1.5544944E-02 -5.2764721E-03 3 9.7180147E+01 7.4574195E-02 -2.5601499E-02 4 4.1199295E+01 2.2069625E-01 -7.6905132E-02 5 1.8492864E+01 3.9301451E-01 -1.3367687E-01 6 8.4892045E+00 3.8472408E-01 -1.0285904E-01 7 3.8439630E+00 1.4000333E-01 1.6103358E-01 8 1.6748988E+00 9.0353183E-03 4.4599108E-01 9 6.7198647E-01 9.5521311E-04 4.3796374E-01 10 2.3912538E-01 -2.2914536E-04 1.8747414E-01 Small component functions ------------------------- 1s+ 2s+ 3s+ 4s+ 5s+ 1 4.3548972E+07 -8.8370958E-05 3.0077471E-05 -1.3166455E-05 5.5710058E-06 -1.3762778E-06 2 7.5326416E+06 -3.3023191E-04 1.1231773E-04 -4.9081262E-05 2.0816394E-05 -5.1466927E-06 3 1.7299907E+06 -8.5591075E-04 2.9149505E-04 -1.2764915E-04 5.3990425E-05 -1.3336176E-05 4 4.6568758E+05 -1.9950907E-03 6.7917748E-04 -2.9671151E-04 1.2591706E-04 -3.1138220E-05 5 1.4163463E+05 -4.2692847E-03 1.4580710E-03 -6.3905054E-04 2.7014137E-04 -6.6713951E-05 6 4.7425871E+04 -8.5559077E-03 2.9299761E-03 -1.2804521E-03 5.4389804E-04 -1.3453981E-04 7 1.7189049E+04 -1.6054385E-02 5.5667597E-03 -2.4467847E-03 1.0338317E-03 -2.5525424E-04 8 6.6551818E+03 -2.7960215E-02 9.9082561E-03 -4.3484754E-03 1.8510887E-03 -4.5814446E-04 9 2.7239607E+03 -4.3593485E-02 1.6358516E-02 -7.2825103E-03 3.0794550E-03 -7.6021361E-04 10 1.1683615E+03 -5.6484098E-02 2.3682963E-02 -1.0643201E-02 4.5650097E-03 -1.1317365E-03 11 5.2112041E+02 -5.1657560E-02 2.7460482E-02 -1.2954014E-02 5.5116393E-03 -1.3609060E-03 12 2.3846300E+02 -2.4655190E-02 1.6622914E-02 -8.1091257E-03 3.6137402E-03 -9.0437175E-04 13 1.0206411E+02 -3.0983461E-03 -1.2874663E-02 7.9505659E-03 -3.8077853E-03 9.6762948E-04 14 5.0257115E+01 2.2789828E-04 -2.6720183E-02 2.3523020E-02 -1.1128448E-02 2.7878842E-03 15 2.4754918E+01 -8.1064693E-05 -1.0926023E-02 1.0556121E-02 -6.0187093E-03 1.5868520E-03 16 1.0606417E+01 2.5746388E-05 -7.2996284E-04 -1.3890684E-02 1.0931426E-02 -3.0450622E-03 17 5.2288563E+00 -8.3683948E-06 4.6280679E-05 -9.2955041E-03 9.9322762E-03 -2.8427243E-03 18 1.8629696E+00 1.7252455E-06 -6.8463052E-06 -4.4838529E-04 -6.6897179E-03 2.5806973E-03 19 8.0317200E-01 -4.4533163E-07 2.1797785E-06 3.1063934E-05 -3.6348618E-03 1.9447943E-03 20 1.3459660E-01 3.8835547E-08 -1.8635525E-07 -2.6932878E-06 -4.6372173E-05 -1.3867467E-03 21 4.7936628E-02 -9.6707305E-09 5.2426603E-08 6.7188751E-07 7.9076796E-06 -7.8382482E-04 2p- 3p- 4p- 5p- 1 5.5868952E+04 -3.2871432E-04 1.4972348E-04 -6.0143675E-05 1.1183735E-05 2 8.9783553E+03 -1.5098157E-03 6.9149342E-04 -2.7981038E-04 5.1829512E-05 3 2.2925407E+03 -5.0224232E-03 2.3145198E-03 -9.3067135E-04 1.7323608E-04 4 7.4725119E+02 -1.3135762E-02 6.1981571E-03 -2.5245640E-03 4.6767686E-04 5 2.8190439E+02 -2.5916228E-02 1.2741395E-02 -5.1766738E-03 9.6619320E-04 6 1.1638959E+02 -3.3951126E-02 1.7956211E-02 -7.5173706E-03 1.3929509E-03 7 5.0792843E+01 -2.2581756E-02 1.0873038E-02 -4.2431050E-03 8.0245839E-04 8 2.2225736E+01 -4.5084518E-03 -9.2724605E-03 5.0993468E-03 -1.0205330E-03 9 1.0164330E+01 5.1722587E-05 -1.5926559E-02 1.0310197E-02 -1.9792211E-03 10 4.7403972E+00 1.4076945E-05 -4.9789748E-03 5.2453832E-04 -7.3384379E-05 11 1.9412109E+00 3.7111184E-05 -1.9989831E-04 -7.8041520E-03 2.0205560E-03 12 7.5979622E-01 1.8420308E-05 -3.7104644E-06 -3.1331117E-03 5.9450278E-04 13 1.4550567E-01 8.4175285E-06 -6.9259548E-07 -6.9657281E-05 -1.5270603E-03 14 4.2914264E-02 2.0485813E-06 -1.0167684E-07 8.2511220E-06 -1.0676841E-03 2p+ 3p+ 4p+ 5p+ 1 5.5868952E+04 -1.4913958E-04 6.8213983E-05 -2.7227181E-05 4.9849439E-06 2 8.9783553E+03 -9.7899046E-04 4.5001638E-04 -1.8173448E-04 3.3124228E-05 3 2.2925407E+03 -3.9344256E-03 1.8181161E-03 -7.2782886E-04 1.3322964E-04 4 7.4725119E+02 -1.1386868E-02 5.3830750E-03 -2.1849467E-03 3.9854633E-04 5 2.8190439E+02 -2.4054814E-02 1.1844149E-02 -4.7931478E-03 8.7911403E-04 6 1.1638959E+02 -3.3463647E-02 1.7729587E-02 -7.3896718E-03 1.3498529E-03 7 5.0792843E+01 -2.3987839E-02 1.2187725E-02 -4.8356154E-03 8.9383369E-04 8 2.2225736E+01 -5.4548755E-03 -7.6045809E-03 4.2160312E-03 -8.2483775E-04 9 1.0164330E+01 -5.6241160E-05 -1.5958085E-02 1.0203593E-02 -1.9402207E-03 10 4.7403972E+00 -5.0729778E-05 -5.5640595E-03 1.3805293E-03 -2.3389571E-04 11 1.9412109E+00 1.3096388E-05 -2.6352132E-04 -7.5014331E-03 1.8571682E-03 12 7.5979622E-01 -2.2738391E-06 -1.1351777E-06 -3.4468607E-03 7.4490399E-04 13 1.4550567E-01 2.5246720E-07 -3.7369081E-07 -9.4739133E-05 -1.3867465E-03 14 4.2914264E-02 -5.1388204E-08 7.2854557E-08 1.1255021E-05 -1.1412914E-03 3d- 4d- 1 8.9096106E+02 -5.2054127E-04 1.7711365E-04 2 2.5820410E+02 -2.5080041E-03 8.5783278E-04 3 9.7180147E+01 -7.2722795E-03 2.5164272E-03 4 4.1199295E+01 -1.3872118E-02 4.8695521E-03 5 1.8492864E+01 -1.6367184E-02 5.5993473E-03 6 8.4892045E+00 -1.0673970E-02 2.8161589E-03 7 3.8439630E+00 -2.5494335E-03 -3.2187890E-03 8 1.6748988E+00 -1.0226335E-04 -5.6510288E-03 9 6.7198647E-01 -6.2922061E-06 -3.4237780E-03 10 2.3912538E-01 1.3878207E-06 -8.3117838E-04 3d+ 4d+ 1 8.9096106E+02 -4.7027733E-04 1.5868782E-04 2 2.5820410E+02 -2.3722156E-03 8.0485035E-04 3 9.7180147E+01 -7.0495845E-03 2.4191872E-03 4 4.1199295E+01 -1.3642718E-02 4.7525066E-03 5 1.8492864E+01 -1.6304185E-02 5.5442191E-03 6 8.4892045E+00 -1.0821420E-02 2.8931385E-03 7 3.8439630E+00 -2.6507712E-03 -3.0467281E-03 8 1.6748988E+00 -1.1287995E-04 -5.5716627E-03 9 6.7198647E-01 -7.5769251E-06 -3.4657822E-03 10 2.3912538E-01 1.0866411E-06 -8.8500426E-04 Spin-free Dirac-Hartree-Fock basis sets ======================================= ** Y 89 ** Large component functions ------------------------- 1s 2s 3s 4s 5s 1 3.5184215E+07 2.2933283E-05 -7.5431643E-06 3.1189638E-06 -1.1420807E-06 3.0519636E-07 2 5.3458048E+06 8.5098021E-05 -2.8054913E-05 1.1598101E-05 -4.2496185E-06 1.1361833E-06 3 1.1368857E+06 2.7972267E-04 -9.2604827E-05 3.8335432E-05 -1.4034216E-05 3.7492378E-06 4 2.9293030E+05 8.8185549E-04 -2.9294767E-04 1.2117394E-04 -4.4430437E-05 1.1884608E-05 5 8.6898975E+04 2.7227048E-03 -9.1013231E-04 3.7747068E-04 -1.3812096E-04 3.6878229E-05 6 2.8724884E+04 8.1634594E-03 -2.7416748E-03 1.1349065E-03 -4.1658802E-04 1.1151486E-04 7 1.0352413E+04 2.3308463E-02 -7.9431733E-03 3.3056001E-03 -1.2089248E-03 3.2253942E-04 8 4.0031519E+03 6.1777194E-02 -2.1541121E-02 8.9539505E-03 -3.2933230E-03 8.8251671E-04 9 1.6406116E+03 1.4488374E-01 -5.3782503E-02 2.2672502E-02 -8.2965295E-03 2.2114388E-03 10 7.0565042E+02 2.7627222E-01 -1.1549301E-01 4.9155479E-02 -1.8198066E-02 4.8881028E-03 11 3.1589252E+02 3.5913540E-01 -1.9502703E-01 8.7184478E-02 -3.2077877E-02 8.5324471E-03 12 1.4495730E+02 2.3308889E-01 -1.6083465E-01 7.4388930E-02 -2.8475612E-02 7.7654105E-03 13 6.0853658E+01 3.8455312E-02 2.3713330E-01 -1.3621988E-01 5.4837729E-02 -1.5161078E-02 14 2.9725284E+01 -4.5466606E-03 6.0474626E-01 -5.0761744E-01 2.0541493E-01 -5.4851942E-02 15 1.4489865E+01 2.1306677E-03 3.1321328E-01 -2.7621833E-01 1.2884356E-01 -3.7105042E-02 16 6.0456256E+00 -9.4478676E-04 2.7244055E-02 6.6635652E-01 -4.0056046E-01 1.1792770E-01 17 2.8027764E+00 3.8167062E-04 -1.4241442E-03 6.2793606E-01 -5.8302187E-01 1.7350907E-01 18 8.3435215E-01 -1.3595618E-04 4.7229873E-04 4.3446431E-02 6.6901888E-01 -2.5020212E-01 19 3.7032680E-01 6.6497440E-05 -2.7915848E-04 -8.5796441E-03 6.3488384E-01 -4.0812517E-01 20 6.7383567E-02 -1.7659585E-05 6.5078038E-05 1.9436337E-03 2.9824007E-02 6.0482979E-01 21 2.7333396E-02 8.1297222E-06 -2.9103410E-05 -8.9015579E-04 -6.5070944E-03 5.7387836E-01 2p 3p 4p 5p 1 2.2772024E+04 4.1650152E-04 -1.7638170E-04 5.8771993E-05 -1.4409983E-05 2 3.9885065E+03 3.0219418E-03 -1.2897249E-03 4.3303379E-04 -1.0601782E-04 3 1.0967695E+03 1.7372162E-02 -7.4554014E-03 2.4831895E-03 -6.0932775E-04 4 3.7559973E+02 7.3859657E-02 -3.2632662E-02 1.1029946E-02 -2.7009508E-03 5 1.4642525E+02 2.2032289E-01 -1.0138095E-01 3.4056928E-02 -8.3702515E-03 6 6.1690244E+01 4.1048342E-01 -2.0431677E-01 7.0870487E-02 -1.7364907E-02 7 2.7225180E+01 3.6592571E-01 -1.5308949E-01 4.7822165E-02 -1.1812800E-02 8 1.1814601E+01 9.4457638E-02 2.7536375E-01 -1.1581349E-01 2.9541462E-02 9 5.3078669E+00 2.1814232E-04 5.8227987E-01 -2.9466174E-01 7.4094016E-02 10 2.4159224E+00 1.9385475E-03 2.7948399E-01 -6.2440877E-02 1.5333650E-02 11 9.1207885E-01 -6.1346667E-04 1.9040974E-02 5.7624749E-01 -1.8275324E-01 12 3.5515707E-01 2.1911576E-04 -9.7834809E-04 5.3179415E-01 -1.7744635E-01 13 7.8067552E-02 -6.4394264E-05 2.4086023E-04 5.2742998E-02 5.0974382E-01 14 2.7191194E-02 2.6238894E-05 -9.9413932E-05 -1.1701362E-02 6.1265690E-01 3d 4d 1 5.3671038E+02 1.6730934E-03 -3.1914758E-04 2 1.5734387E+02 1.4309357E-02 -2.7840377E-03 3 5.9444411E+01 6.6163104E-02 -1.2762479E-02 4 2.5144495E+01 1.9402551E-01 -3.8503064E-02 5 1.1237626E+01 3.5348153E-01 -6.7025889E-02 6 5.0620196E+00 3.9577161E-01 -7.3503608E-02 7 2.2275210E+00 2.1619632E-01 2.6022108E-02 8 8.2885207E-01 2.9539537E-02 2.8099255E-01 9 2.8690534E-01 -1.6149081E-03 4.7445747E-01 10 8.9096778E-02 6.0722921E-04 4.6790050E-01 Pseudo-large component functions -------------------------------- 1s 2s 3s 4s 5s 1 3.5184215E+07 1.7313046E-06 -5.6861180E-07 2.3517812E-07 -8.6062908E-08 2.2987122E-08 2 5.3458048E+06 1.6701300E-05 -5.4799404E-06 2.2629079E-06 -8.2954282E-07 2.2189371E-07 3 1.1368857E+06 9.7788850E-05 -3.2136618E-05 1.3297185E-05 -4.8642255E-06 1.2987911E-06 4 2.9293030E+05 4.6168580E-04 -1.5158453E-04 6.2575577E-05 -2.2950864E-05 6.1416698E-06 5 8.6898975E+04 1.8514866E-03 -6.1015745E-04 2.5267689E-04 -9.2386155E-05 2.4656650E-05 6 2.8724884E+04 6.5454249E-03 -2.1616931E-03 8.9259784E-04 -3.2763639E-04 8.7725066E-05 7 1.0352413E+04 2.0661198E-02 -6.9192640E-03 2.8735134E-03 -1.0502247E-03 2.8012350E-04 8 4.0031519E+03 5.8171961E-02 -1.9928935E-02 8.2637239E-03 -3.0388255E-03 8.1439959E-04 9 1.6406116E+03 1.4136335E-01 -5.1599603E-02 2.1707550E-02 -7.9395796E-03 2.1159763E-03 10 7.0565042E+02 2.7512903E-01 -1.1322026E-01 4.8093447E-02 -1.7800490E-02 4.7814059E-03 11 3.1589252E+02 3.6172693E-01 -1.9363876E-01 8.6426407E-02 -3.1789344E-02 8.4551485E-03 12 1.4495730E+02 2.3611547E-01 -1.6133847E-01 7.4610448E-02 -2.8555685E-02 7.7864561E-03 13 6.0853658E+01 3.9042630E-02 2.3594650E-01 -1.3513643E-01 5.4388418E-02 -1.5038464E-02 14 2.9725284E+01 -4.6220913E-03 6.0538713E-01 -5.0716427E-01 2.0517769E-01 -5.4786734E-02 15 1.4489865E+01 2.1624779E-03 3.1373108E-01 -2.7649258E-01 1.2897159E-01 -3.7139145E-02 16 6.0456256E+00 -9.5756717E-04 2.7355373E-02 6.6620929E-01 -4.0033814E-01 1.1785733E-01 17 2.8027764E+00 3.8658505E-04 -1.4664902E-03 6.2817028E-01 -5.8306787E-01 1.7352205E-01 18 8.3435215E-01 -1.3718010E-04 4.9846578E-04 4.3437023E-02 6.6899772E-01 -2.5018123E-01 19 3.7032680E-01 6.6826966E-05 -2.9766347E-04 -8.5651374E-03 6.3491636E-01 -4.0813058E-01 20 6.7383567E-02 -1.7478065E-05 7.6108745E-05 1.9334715E-03 2.9822764E-02 6.0482865E-01 21 2.7333396E-02 7.9009154E-06 -3.7457455E-05 -8.8217827E-04 -6.5056194E-03 5.7388007E-01 2p 3p 4p 5p 1 2.2772024E+04 1.8871177E-04 -7.9855645E-05 2.6536487E-05 -6.5104247E-06 2 3.9885065E+03 2.4123302E-03 -1.0289978E-03 3.4578184E-04 -8.4636484E-05 3 1.0967695E+03 1.6088465E-02 -6.8941723E-03 2.2949553E-03 -5.6317376E-04 4 3.7559973E+02 7.1774719E-02 -3.1671599E-02 1.0704551E-02 -2.6211319E-03 5 1.4642525E+02 2.1794885E-01 -1.0017988E-01 3.3645920E-02 -8.2692442E-03 6 6.1690244E+01 4.0891269E-01 -2.0340074E-01 7.0548793E-02 -1.7285785E-02 7 2.7225180E+01 3.6529469E-01 -1.5289809E-01 4.7775430E-02 -1.1801709E-02 8 1.1814601E+01 9.3732824E-02 2.7526280E-01 -1.1572436E-01 2.9517872E-02 9 5.3078669E+00 -4.1353584E-04 5.8236723E-01 -2.9463295E-01 7.4085408E-02 10 2.4159224E+00 1.2967537E-03 2.7960312E-01 -6.2506569E-02 1.5351591E-02 11 9.1207885E-01 -1.1253981E-03 1.9088574E-02 5.7619040E-01 -1.8273377E-01 12 3.5515707E-01 -2.9161450E-04 -9.3840220E-04 5.3176522E-01 -1.7743845E-01 13 7.8067552E-02 -5.3303280E-04 2.7916314E-04 5.2704035E-02 5.0974895E-01 14 2.7191194E-02 -2.2698639E-04 -7.9400195E-05 -1.1721863E-02 6.1266103E-01 3d 4d 1 5.3671038E+02 1.5771656E-03 -3.0067499E-04 2 1.5734387E+02 1.4066921E-02 -2.7368840E-03 3 5.9444411E+01 6.5724002E-02 -1.2676096E-02 4 2.5144495E+01 1.9354663E-01 -3.8406341E-02 5 1.1237626E+01 3.5312904E-01 -6.6956638E-02 6 5.0620196E+00 3.9562075E-01 -7.3476049E-02 7 2.2275210E+00 2.1612801E-01 2.6015259E-02 8 8.2885207E-01 2.9493083E-02 2.8097597E-01 9 2.8690534E-01 -1.6386327E-03 4.7444999E-01 10 8.9096778E-02 5.9458980E-04 4.6789707E-01 Foldy-Wouthuysen functions -------------------------- 1s 2s 3s 4s 5s 1 3.5184215E+07 6.2549977E-05 -2.0811959E-05 8.6284873E-06 -3.1600757E-06 8.4220487E-07 2 5.3458048E+06 2.0025247E-04 -6.6470883E-05 2.7408562E-05 -1.0049817E-05 2.6952983E-06 3 1.1368857E+06 5.3916791E-04 -1.7975977E-04 7.4700702E-05 -2.7344674E-05 7.2787180E-06 4 2.9293030E+05 1.3768991E-03 -4.5691164E-04 1.8853547E-04 -6.9150076E-05 1.8564164E-05 5 8.6898975E+04 3.5544564E-03 -1.1856494E-03 4.9350684E-04 -1.8053068E-04 4.8038301E-05 6 2.8724884E+04 9.4545857E-03 -3.1528215E-03 1.3031026E-03 -4.7829901E-04 1.2838879E-04 7 1.0352413E+04 2.5330338E-02 -8.5925436E-03 3.5812777E-03 -1.3102159E-03 3.4904222E-04 8 4.0031519E+03 6.4909439E-02 -2.2549423E-02 9.3668525E-03 -3.4433233E-03 9.2354577E-04 9 1.6406116E+03 1.4914163E-01 -5.5333048E-02 2.3328078E-02 -8.5344486E-03 2.2734384E-03 10 7.0565042E+02 2.8028453E-01 -1.1731947E-01 4.9964821E-02 -1.8504596E-02 4.9722947E-03 11 3.1589252E+02 3.6050230E-01 -1.9660375E-01 8.7964133E-02 -3.2362320E-02 8.6065419E-03 12 1.4495730E+02 2.3201627E-01 -1.6065751E-01 7.4368884E-02 -2.8486231E-02 7.7712003E-03 13 6.0853658E+01 3.7884824E-02 2.3840742E-01 -1.3684121E-01 5.5092622E-02 -1.5232777E-02 14 2.9725284E+01 -4.6836331E-03 6.0532460E-01 -5.0836673E-01 2.0572273E-01 -5.4933673E-02 15 1.4489865E+01 2.1391707E-03 3.1290964E-01 -2.7592502E-01 1.2875391E-01 -3.7083044E-02 16 6.0456256E+00 -9.5771520E-04 2.7193050E-02 6.6662677E-01 -4.0074396E-01 1.1798322E-01 17 2.8027764E+00 3.8423673E-04 -1.4482260E-03 6.2790829E-01 -5.8302107E-01 1.7350906E-01 18 8.3435215E-01 -1.3821472E-04 4.7880874E-04 4.3419471E-02 6.6907639E-01 -2.5022251E-01 19 3.7032680E-01 6.6685386E-05 -2.8218591E-04 -8.5788182E-03 6.3487336E-01 -4.0812369E-01 20 6.7383567E-02 -1.7786902E-05 6.5140603E-05 1.9446974E-03 2.9822157E-02 6.0483338E-01 21 2.7333396E-02 8.1561556E-06 -2.9227104E-05 -8.9056603E-04 -6.5072232E-03 5.7387762E-01 2p 3p 4p 5p 1 2.2772024E+04 4.4730898E-04 -1.8875957E-04 6.2657682E-05 -1.5371038E-05 2 3.9885065E+03 3.1289766E-03 -1.3339239E-03 4.4843390E-04 -1.0976226E-04 3 1.0967695E+03 1.7703123E-02 -7.5916442E-03 2.5271184E-03 -6.2015189E-04 4 3.7559973E+02 7.4613882E-02 -3.2963209E-02 1.1143426E-02 -2.7286468E-03 5 1.4642525E+02 2.2139863E-01 -1.0188733E-01 3.4225313E-02 -8.4117915E-03 6 6.1690244E+01 4.1125024E-01 -2.0476909E-01 7.1036104E-02 -1.7405396E-02 7 2.7225180E+01 3.6594652E-01 -1.5309130E-01 4.7815648E-02 -1.1811675E-02 8 1.1814601E+01 9.4349255E-02 2.7561929E-01 -1.1590871E-01 2.9565862E-02 9 5.3078669E+00 2.0651971E-04 5.8236477E-01 -2.9472620E-01 7.4110280E-02 10 2.4159224E+00 1.9377801E-03 2.7945607E-01 -6.2413206E-02 1.5327113E-02 11 9.1207885E-01 -6.1364078E-04 1.9035376E-02 5.7627321E-01 -1.8276224E-01 12 3.5515707E-01 2.1916519E-04 -9.7919838E-04 5.3179286E-01 -1.7744615E-01 13 7.8067552E-02 -6.4430107E-05 2.4109487E-04 5.2741878E-02 5.0974620E-01 14 2.7191194E-02 2.6245294E-05 -9.9489169E-05 -1.1701320E-02 6.1265678E-01 3d 4d 1 5.3671038E+02 1.6943158E-03 -3.2303569E-04 2 1.5734387E+02 1.4388734E-02 -2.7997049E-03 3 5.9444411E+01 6.6332549E-02 -1.2794797E-02 4 2.5144495E+01 1.9424862E-01 -3.8548592E-02 5 1.1237626E+01 3.5363883E-01 -6.7055016E-02 6 5.0620196E+00 3.9582401E-01 -7.3515824E-02 7 2.2275210E+00 2.1619193E-01 2.6031439E-02 8 8.2885207E-01 2.9536674E-02 2.8100367E-01 9 2.8690534E-01 -1.6150241E-03 4.7446164E-01 10 8.9096778E-02 6.0724681E-04 4.6790122E-01 ** Zr 90 ** Large component functions ------------------------- 1s 2s 3s 4s 5s 1 3.6626160E+07 2.4199569E-05 -7.9925908E-06 3.3306883E-06 -1.2529081E-06 3.3768285E-07 2 5.6449165E+06 8.8689364E-05 -2.9361483E-05 1.2233451E-05 -4.6049013E-06 1.2416543E-06 3 1.2099540E+06 2.8773772E-04 -9.5660446E-05 3.9911172E-05 -1.5010046E-05 4.0444899E-06 4 3.1301979E+05 8.9535907E-04 -2.9875808E-04 1.2455251E-04 -4.6918142E-05 1.2656156E-05 5 9.3042678E+04 2.7338420E-03 -9.1800391E-04 3.8374288E-04 -1.4424971E-04 3.8849584E-05 6 3.0778948E+04 8.1286516E-03 -2.7431731E-03 1.1445531E-03 -4.3163699E-04 1.1651076E-04 7 1.1093509E+04 2.3082303E-02 -7.9025316E-03 3.3147958E-03 -1.2453615E-03 3.3518395E-04 8 4.2884170E+03 6.1000342E-02 -2.1366672E-02 8.9519596E-03 -3.3829950E-03 9.1404433E-04 9 1.7566262E+03 1.4304075E-01 -5.3274289E-02 2.2634948E-02 -8.5086127E-03 2.2882861E-03 10 7.5506564E+02 2.7365424E-01 -1.1459751E-01 4.9151952E-02 -1.8698951E-02 5.0632835E-03 11 3.3775032E+02 3.5888874E-01 -1.9434709E-01 8.7526668E-02 -3.3083314E-02 8.8831588E-03 12 1.5486710E+02 2.3681680E-01 -1.6366997E-01 7.6266488E-02 -3.0013877E-02 8.2378841E-03 13 6.5239184E+01 4.0283918E-02 2.2752935E-01 -1.3166936E-01 5.4674927E-02 -1.5223444E-02 14 3.1931975E+01 -4.6563861E-03 6.0304488E-01 -5.0771614E-01 2.1127496E-01 -5.7063917E-02 15 1.5588253E+01 2.2061811E-03 3.2247177E-01 -2.9071249E-01 1.4017766E-01 -4.0508085E-02 16 6.5159447E+00 -9.9070836E-04 2.9170378E-02 6.6115749E-01 -4.1424207E-01 1.2324199E-01 17 3.0502133E+00 4.1146523E-04 -1.7520150E-03 6.3611749E-01 -6.0763732E-01 1.8423720E-01 18 9.3842285E-01 -1.4803970E-04 5.5041985E-04 4.5803052E-02 6.7897779E-01 -2.6384139E-01 19 4.1769263E-01 7.0965300E-05 -3.1396681E-04 -8.4592300E-03 6.4118894E-01 -4.0412890E-01 20 7.7157381E-02 -1.8353621E-05 7.1610028E-05 1.8762355E-03 3.0638992E-02 5.8779066E-01 21 3.0605130E-02 8.2499502E-06 -3.1046561E-05 -8.4427106E-04 -6.2012372E-03 5.9152015E-01 2p 3p 4p 5p 1 2.5314758E+04 4.0839537E-04 -1.7476488E-04 6.0337847E-05 -1.4854180E-05 2 4.3859335E+03 2.9107867E-03 -1.2551133E-03 4.3649691E-04 -1.0722097E-04 3 1.1964644E+03 1.6734934E-02 -7.2571239E-03 2.5046619E-03 -6.1732151E-04 4 4.0767047E+02 7.1620498E-02 -3.1953273E-02 1.1187761E-02 -2.7483451E-03 5 1.5840962E+02 2.1588575E-01 -1.0031861E-01 3.4932166E-02 -8.6266651E-03 6 6.6613322E+01 4.0792303E-01 -2.0493603E-01 7.3649845E-02 -1.8095448E-02 7 2.9371397E+01 3.7109779E-01 -1.5939494E-01 5.1985081E-02 -1.2958258E-02 8 1.2764691E+01 9.8817100E-02 2.6876289E-01 -1.1847837E-01 3.0645633E-02 9 5.7553658E+00 2.7396876E-04 5.8621643E-01 -3.1001520E-01 7.8088940E-02 10 2.6340442E+00 2.0492418E-03 2.8129053E-01 -6.3075248E-02 1.6192365E-02 11 1.0153808E+00 -6.7771672E-04 1.9186355E-02 5.9179326E-01 -1.9443491E-01 12 3.9817791E-01 2.3342862E-04 -7.6538326E-04 5.2133145E-01 -1.6381517E-01 13 8.7234008E-02 -6.7356823E-05 2.0512847E-04 4.9130891E-02 5.2281829E-01 14 2.9558664E-02 2.6785922E-05 -8.1433980E-05 -1.0633274E-02 6.0152393E-01 3d 4d 1 5.7142844E+02 1.6983270E-03 -3.7564055E-04 2 1.6733766E+02 1.4539824E-02 -3.2943336E-03 3 6.3210137E+01 6.7412800E-02 -1.5095259E-02 4 2.6757134E+01 1.9762579E-01 -4.5755725E-02 5 1.1974407E+01 3.5859651E-01 -7.8714030E-02 6 5.4160049E+00 3.9472119E-01 -8.5179078E-02 7 2.4049156E+00 2.0544949E-01 4.3732536E-02 8 9.0804831E-01 2.6087540E-02 3.2908104E-01 9 3.2733338E-01 -1.3526513E-03 4.8490461E-01 10 1.0607011E-01 5.7902563E-04 3.8964701E-01 Pseudo-large component functions -------------------------------- 1s 2s 3s 4s 5s 1 3.6626160E+07 1.7437603E-06 -5.7505324E-07 2.3970821E-07 -9.0112414E-08 2.4276201E-08 2 5.6449165E+06 1.6694998E-05 -5.5007018E-06 2.2892487E-06 -8.6215548E-07 2.3256885E-07 3 1.2099540E+06 9.6986971E-05 -3.2003520E-05 1.3345935E-05 -5.0151384E-06 1.3506892E-06 4 3.1301979E+05 4.5587870E-04 -1.5030632E-04 6.2533546E-05 -2.3563221E-05 6.3585735E-06 5 9.3042678E+04 1.8235043E-03 -6.0337682E-04 2.5182782E-04 -9.4584212E-05 2.5463492E-05 6 3.0778948E+04 6.4380030E-03 -2.1350863E-03 8.8851368E-04 -3.3507179E-04 9.0464584E-05 7 1.1093509E+04 2.0313011E-02 -6.8286694E-03 2.8580902E-03 -1.0730281E-03 2.8872632E-04 8 4.2884170E+03 5.7216985E-02 -1.9673447E-02 8.2214107E-03 -3.1062302E-03 8.3933495E-04 9 1.7566262E+03 1.3931614E-01 -5.0975342E-02 2.1610969E-02 -8.1194073E-03 2.1832862E-03 10 7.5506564E+02 2.7238371E-01 -1.1218926E-01 4.8018511E-02 -1.8262872E-02 4.9452511E-03 11 3.3775032E+02 3.6156386E-01 -1.9285538E-01 8.6708055E-02 -3.2763048E-02 8.7965615E-03 12 1.5486710E+02 2.4004585E-01 -1.6417638E-01 7.6486219E-02 -3.0094969E-02 8.2593750E-03 13 6.5239184E+01 4.0933711E-02 2.2626059E-01 -1.3051629E-01 5.4182867E-02 -1.5087944E-02 14 3.1931975E+01 -4.7379376E-03 6.0369526E-01 -5.0720813E-01 2.1100248E-01 -5.6988109E-02 15 1.5588253E+01 2.2410617E-03 3.2303911E-01 -2.9100570E-01 1.4031673E-01 -4.0545507E-02 16 6.5159447E+00 -1.0049518E-03 2.9292574E-02 6.6098664E-01 -4.1398406E-01 1.2315923E-01 17 3.0502133E+00 4.1711335E-04 -1.7980769E-03 6.3637718E-01 -6.0769279E-01 1.8425305E-01 18 9.3842285E-01 -1.4950307E-04 5.7854145E-04 4.5792778E-02 6.7895453E-01 -2.6381701E-01 19 4.1769263E-01 7.1374391E-05 -3.3342965E-04 -8.4431062E-03 6.4122572E-01 -4.0413529E-01 20 7.7157381E-02 -1.8177497E-05 8.2849853E-05 1.8653131E-03 3.0637947E-02 5.8778939E-01 21 3.0605130E-02 8.0170547E-06 -3.9455796E-05 -8.3579352E-04 -6.1998405E-03 5.9152198E-01 2p 3p 4p 5p 1 2.5314758E+04 1.7619588E-04 -7.5351873E-05 2.5944524E-05 -6.3934951E-06 2 4.3859335E+03 2.2817089E-03 -9.8333575E-04 3.4227819E-04 -8.4045405E-05 3 1.1964644E+03 1.5401317E-02 -6.6683494E-03 2.3000721E-03 -5.6696013E-04 4 4.0767047E+02 6.9433433E-02 -3.0936032E-02 1.0830904E-02 -2.6604737E-03 5 1.5840962E+02 2.1336592E-01 -9.9032778E-02 3.4476036E-02 -8.5140910E-03 6 6.6613322E+01 4.0622989E-01 -2.0393974E-01 7.3286980E-02 -1.8005848E-02 7 2.9371397E+01 3.7042306E-01 -1.5917880E-01 5.1928979E-02 -1.2944839E-02 8 1.2764691E+01 9.8057348E-02 2.6864816E-01 -1.1837451E-01 3.0617812E-02 9 5.7553658E+00 -3.9545771E-04 5.8630763E-01 -3.0997955E-01 7.8078293E-02 10 2.6340442E+00 1.3736457E-03 2.8141948E-01 -6.3150988E-02 1.6213361E-02 11 1.0153808E+00 -1.2115285E-03 1.9235574E-02 5.9173098E-01 -1.9441288E-01 12 3.9817791E-01 -3.1866576E-04 -7.2264367E-04 5.2129824E-01 -1.6380663E-01 13 8.7234008E-02 -5.7179738E-04 2.4568082E-04 4.9086256E-02 5.2282427E-01 14 2.9558664E-02 -2.4949679E-04 -5.9839093E-05 -1.0657092E-02 6.0152866E-01 3d 4d 1 5.7142844E+02 1.5952483E-03 -3.5257742E-04 2 1.6733766E+02 1.4277892E-02 -3.2350694E-03 3 6.3210137E+01 6.6936835E-02 -1.4986266E-02 4 2.6757134E+01 1.9710636E-01 -4.5633318E-02 5 1.1974407E+01 3.5821623E-01 -7.8627110E-02 6 5.4160049E+00 3.9456269E-01 -8.5146260E-02 7 2.4049156E+00 2.0537719E-01 4.3720605E-02 8 9.0804831E-01 2.6037219E-02 3.2905992E-01 9 3.2733338E-01 -1.3780850E-03 4.8489655E-01 10 1.0607011E-01 5.6436135E-04 3.8964320E-01 Foldy-Wouthuysen functions -------------------------- 1s 2s 3s 4s 5s 1 3.6626160E+07 6.6060900E-05 -2.2074124E-05 9.2226900E-06 -3.4697916E-06 9.3310710E-07 2 5.6449165E+06 2.0975991E-04 -6.9943423E-05 2.9071308E-05 -1.0951601E-05 2.9604705E-06 3 1.2099540E+06 5.6030807E-04 -1.8765136E-04 7.8578204E-05 -2.9548030E-05 7.9379261E-06 4 3.1301979E+05 1.4172208E-03 -4.7267133E-04 1.9659899E-04 -7.4085390E-05 2.0044790E-05 5 9.3042678E+04 3.6152340E-03 -1.2119847E-03 5.0840258E-04 -1.9105271E-04 5.1307851E-05 6 3.0778948E+04 9.4982918E-03 -3.1838170E-03 1.3264692E-03 -5.0022396E-04 1.3534042E-04 7 1.1093509E+04 2.5211942E-02 -8.5925374E-03 3.6097506E-03 -1.3566570E-03 3.6470209E-04 8 4.2884170E+03 6.4273221E-02 -2.2428429E-02 9.3907585E-03 -3.5469682E-03 9.5905056E-04 9 1.7566262E+03 1.4749151E-01 -5.4899901E-02 2.3327638E-02 -8.7665243E-03 2.3563617E-03 10 7.5506564E+02 2.7789313E-01 -1.1652390E-01 5.0011904E-02 -1.9034111E-02 5.1557743E-03 11 3.3775032E+02 3.6040035E-01 -1.9602283E-01 8.8359463E-02 -3.3394989E-02 8.9654219E-03 12 1.5486710E+02 2.3571279E-01 -1.6352044E-01 7.6263514E-02 -3.0033383E-02 8.2461594E-03 13 6.5239184E+01 3.9662131E-02 2.2886857E-01 -1.3232304E-01 5.4951162E-02 -1.5301634E-02 14 3.1931975E+01 -4.8026339E-03 6.0368575E-01 -5.0853167E-01 2.1161966E-01 -5.7156623E-02 15 1.5588253E+01 2.2143322E-03 3.2215158E-01 -2.9040969E-01 1.4008534E-01 -4.0485383E-02 16 6.5159447E+00 -1.0043938E-03 2.9112773E-02 6.6145634E-01 -4.1445195E-01 1.2330615E-01 17 3.0502133E+00 4.1417333E-04 -1.7786988E-03 6.3608882E-01 -6.0763706E-01 1.8423758E-01 18 9.3842285E-01 -1.5050630E-04 5.5782980E-04 4.5772166E-02 6.7904440E-01 -2.6386571E-01 19 4.1769263E-01 7.1124444E-05 -3.1735555E-04 -8.4581276E-03 6.4117692E-01 -4.0412674E-01 20 7.7157381E-02 -1.8476845E-05 7.1671913E-05 1.8773419E-03 3.0636832E-02 5.8779459E-01 21 3.0605130E-02 8.2692652E-06 -3.1167773E-05 -8.4471454E-04 -6.2013401E-03 5.9151939E-01 2p 3p 4p 5p 1 2.5314758E+04 4.4006084E-04 -1.8764721E-04 6.4539058E-05 -1.5907875E-05 2 4.3859335E+03 3.0216322E-03 -1.3013783E-03 4.5316655E-04 -1.1125499E-04 3 1.1964644E+03 1.7076016E-02 -7.3990636E-03 2.5521169E-03 -6.2913747E-04 4 4.0767047E+02 7.2404803E-02 -3.2300085E-02 1.1311025E-02 -2.7784014E-03 5 1.5840962E+02 2.1702236E-01 -1.0085848E-01 3.5118353E-02 -8.6729931E-03 6 6.6613322E+01 4.0875352E-01 -2.0542792E-01 7.3836266E-02 -1.8140957E-02 7 2.9371397E+01 3.7113294E-01 -1.5940765E-01 5.1982231E-02 -1.2958384E-02 8 1.2764691E+01 9.8698572E-02 2.6903911E-01 -1.1858584E-01 3.0673628E-02 9 5.7553658E+00 2.6104528E-04 5.8631216E-01 -3.1009020E-01 7.8107770E-02 10 2.6340442E+00 2.0482229E-03 2.8125934E-01 -6.3042528E-02 1.6184739E-02 11 1.0153808E+00 -6.7784093E-04 1.9180113E-02 5.9182258E-01 -1.9444565E-01 12 3.9817791E-01 2.3344903E-04 -7.6632310E-04 5.2132958E-01 -1.6381445E-01 13 8.7234008E-02 -6.7386736E-05 2.0537436E-04 4.9129695E-02 5.2282087E-01 14 2.9558664E-02 2.6789568E-05 -8.1511478E-05 -1.0633241E-02 6.0152381E-01 3d 4d 1 5.7142844E+02 1.7211426E-03 -3.8043498E-04 2 1.6733766E+02 1.4625311E-02 -3.3140798E-03 3 6.3210137E+01 6.7596414E-02 -1.5135768E-02 4 2.6757134E+01 1.9786793E-01 -4.5813639E-02 5 1.1974407E+01 3.5876690E-01 -7.8750358E-02 6 5.4160049E+00 3.9477609E-01 -8.5194450E-02 7 2.4049156E+00 2.0544342E-01 4.3746465E-02 8 9.0804831E-01 2.6084600E-02 3.2909501E-01 9 3.2733338E-01 -1.3528400E-03 4.8490912E-01 10 1.0607011E-01 5.7906637E-04 3.8964746E-01 ** Nb 93 ** Large component functions ------------------------- 1s 2s 3s 4s 5s 1 3.7587860E+07 2.5764051E-05 -8.5441951E-06 3.5867143E-06 -1.3782009E-06 3.4591031E-07 2 5.8779786E+06 9.3332762E-05 -3.1026856E-05 1.3022402E-05 -5.0073538E-06 1.2572134E-06 3 1.2703119E+06 2.9915013E-04 -9.9874068E-05 4.1976060E-05 -1.6125649E-05 4.0465807E-06 4 3.3009948E+05 9.1961862E-04 -3.0820322E-04 1.2944126E-04 -4.9810486E-05 1.2510193E-05 5 9.8352415E+04 2.7784393E-03 -9.3725129E-04 3.9469587E-04 -1.5155051E-04 3.8016314E-05 6 3.2571358E+04 8.1941201E-03 -2.7785483E-03 1.1679676E-03 -4.4998772E-04 1.1307649E-04 7 1.1743919E+04 2.3135887E-02 -7.9593360E-03 3.3636061E-03 -1.2907660E-03 3.2362789E-04 8 4.5396422E+03 6.0921522E-02 -2.1442111E-02 9.0509561E-03 -3.4946769E-03 8.7886517E-04 9 1.8590313E+03 1.4259843E-01 -5.3344224E-02 2.2835319E-02 -8.7674481E-03 2.1970541E-03 10 7.9878191E+02 2.7279312E-01 -1.1465292E-01 4.9546051E-02 -1.9262665E-02 4.8534327E-03 11 3.5716156E+02 3.5848399E-01 -1.9443665E-01 8.8232643E-02 -3.4062053E-02 8.5280167E-03 12 1.6373020E+02 2.3768324E-01 -1.6406642E-01 7.7004583E-02 -3.1010525E-02 7.9023697E-03 13 6.9058768E+01 4.0819095E-02 2.2682801E-01 -1.3274184E-01 5.6548808E-02 -1.4599156E-02 14 3.3822313E+01 -4.7099000E-03 6.0278628E-01 -5.1228714E-01 2.1803388E-01 -5.5051787E-02 15 1.6529300E+01 2.2432758E-03 3.2318220E-01 -2.9315771E-01 1.4608837E-01 -3.9079652E-02 16 6.9436765E+00 -1.0168224E-03 2.9392883E-02 6.6630996E-01 -4.3491347E-01 1.2038548E-01 17 3.2773038E+00 4.2442963E-04 -1.8143575E-03 6.3468032E-01 -6.1988369E-01 1.7656847E-01 18 1.0247550E+00 -1.4546589E-04 5.1165221E-04 4.4885229E-02 7.2923181E-01 -2.7105489E-01 19 4.4306232E-01 6.5373258E-05 -2.8190247E-04 -7.4225171E-03 6.1453400E-01 -3.5422620E-01 20 7.3371801E-02 -1.6419309E-05 6.1457841E-05 1.6492265E-03 2.1412357E-02 6.2905746E-01 21 2.9490361E-02 7.7519099E-06 -2.8759703E-05 -7.6485276E-04 -6.0551753E-03 5.3145297E-01 2p 3p 4p 5p 1 2.7332980E+04 4.1348521E-04 -1.7867590E-04 6.3351139E-05 -1.5929938E-05 2 4.6973015E+03 2.9074919E-03 -1.2661463E-03 4.5201845E-04 -1.1329739E-04 3 1.2733419E+03 1.6696847E-02 -7.3125445E-03 2.5922717E-03 -6.5291216E-04 4 4.3206980E+02 7.1649253E-02 -3.2290179E-02 1.1607343E-02 -2.9089739E-03 5 1.6741973E+02 2.1657304E-01 -1.0167613E-01 3.6382996E-02 -9.1864644E-03 6 7.0272419E+01 4.0947292E-01 -2.0798067E-01 7.6771690E-02 -1.9229006E-02 7 3.0946220E+01 3.7035170E-01 -1.5916407E-01 5.3205394E-02 -1.3645160E-02 8 1.3444857E+01 9.7217702E-02 2.7791274E-01 -1.2717862E-01 3.3989099E-02 9 6.0742299E+00 1.3327904E-04 5.9089737E-01 -3.2487941E-01 8.3155731E-02 10 2.7886573E+00 1.9983516E-03 2.6874789E-01 -4.7855209E-02 1.3413186E-02 11 1.1065154E+00 -6.9073763E-04 1.6922209E-02 6.0458352E-01 -2.1029578E-01 12 4.3670213E-01 2.2403773E-04 -1.7299686E-04 5.0753491E-01 -1.4734566E-01 13 9.4987538E-02 -6.3866345E-05 1.0084056E-04 4.6615795E-02 5.4802395E-01 14 3.1481091E-02 2.4813779E-05 -3.4995534E-05 -9.9861985E-03 5.7727268E-01 3d 4d 1 5.5443596E+02 2.0734100E-03 -4.9939618E-04 2 1.6239201E+02 1.7495152E-02 -4.2975635E-03 3 6.1185232E+01 7.9387156E-02 -1.9385894E-02 4 2.5827794E+01 2.2406894E-01 -5.6292480E-02 5 1.1479528E+01 3.8394477E-01 -9.1196425E-02 6 5.1634512E+00 3.8120990E-01 -8.3875281E-02 7 2.2835489E+00 1.5893207E-01 9.4403486E-02 8 8.7554031E-01 1.3948187E-02 3.9200340E-01 9 3.1159362E-01 -1.1925447E-04 4.8857304E-01 10 9.8166000E-02 2.3897898E-04 2.9420391E-01 Pseudo-large component functions -------------------------------- 1s 2s 3s 4s 5s 1 3.7587860E+07 1.7844595E-06 -5.9087416E-07 2.4811500E-07 -9.5271530E-08 2.3903338E-08 2 5.8779786E+06 1.6951324E-05 -5.6079534E-06 2.3509913E-06 -9.0449731E-07 2.2717145E-07 3 1.2703119E+06 9.7655455E-05 -3.2355631E-05 1.3591981E-05 -5.2169794E-06 1.3086394E-06 4 3.3009948E+05 4.5674808E-04 -1.5121107E-04 6.3371367E-05 -2.4394378E-05 6.1285851E-06 5 9.8352415E+04 1.8212575E-03 -6.0510100E-04 2.5440548E-04 -9.7596114E-05 2.4473714E-05 6 3.2571358E+04 6.4181203E-03 -2.1372572E-03 8.9594831E-04 -3.4518228E-04 8.6753957E-05 7 1.1743919E+04 2.0227504E-02 -6.8274050E-03 2.8786192E-03 -1.1038165E-03 2.7669161E-04 8 4.5396422E+03 5.6945850E-02 -1.9657306E-02 8.2751198E-03 -3.1943778E-03 8.0338461E-04 9 1.8590313E+03 1.3867556E-01 -5.0919472E-02 2.1747095E-02 -8.3448395E-03 2.0908605E-03 10 7.9878191E+02 2.7143595E-01 -1.1210922E-01 4.8339655E-02 -1.8788265E-02 4.7338734E-03 11 3.5716156E+02 3.6127995E-01 -1.9285673E-01 8.7358980E-02 -3.3712643E-02 8.4399639E-03 12 1.6373020E+02 2.4109391E-01 -1.6459863E-01 7.7237240E-02 -3.1098118E-02 7.9240507E-03 13 6.9058768E+01 4.1513954E-02 2.2548327E-01 -1.3150801E-01 5.6009199E-02 -1.4460771E-02 14 3.3822313E+01 -4.7969104E-03 6.0347261E-01 -5.1174141E-01 2.1773331E-01 -5.4973615E-02 15 1.6529300E+01 2.2808494E-03 3.2378388E-01 -2.9347482E-01 1.4624210E-01 -3.9118343E-02 16 6.9436765E+00 -1.0323508E-03 2.9524401E-02 6.6612276E-01 -4.3462031E-01 1.2029754E-01 17 3.2773038E+00 4.3064018E-04 -1.8640568E-03 6.3496397E-01 -6.1995203E-01 1.7658708E-01 18 1.0247550E+00 -1.4703029E-04 5.4052412E-04 4.4874628E-02 7.2921022E-01 -2.7103034E-01 19 4.4306232E-01 6.5785214E-05 -3.0096332E-04 -7.4062228E-03 6.1457316E-01 -3.5423288E-01 20 7.3371801E-02 -1.6243774E-05 7.2542796E-05 1.6381754E-03 2.1410789E-02 6.2905629E-01 21 2.9490361E-02 7.5186889E-06 -3.7361295E-05 -7.5598451E-04 -6.0534616E-03 5.3145475E-01 2p 3p 4p 5p 1 2.7332980E+04 1.7204654E-04 -7.4300025E-05 2.6274364E-05 -6.6167513E-06 2 4.6973015E+03 2.2474738E-03 -9.7822660E-04 3.4953234E-04 -8.7559011E-05 3 1.2733419E+03 1.5291889E-02 -6.6861914E-03 2.3687614E-03 -5.9672626E-04 4 4.3206980E+02 6.9336326E-02 -3.1203626E-02 1.1215841E-02 -2.8105429E-03 5 1.6741973E+02 2.1390351E-01 -1.0029923E-01 3.5880984E-02 -9.0598859E-03 6 7.0272419E+01 4.0768379E-01 -2.0691576E-01 7.6372978E-02 -1.9128485E-02 7 3.0946220E+01 3.6964218E-01 -1.5894165E-01 5.3147986E-02 -1.3631165E-02 8 1.3444857E+01 9.6414598E-02 2.7778515E-01 -1.2705877E-01 3.3955984E-02 9 6.0742299E+00 -5.7291080E-04 5.9099907E-01 -3.2484098E-01 8.3143985E-02 10 2.7886573E+00 1.2937198E-03 2.6888361E-01 -4.7942302E-02 1.3438185E-02 11 1.1065154E+00 -1.2369843E-03 1.6971226E-02 6.0451890E-01 -2.1027154E-01 12 4.3670213E-01 -3.7246372E-04 -1.2707987E-04 5.0749638E-01 -1.4733631E-01 13 9.4987538E-02 -6.0280472E-04 1.4336177E-04 4.6565892E-02 5.4803092E-01 14 3.1481091E-02 -2.7316063E-04 -1.1938532E-05 -1.0013356E-02 5.7727814E-01 3d 4d 1 5.5443596E+02 1.9503890E-03 -4.6948461E-04 2 1.6239201E+02 1.7188750E-02 -4.2221914E-03 3 6.1185232E+01 7.8846874E-02 -1.9250889E-02 4 2.5827794E+01 2.2351007E-01 -5.6149051E-02 5 1.1479528E+01 3.8356113E-01 -9.1101341E-02 6 5.1634512E+00 3.8106786E-01 -8.3848328E-02 7 2.2835489E+00 1.5885953E-01 9.4382724E-02 8 8.7554031E-01 1.3897764E-02 3.9198079E-01 9 3.1159362E-01 -1.4569071E-04 4.8856536E-01 10 9.8166000E-02 2.2495465E-04 2.9420037E-01 Foldy-Wouthuysen functions -------------------------- 1s 2s 3s 4s 5s 1 3.7587860E+07 7.0322511E-05 -2.3597696E-05 9.9312016E-06 -3.8160684E-06 9.5622697E-07 2 5.8779786E+06 2.2147471E-04 -7.4179623E-05 3.1062569E-05 -1.1955950E-05 3.0072417E-06 3 1.2703119E+06 5.8709804E-04 -1.9749941E-04 8.3300614E-05 -3.1990111E-05 8.0100580E-06 4 3.3009948E+05 1.4720557E-03 -4.9338010E-04 2.0674576E-04 -7.9606078E-05 2.0037272E-05 5 9.8352415E+04 3.7151675E-03 -1.2517155E-03 5.2892479E-04 -2.0299786E-04 5.0813725E-05 6 3.2571358E+04 9.6514810E-03 -3.2518557E-03 1.3650011E-03 -5.2594367E-04 1.3239374E-04 7 1.1743919E+04 2.5388466E-02 -8.6954897E-03 3.6803869E-03 -1.4127451E-03 3.5393392E-04 8 4.5396422E+03 6.4355938E-02 -2.2565393E-02 9.5192246E-03 -3.6738387E-03 9.2437684E-04 9 1.8590313E+03 1.4725702E-01 -5.5054207E-02 2.3569234E-02 -9.0458450E-03 2.2658551E-03 10 7.9878191E+02 2.7724729E-01 -1.1668215E-01 5.0458746E-02 -1.9627174E-02 4.9466304E-03 11 3.5716156E+02 3.6010141E-01 -1.9620590E-01 8.9118497E-02 -3.4399759E-02 8.6115456E-03 12 1.6373020E+02 2.3653690E-01 -1.6391873E-01 7.7006253E-02 -3.1034854E-02 7.9110639E-03 13 6.9058768E+01 4.0158106E-02 2.2824308E-01 -1.3343928E-01 5.6851034E-02 -1.4678278E-02 14 3.3822313E+01 -4.8643483E-03 6.0346773E-01 -5.1316005E-01 2.1841132E-01 -5.5147041E-02 15 1.6529300E+01 2.2515280E-03 3.2284377E-01 -2.9283417E-01 1.4598993E-01 -3.9056819E-02 16 6.9436765E+00 -1.0313145E-03 2.9331211E-02 6.6663283E-01 -4.3515148E-01 1.2045307E-01 17 3.2773038E+00 4.2724519E-04 -1.8430342E-03 6.3464878E-01 -6.1987951E-01 1.7656814E-01 18 1.0247550E+00 -1.4802426E-04 5.1944344E-04 4.4851343E-02 7.2930625E-01 -2.7108092E-01 19 4.4306232E-01 6.5479874E-05 -2.8535142E-04 -7.4209566E-03 6.1451968E-01 -3.5422295E-01 20 7.3371801E-02 -1.6523347E-05 6.1529933E-05 1.6500983E-03 2.1410713E-02 6.2906099E-01 21 2.9490361E-02 7.7642059E-06 -2.8881543E-05 -7.6521681E-04 -6.0554993E-03 5.3145225E-01 2p 3p 4p 5p 1 2.7332980E+04 4.4674634E-04 -1.9234182E-04 6.7936907E-05 -1.7119508E-05 2 4.6973015E+03 3.0251036E-03 -1.3158139E-03 4.7036216E-04 -1.1778086E-04 3 1.2733419E+03 1.7056128E-02 -7.4635407E-03 2.6441556E-03 -6.6621645E-04 4 4.3206980E+02 7.2477132E-02 -3.2660118E-02 1.1742292E-02 -2.9423654E-03 5 1.6741973E+02 2.1777637E-01 -1.0225361E-01 3.6587753E-02 -9.2388147E-03 6 7.0272419E+01 4.1035237E-01 -2.0850818E-01 7.6977150E-02 -1.9279848E-02 7 3.0946220E+01 3.7038528E-01 -1.5917282E-01 5.3200650E-02 -1.3645337E-02 8 1.3444857E+01 9.7093115E-02 2.7821036E-01 -1.2729927E-01 3.4021751E-02 9 6.0742299E+00 1.1960400E-04 5.9099771E-01 -3.2496192E-01 8.3176517E-02 10 2.7886573E+00 1.9974137E-03 2.6871248E-01 -4.7815601E-02 1.3403960E-02 11 1.1065154E+00 -6.9093032E-04 1.6916074E-02 6.0461500E-01 -2.1030830E-01 12 4.3670213E-01 2.2406697E-04 -1.7404956E-04 5.0753255E-01 -1.4734421E-01 13 9.4987538E-02 -6.3897401E-05 1.0109045E-04 4.6614534E-02 5.4802670E-01 14 3.1481091E-02 2.4818154E-05 -3.5073832E-05 -9.9861685E-03 5.7727252E-01 3d 4d 1 5.5443596E+02 2.1013318E-03 -5.0583209E-04 2 1.6239201E+02 1.7597293E-02 -4.3230580E-03 3 6.1185232E+01 7.9599179E-02 -1.9437122E-02 4 2.5827794E+01 2.2433293E-01 -5.6360932E-02 5 1.1479528E+01 3.8411404E-01 -9.1235858E-02 6 5.1634512E+00 3.8125286E-01 -8.3887605E-02 7 2.2835489E+00 1.5892229E-01 9.4423511E-02 8 8.7554031E-01 1.3946380E-02 3.9201789E-01 9 3.1159362E-01 -1.1951198E-04 4.8857680E-01 10 9.8166000E-02 2.3904458E-04 2.9420394E-01 ** Mo 98 ** Large component functions ------------------------- 1s 2s 3s 4s 5s 1 3.8305838E+07 2.7467660E-05 -9.1461587E-06 3.8662244E-06 -1.5141507E-06 3.8085682E-07 2 6.0927516E+06 9.8297016E-05 -3.2811620E-05 1.3867809E-05 -5.4350536E-06 1.3674436E-06 3 1.3298563E+06 3.1111214E-04 -1.0430074E-04 4.4143389E-05 -1.7284113E-05 4.3469502E-06 4 3.4753651E+05 9.4433680E-04 -3.1786879E-04 1.3444091E-04 -5.2731330E-05 1.3270372E-05 5 1.0388921E+05 2.8214484E-03 -9.5605282E-04 4.0545195E-04 -1.5867074E-04 3.9895409E-05 6 3.4467171E+04 8.2478377E-03 -2.8101194E-03 1.1896395E-03 -4.6719327E-04 1.1762156E-04 7 1.2438872E+04 2.3141464E-02 -7.9991486E-03 3.4044463E-03 -1.3314987E-03 3.3466986E-04 8 4.8101077E+03 6.0690544E-02 -2.1462394E-02 9.1242561E-03 -3.5913306E-03 9.0473319E-04 9 1.9699168E+03 1.4178972E-01 -5.3259174E-02 2.2961010E-02 -8.9845814E-03 2.2575651E-03 10 8.4632279E+02 2.7136820E-01 -1.1440954E-01 4.9792435E-02 -1.9737583E-02 4.9803050E-03 11 3.7832845E+02 3.5795949E-01 -1.9418817E-01 8.8734933E-02 -3.4912031E-02 8.7701996E-03 12 1.7340700E+02 2.3934266E-01 -1.6514097E-01 7.8036549E-02 -3.2069510E-02 8.1670958E-03 13 7.3323013E+01 4.1814012E-02 2.2279897E-01 -1.3159978E-01 5.7366242E-02 -1.4786249E-02 14 3.5952607E+01 -4.7605489E-03 6.0171548E-01 -5.1454595E-01 2.2344283E-01 -5.6748208E-02 15 1.7594175E+01 2.2879079E-03 3.2722917E-01 -3.0041466E-01 1.5380103E-01 -4.0979854E-02 16 7.4177641E+00 -1.0494216E-03 3.0355311E-02 6.6669196E-01 -4.5055802E-01 1.2492231E-01 17 3.5295204E+00 4.4572150E-04 -2.0036079E-03 6.3716161E-01 -6.3414516E-01 1.8271109E-01 18 1.1303376E+00 -1.5221798E-04 5.4009344E-04 4.5983070E-02 7.4249538E-01 -2.8289077E-01 19 4.8701544E-01 6.6543513E-05 -2.9022095E-04 -7.0536134E-03 6.1510123E-01 -3.4550335E-01 20 7.9627037E-02 -1.6188887E-05 6.1221168E-05 1.5388319E-03 2.1083231E-02 6.3968718E-01 21 3.1352516E-02 7.5580382E-06 -2.8135865E-05 -7.0965177E-04 -5.5619603E-03 5.1969774E-01 2p 3p 4p 5p 1 3.0221224E+04 4.0746439E-04 -1.7770307E-04 6.4569652E-05 -1.5910870E-05 2 5.1415197E+03 2.8137582E-03 -1.2365261E-03 4.5228057E-04 -1.1106342E-04 3 1.3826922E+03 1.6145020E-02 -7.1362415E-03 2.5926865E-03 -6.4005324E-04 4 4.6675574E+02 6.9686307E-02 -3.1678196E-02 1.1667659E-02 -2.8645884E-03 5 1.8024805E+02 2.1265718E-01 -1.0070166E-01 3.6940072E-02 -9.1436666E-03 6 7.5501558E+01 4.0720479E-01 -2.0853890E-01 7.8886528E-02 -1.9355178E-02 7 3.3211488E+01 3.7497892E-01 -1.6476060E-01 5.6798419E-02 -1.4297892E-02 8 1.4436014E+01 1.0104642E-01 2.7281459E-01 -1.2924093E-01 3.4038639E-02 9 6.5384736E+00 1.1216674E-04 5.9512733E-01 -3.3773787E-01 8.4745233E-02 10 3.0109346E+00 2.1099108E-03 2.6926417E-01 -4.5029417E-02 1.2462426E-02 11 1.2105920E+00 -7.5581514E-04 1.6763546E-02 6.1653963E-01 -2.1297362E-01 12 4.7858760E-01 2.3689331E-04 2.7485328E-05 4.9866372E-01 -1.3479677E-01 13 1.0263622E-01 -6.6435710E-05 7.5062082E-05 4.3532857E-02 5.4765730E-01 14 3.3341245E-02 2.5502315E-05 -2.3574957E-05 -9.3657013E-03 5.7733045E-01 3d 4d 1 5.8695964E+02 2.1095320E-03 -5.4933376E-04 2 1.7172760E+02 1.7814385E-02 -4.7077587E-03 3 6.4681698E+01 8.0991995E-02 -2.1397765E-02 4 2.7310291E+01 2.2841469E-01 -6.1746594E-02 5 1.2140695E+01 3.8957018E-01 -1.0037249E-01 6 5.4693800E+00 3.7860678E-01 -8.5866147E-02 7 2.4236261E+00 1.4785894E-01 1.1327623E-01 8 9.6142078E-01 1.1578264E-02 4.0928378E-01 9 3.5115770E-01 4.0533652E-04 4.7671998E-01 10 1.1311939E-01 1.4052314E-04 2.6474154E-01 Pseudo-large component functions -------------------------------- 1s 2s 3s 4s 5s 1 3.8305838E+07 1.8337578E-06 -6.0964214E-07 2.5778554E-07 -1.0088228E-07 2.5368093E-08 2 6.0927516E+06 1.7260741E-05 -5.7334667E-06 2.4203672E-06 -9.4914203E-07 2.3886092E-07 3 1.3298563E+06 9.8445139E-05 -3.2748546E-05 1.3853118E-05 -5.4191011E-06 1.3624846E-06 4 3.4753651E+05 4.5758366E-04 -1.5210640E-04 6.4191521E-05 -2.5186993E-05 6.3399008E-06 5 1.0388921E+05 1.8170604E-03 -6.0613874E-04 2.5662180E-04 -1.0033098E-04 2.5219811E-05 6 3.4467171E+04 6.3865803E-03 -2.1354716E-03 9.0145849E-04 -3.5401835E-04 8.9137648E-05 7 1.2438872E+04 2.0094471E-02 -6.8092028E-03 2.8910058E-03 -1.1297640E-03 2.8390768E-04 8 4.8101077E+03 5.6521828E-02 -1.9586070E-02 8.3028584E-03 -3.2672277E-03 8.2310001E-04 9 1.9699168E+03 1.3766197E-01 -5.0707882E-02 2.1807873E-02 -8.5280605E-03 2.1425784E-03 10 8.4632279E+02 2.6990793E-01 -1.1172626E-01 4.8510888E-02 -1.9223696E-02 4.8505276E-03 11 3.7832845E+02 3.6086457E-01 -1.9251196E-01 8.7802197E-02 -3.4531578E-02 8.6740410E-03 12 1.7340700E+02 2.4294858E-01 -1.6569024E-01 7.8276489E-02 -3.2161304E-02 8.1899168E-03 13 7.3323013E+01 4.2564046E-02 2.2137335E-01 -1.3028676E-01 5.6779612E-02 -1.4635468E-02 14 3.5952607E+01 -4.8532022E-03 6.0242579E-01 -5.1395162E-01 2.2310859E-01 -5.6660766E-02 15 1.7594175E+01 2.3284104E-03 3.2787424E-01 -3.0075492E-01 1.5396862E-01 -4.1022310E-02 16 7.4177641E+00 -1.0664088E-03 3.0497601E-02 6.6648339E-01 -4.5022654E-01 1.2482233E-01 17 3.5295204E+00 4.5265407E-04 -2.0573861E-03 6.3747195E-01 -6.3422613E-01 1.8273336E-01 18 1.1303376E+00 -1.5399623E-04 5.7082951E-04 4.5971493E-02 7.4247352E-01 -2.8286354E-01 19 4.8701544E-01 6.7015629E-05 -3.1002106E-04 -7.0359609E-03 6.1514381E-01 -3.4551080E-01 20 7.9627037E-02 -1.6020730E-05 7.2427408E-05 1.5272401E-03 2.1081925E-02 6.3968592E-01 21 3.1352516E-02 7.3257193E-06 -3.6813278E-05 -7.0037247E-04 -5.5604162E-03 5.1969965E-01 2p 3p 4p 5p 1 3.0221224E+04 1.6145379E-04 -7.0379367E-05 2.5505274E-05 -6.2956726E-06 2 5.1415197E+03 2.1336558E-03 -9.3719395E-04 3.4310534E-04 -8.4196964E-05 3 1.3826922E+03 1.4687273E-02 -6.4807458E-03 2.3529934E-03 -5.8100757E-04 4 4.6675574E+02 6.7265489E-02 -3.0531934E-02 1.1244407E-02 -2.7603108E-03 5 1.8024805E+02 2.0983243E-01 -9.9233768E-02 3.6391408E-02 -9.0080714E-03 6 7.5501558E+01 4.0528575E-01 -2.0738764E-01 7.8444443E-02 -1.9245939E-02 7 3.3211488E+01 3.7422223E-01 -1.6451198E-01 5.6731055E-02 -1.4281755E-02 8 1.4436014E+01 1.0020562E-01 2.7267137E-01 -1.2910430E-01 3.4001488E-02 9 6.5384736E+00 -6.3437701E-04 5.9523432E-01 -3.3769266E-01 8.4731733E-02 10 3.0109346E+00 1.3677266E-03 2.6941011E-01 -4.5127879E-02 1.2490396E-02 11 1.2105920E+00 -1.3267692E-03 1.6814086E-02 6.1647055E-01 -2.1294775E-01 12 4.7858760E-01 -4.0436466E-04 7.6293595E-05 4.9862010E-01 -1.3478674E-01 13 1.0263622E-01 -6.4601738E-04 1.2002626E-04 4.3476768E-02 5.4766507E-01 14 3.3341245E-02 -2.9083372E-04 5.8620008E-07 -9.3958886E-03 5.7733633E-01 3d 4d 1 5.8695964E+02 1.9777155E-03 -5.1476267E-04 2 1.7172760E+02 1.7484522E-02 -4.6202488E-03 3 6.4681698E+01 8.0409202E-02 -2.1240365E-02 4 2.7310291E+01 2.2781219E-01 -6.1579596E-02 5 1.2140695E+01 3.8916022E-01 -1.0026247E-01 6 5.4693800E+00 3.7845938E-01 -8.5838959E-02 7 2.4236261E+00 1.4778243E-01 1.1324971E-01 8 9.6142078E-01 1.1525290E-02 4.0925863E-01 9 3.5115770E-01 3.7586425E-04 4.7671156E-01 10 1.1311939E-01 1.2500098E-04 2.6473758E-01 Foldy-Wouthuysen functions -------------------------- 1s 2s 3s 4s 5s 1 3.8305838E+07 7.4938692E-05 -2.5252264E-05 1.0701064E-05 -4.1904207E-06 1.0528083E-06 2 6.0927516E+06 2.3389330E-04 -7.8685324E-05 3.3184637E-05 -1.3020816E-05 3.2799849E-06 3 1.3298563E+06 6.1490074E-04 -2.0775893E-04 8.8228087E-05 -3.4527647E-05 8.6703530E-06 4 3.4753651E+05 1.5277622E-03 -5.1453796E-04 2.1715153E-04 -8.5240975E-05 2.1484332E-05 5 1.0388921E+05 3.8139068E-03 -1.2912947E-03 5.4943828E-04 -2.1488998E-04 5.3948468E-05 6 3.4467171E+04 9.7935427E-03 -3.3166576E-03 1.4022023E-03 -5.5078635E-04 1.3883965E-04 7 1.2438872E+04 2.5517590E-02 -8.7821798E-03 3.7434891E-03 -1.4644132E-03 3.6791850E-04 8 4.8101077E+03 6.4285705E-02 -2.2647714E-02 9.6225234E-03 -3.7860627E-03 9.5406184E-04 9 1.9699168E+03 1.4665548E-01 -5.5053234E-02 2.3736337E-02 -9.2836925E-03 2.3319771E-03 10 8.4632279E+02 2.7604528E-01 -1.1654352E-01 5.0759060E-02 -2.0132002E-02 5.0809356E-03 11 3.7832845E+02 3.5970123E-01 -1.9605490E-01 8.9675112E-02 -3.5276598E-02 8.8610638E-03 12 1.7340700E+02 2.3815964E-01 -1.6500666E-01 7.8049007E-02 -3.2101114E-02 8.1774142E-03 13 7.3323013E+01 4.1106919E-02 2.2428755E-01 -1.3233803E-01 5.7693181E-02 -1.4871514E-02 14 3.5952607E+01 -4.9239874E-03 6.0244946E-01 -5.1548298E-01 2.2385663E-01 -5.6853618E-02 15 1.7594175E+01 2.2959042E-03 3.2687294E-01 -3.0007547E-01 1.5369824E-01 -4.0955687E-02 16 7.4177641E+00 -1.0647204E-03 3.0288048E-02 6.6704316E-01 -4.5082541E-01 1.2499827E-01 17 3.5295204E+00 4.4866928E-04 -2.0348044E-03 6.3712795E-01 -6.3413898E-01 1.8271062E-01 18 1.1303376E+00 -1.5495162E-04 5.4863327E-04 4.5945483E-02 7.4257870E-01 -2.8292055E-01 19 4.8701544E-01 6.6615925E-05 -2.9393389E-04 -7.0518086E-03 6.1508530E-01 -3.4549926E-01 20 7.9627037E-02 -1.6285400E-05 6.1291225E-05 1.5396871E-03 2.1081438E-02 6.3969092E-01 21 3.1352516E-02 7.5633244E-06 -2.8254007E-05 -7.1002456E-04 -5.5622901E-03 5.1969698E-01 2p 3p 4p 5p 1 3.0221224E+04 4.4151513E-04 -1.9184266E-04 6.9438306E-05 -1.7153218E-05 2 5.1415197E+03 2.9355363E-03 -1.2884578E-03 4.7191569E-04 -1.1574954E-04 3 1.3826922E+03 1.6515350E-02 -7.2933945E-03 2.6480383E-03 -6.5400280E-04 4 4.6675574E+02 7.0545986E-02 -3.2065438E-02 1.1812374E-02 -2.8995986E-03 5 1.8024805E+02 2.1392478E-01 -1.0131475E-01 3.7162942E-02 -9.1996200E-03 6 7.5501558E+01 4.0815163E-01 -2.0910910E-01 7.9114012E-02 -1.9410234E-02 7 3.3211488E+01 3.7502775E-01 -1.6478071E-01 5.6797793E-02 -1.4299379E-02 8 1.4436014E+01 1.0091122E-01 2.7313476E-01 -1.2937485E-01 3.4074373E-02 9 6.5384736E+00 9.7149192E-05 5.9523881E-01 -3.3783151E-01 8.4768310E-02 10 3.0109346E+00 2.1087225E-03 2.6922490E-01 -4.4983517E-02 1.2451896E-02 11 1.2105920E+00 -7.5595286E-04 1.6756925E-02 6.1657429E-01 -2.1298739E-01 12 4.7858760E-01 2.3688992E-04 2.6338177E-05 4.9866078E-01 -1.3479486E-01 13 1.0263622E-01 -6.6459586E-05 7.5320965E-05 4.3531540E-02 5.4766016E-01 14 3.3341245E-02 2.5503807E-05 -2.3655555E-05 -9.3656794E-03 5.7733031E-01 3d 4d 1 5.8695964E+02 2.1394896E-03 -5.5686811E-04 2 1.7172760E+02 1.7924102E-02 -4.7370728E-03 3 6.4681698E+01 8.1220774E-02 -2.1457825E-02 4 2.7310291E+01 2.2869951E-01 -6.1825786E-02 5 1.2140695E+01 3.8975175E-01 -1.0041916E-01 6 5.4693800E+00 3.7865021E-01 -8.5877934E-02 7 2.4236261E+00 1.4784741E-01 1.1330047E-01 8 9.6142078E-01 1.1576529E-02 4.0930006E-01 9 3.5115770E-01 4.0504186E-04 4.7672383E-01 10 1.1311939E-01 1.4059569E-04 2.6474147E-01 ** Tc 98 ** Large component functions ------------------------- 1s 2s 3s 4s 5s 1 3.9824383E+07 2.8883320E-05 -9.6559987E-06 4.1087856E-06 -1.6371118E-06 4.2994574E-07 2 6.4212339E+06 1.0218894E-04 -3.4249027E-05 1.4571370E-05 -5.8101370E-06 1.5264942E-06 3 1.4126319E+06 3.1952837E-04 -1.0755717E-04 4.5823654E-05 -1.8253928E-05 4.7929499E-06 4 3.7074873E+05 9.5784174E-04 -3.2379736E-04 1.3786338E-04 -5.5015088E-05 1.4459414E-05 5 1.1107658E+05 2.8302156E-03 -9.6319982E-04 4.1121190E-04 -1.6372330E-04 4.2971235E-05 6 3.6887358E+04 8.2015646E-03 -2.8074533E-03 1.1965292E-03 -4.7809629E-04 1.2573259E-04 7 1.3315239E+04 2.2875502E-02 -7.9424311E-03 3.4030128E-03 -1.3540675E-03 3.5518749E-04 8 5.1478969E+03 5.9797653E-02 -2.1239298E-02 9.0902266E-03 -3.6405276E-03 9.5828223E-04 9 2.1072753E+03 1.3967186E-01 -5.2619373E-02 2.2834999E-02 -9.0903682E-03 2.3829787E-03 10 9.0476048E+02 2.6829020E-01 -1.1324974E-01 4.9605967E-02 -2.0009152E-02 5.2781461E-03 11 4.0412275E+02 3.5748863E-01 -1.9315632E-01 8.8789844E-02 -3.5540412E-02 9.3062013E-03 12 1.8507797E+02 2.4365586E-01 -1.6835369E-01 8.0036154E-02 -3.3469631E-02 8.9403996E-03 13 7.8607973E+01 4.4144345E-02 2.1053804E-01 -1.2495563E-01 5.5639620E-02 -1.5110177E-02 14 3.8617451E+01 -4.8284936E-03 5.9906792E-01 -5.1200832E-01 2.2627963E-01 -5.9758387E-02 15 1.8919057E+01 2.3583092E-03 3.3914986E-01 -3.1848147E-01 1.6610697E-01 -4.6742605E-02 16 7.9746011E+00 -1.0963351E-03 3.2996288E-02 6.5732864E-01 -4.5627472E-01 1.3374957E-01 17 3.8247634E+00 4.8178938E-04 -2.4801976E-03 6.4805959E-01 -6.5516544E-01 1.9590200E-01 18 1.2645693E+00 -1.7218014E-04 6.8931950E-04 5.0018000E-02 7.1170784E-01 -2.8099117E-01 19 5.5772360E-01 7.6449977E-05 -3.6156929E-04 -7.4331440E-03 6.4973692E-01 -3.7886775E-01 20 1.0097051E-01 -1.8364481E-05 7.6443956E-05 1.5950957E-03 2.9590198E-02 5.5332913E-01 21 3.8104793E-02 7.9971200E-06 -3.1668294E-05 -7.0608053E-04 -5.7136358E-03 6.1755677E-01 2p 3p 4p 5p 1 3.4312429E+04 3.9018437E-04 -1.7165956E-04 6.3805593E-05 -1.4843886E-05 2 5.7670787E+03 2.6314290E-03 -1.1660276E-03 4.3626662E-04 -1.0118679E-04 3 1.5356235E+03 1.5083455E-02 -6.7247745E-03 2.4990100E-03 -5.8239412E-04 4 5.1507358E+02 6.5694170E-02 -3.0077133E-02 1.1331885E-02 -2.6279608E-03 5 1.9809054E+02 2.0383074E-01 -9.7201534E-02 3.6470123E-02 -8.5209522E-03 6 8.2783160E+01 4.0037243E-01 -2.0610706E-01 7.9750013E-02 -1.8492287E-02 7 3.6380435E+01 3.8489256E-01 -1.7638409E-01 6.3010329E-02 -1.4925291E-02 8 1.5850852E+01 1.1125207E-01 2.5087798E-01 -1.2269701E-01 3.0524745E-02 9 7.2004362E+00 4.5425424E-04 5.9818080E-01 -3.4820146E-01 8.2949929E-02 10 3.3295116E+00 2.3542987E-03 2.8512418E-01 -5.8841971E-02 1.4517877E-02 11 1.3349773E+00 -8.5931097E-04 1.9167189E-02 6.2682928E-01 -2.0304431E-01 12 5.2629721E-01 2.6671727E-04 -1.6944942E-04 4.9705846E-01 -1.2860346E-01 13 1.1064428E-01 -7.3392456E-05 1.2771534E-04 4.0509086E-02 5.2370445E-01 14 3.5238500E-02 2.8100421E-05 -4.5802602E-05 -8.7607515E-03 6.0071721E-01 3d 4d 1 6.7896157E+02 1.7859810E-03 -4.9813766E-04 2 1.9812818E+02 1.5316557E-02 -4.3415520E-03 3 7.4759989E+01 7.1449884E-02 -2.0215019E-02 4 3.1680190E+01 2.0901241E-01 -6.0675890E-02 5 1.4203412E+01 3.7429713E-01 -1.0411671E-01 6 6.4756205E+00 3.9003010E-01 -9.9093953E-02 7 2.9308591E+00 1.7365568E-01 8.8470040E-02 8 1.1984628E+00 1.8167107E-02 3.9397782E-01 9 4.5903319E-01 1.7542547E-04 4.7222488E-01 10 1.5683177E-01 3.0294010E-04 2.8794027E-01 Pseudo-large component functions -------------------------------- 1s 2s 3s 4s 5s 1 3.9824383E+07 1.8443506E-06 -6.1559176E-07 2.6202781E-07 -1.0432093E-07 2.7385306E-08 2 6.4212339E+06 1.7232839E-05 -5.7473741E-06 2.4422955E-06 -9.7442713E-07 2.5611425E-07 3 1.4126319E+06 9.7497310E-05 -3.2561183E-05 1.3865134E-05 -5.5178611E-06 1.4481435E-06 4 3.7074873E+05 4.5100400E-04 -1.5053142E-04 6.3947687E-05 -2.5528746E-05 6.7120633E-06 5 1.1107658E+05 1.7856563E-03 -5.9798914E-04 2.5484829E-04 -1.0136451E-04 2.6593373E-05 6 3.6887358E+04 6.2660868E-03 -2.1036718E-03 8.9392008E-04 -3.5718363E-04 9.3953560E-05 7 1.3315239E+04 1.9703103E-02 -6.7008042E-03 2.8637644E-03 -1.1385008E-03 2.9855594E-04 8 5.1478969E+03 5.5442225E-02 -1.9278575E-02 8.2263276E-03 -3.2936925E-03 8.6704677E-04 9 2.1072753E+03 1.3531989E-01 -4.9945449E-02 2.1618928E-02 -8.6005015E-03 2.2541654E-03 10 9.0476048E+02 2.6666980E-01 -1.1041808E-01 4.8245897E-02 -1.9454167E-02 5.1317308E-03 11 4.0412275E+02 3.6045930E-01 -1.9135916E-01 8.7786944E-02 -3.5124107E-02 9.1963949E-03 12 1.8507797E+02 2.4749195E-01 -1.6889183E-01 8.0265055E-02 -3.3557808E-02 8.9631013E-03 13 7.8607973E+01 4.4977077E-02 2.0902086E-01 -1.2357213E-01 5.5010615E-02 -1.4941065E-02 14 3.8617451E+01 -4.9273825E-03 5.9976975E-01 -5.1133914E-01 2.2589911E-01 -5.9654596E-02 15 1.8919057E+01 2.4023194E-03 3.3985949E-01 -3.1884062E-01 1.6628424E-01 -4.6789130E-02 16 7.9746011E+00 -1.1151156E-03 3.3151970E-02 6.5708765E-01 -4.5589976E-01 1.3363088E-01 17 3.8247634E+00 4.8973908E-04 -2.5381137E-03 6.4840119E-01 -6.5525732E-01 1.9592857E-01 18 1.2645693E+00 -1.7436583E-04 7.2290006E-04 5.0004893E-02 7.1168223E-01 -2.8095939E-01 19 5.5772360E-01 7.7078840E-05 -3.8322358E-04 -7.4125273E-03 6.4978456E-01 -3.7887588E-01 20 1.0097051E-01 -1.8212691E-05 8.8139522E-05 1.5821868E-03 2.9590192E-02 5.5332727E-01 21 3.8104793E-02 7.7628372E-06 -4.0337333E-05 -6.9615670E-04 -5.7128309E-03 6.1755908E-01 2p 3p 4p 5p 1 3.4312429E+04 1.4502300E-04 -6.3789641E-05 2.3644170E-05 -5.5096616E-06 2 5.7670787E+03 1.9444825E-03 -8.6121259E-04 3.2255061E-04 -7.4761660E-05 3 1.5356235E+03 1.3596155E-02 -6.0509843E-03 2.2470088E-03 -5.2377769E-04 4 5.1507358E+02 6.3189976E-02 -2.8884509E-02 1.0881489E-02 -2.5231716E-03 5 1.9809054E+02 2.0084762E-01 -9.5644969E-02 3.5875050E-02 -8.3820887E-03 6 8.2783160E+01 3.9828205E-01 -2.0484835E-01 7.9255325E-02 -1.8376809E-02 7 3.6380435E+01 3.8407102E-01 -1.7608177E-01 6.2920278E-02 -1.4904779E-02 8 1.5850852E+01 1.1038273E-01 2.5071673E-01 -1.2254393E-01 3.0485493E-02 9 7.2004362E+00 -3.3726836E-04 5.9828430E-01 -3.4814251E-01 8.2933434E-02 10 3.3295116E+00 1.5655040E-03 2.8528535E-01 -5.8951402E-02 1.4547358E-02 11 1.3349773E+00 -1.4711536E-03 1.9221616E-02 6.2675240E-01 -2.0301715E-01 12 5.2629721E-01 -4.1952065E-04 -1.1806766E-04 4.9701018E-01 -1.2859291E-01 13 1.1064428E-01 -7.0086434E-04 1.7565166E-04 4.0445704E-02 5.2371279E-01 14 3.5238500E-02 -3.0377926E-04 -2.0833582E-05 -8.7936557E-03 6.0072317E-01 3d 4d 1 6.7896157E+02 1.6593716E-03 -4.6255014E-04 2 1.9812818E+02 1.4990237E-02 -4.2487641E-03 3 7.4759989E+01 7.0852944E-02 -2.0042368E-02 4 3.1680190E+01 2.0836137E-01 -6.0482025E-02 5 1.4203412E+01 3.7383040E-01 -1.0398141E-01 6 6.4756205E+00 3.8985066E-01 -9.9053940E-02 7 2.9308591E+00 1.7357236E-01 8.8441237E-02 8 1.1984628E+00 1.8106202E-02 3.9394668E-01 9 4.5903319E-01 1.4119728E-04 4.7221445E-01 10 1.5683177E-01 2.8289668E-04 2.8793507E-01 Foldy-Wouthuysen functions -------------------------- 1s 2s 3s 4s 5s 1 3.9824383E+07 7.8870466E-05 -2.6687314E-05 1.1383194E-05 -4.5348416E-06 1.1890089E-06 2 6.4212339E+06 2.4419032E-04 -8.2508532E-05 3.5033898E-05 -1.3986693E-05 3.6815094E-06 3 1.4126319E+06 6.3706787E-04 -2.1617399E-04 9.2394931E-05 -3.6784682E-05 9.6369063E-06 4 3.7074873E+05 1.5688098E-03 -5.3089472E-04 2.2557839E-04 -9.0099289E-05 2.3733485E-05 5 1.1107658E+05 3.8736476E-03 -1.3177969E-03 5.6438941E-04 -2.2456208E-04 5.8810273E-05 6 3.6887358E+04 9.8293448E-03 -3.3456137E-03 1.4241024E-03 -5.6919339E-04 1.4995756E-04 7 1.3315239E+04 2.5365749E-02 -8.7697093E-03 3.7632776E-03 -1.4976367E-03 3.9252016E-04 8 5.1478969E+03 6.3539657E-02 -2.2482320E-02 9.6168581E-03 -3.8502463E-03 1.0140503E-03 9 2.1072753E+03 1.4473678E-01 -5.4491861E-02 2.3649685E-02 -9.4098117E-03 2.4654802E-03 10 9.0476048E+02 2.7321332E-01 -1.1549065E-01 5.0627068E-02 -2.0433429E-02 5.3918620E-03 11 4.0412275E+02 3.5941067E-01 -1.9513245E-01 8.9787936E-02 -3.5933853E-02 9.4077618E-03 12 1.8507797E+02 2.4245348E-01 -1.6826628E-01 8.0076309E-02 -3.3515320E-02 8.9560319E-03 13 7.8607973E+01 4.3373081E-02 2.1209048E-01 -1.2572298E-01 5.5985879E-02 -1.5205678E-02 14 3.8617451E+01 -5.0027989E-03 5.9988406E-01 -5.1302488E-01 2.2673704E-01 -5.9878791E-02 15 1.8919057E+01 2.3651603E-03 3.3877816E-01 -3.1814012E-01 1.6600546E-01 -4.6719211E-02 16 7.9746011E+00 -1.1123179E-03 3.2919665E-02 6.5771631E-01 -4.5657270E-01 1.3383914E-01 17 3.8247634E+00 4.8482368E-04 -2.5147759E-03 6.4802593E-01 -6.5516203E-01 1.9590163E-01 18 1.2645693E+00 -1.7518752E-04 6.9924171E-04 4.9975237E-02 7.1180207E-01 -2.8102565E-01 19 5.5772360E-01 7.6485472E-05 -3.6586962E-04 -7.4312256E-03 6.4972032E-01 -3.7886384E-01 20 1.0097051E-01 -1.8463033E-05 7.6504232E-05 1.5961868E-03 2.9587340E-02 5.5333375E-01 21 3.8104793E-02 7.9939075E-06 -3.1781065E-05 -7.0657778E-04 -5.7137050E-03 6.1755598E-01 2p 3p 4p 5p 1 3.4312429E+04 4.2405681E-04 -1.8589012E-04 6.8817999E-05 -1.6046671E-05 2 5.7670787E+03 2.7542633E-03 -1.2188066E-03 4.5668554E-04 -1.0580367E-04 3 1.5356235E+03 1.5456260E-02 -6.8845405E-03 2.5565314E-03 -5.9605153E-04 4 5.1507358E+02 6.6570612E-02 -3.0474030E-02 1.1483646E-02 -2.6626861E-03 5 1.9809054E+02 2.0515743E-01 -9.7846714E-02 3.6709899E-02 -8.5776894E-03 6 8.2783160E+01 4.0140829E-01 -2.0672745E-01 8.0002828E-02 -1.8550243E-02 7 3.6380435E+01 3.8497972E-01 -1.7643664E-01 6.3022507E-02 -1.4929695E-02 8 1.5850852E+01 1.1110080E-01 2.5122078E-01 -1.2284309E-01 3.0561382E-02 9 7.2004362E+00 4.3690212E-04 5.9831296E-01 -3.4831201E-01 8.2976018E-02 10 3.3295116E+00 2.3523672E-03 2.8508181E-01 -5.8791075E-02 1.4506572E-02 11 1.3349773E+00 -8.5922132E-04 1.9159134E-02 6.2686883E-01 -2.0305880E-01 12 5.2629721E-01 2.6662821E-04 -1.7067418E-04 4.9705486E-01 -1.2860147E-01 13 1.1064428E-01 -7.3400296E-05 1.2799248E-04 4.0507710E-02 5.2370737E-01 14 3.5238500E-02 2.8095129E-05 -4.5888166E-05 -8.7607403E-03 6.0071713E-01 3d 4d 1 6.7896157E+02 1.8141336E-03 -5.0569886E-04 2 1.9812818E+02 1.5422322E-02 -4.3718790E-03 3 7.4759989E+01 7.1680220E-02 -2.0279663E-02 4 3.1680190E+01 2.0931658E-01 -6.0766756E-02 5 1.4203412E+01 3.7450855E-01 -1.0417536E-01 6 6.4756205E+00 3.9009057E-01 -9.9112625E-02 7 2.9308591E+00 1.7364378E-01 8.8497021E-02 8 1.1984628E+00 1.8164102E-02 3.9399879E-01 9 4.5903319E-01 1.7506517E-04 4.7222999E-01 10 1.5683177E-01 3.0301765E-04 2.8794031E-01 ** Ru 102 ** Large component functions ------------------------- 1s 2s 3s 4s 5s 1 4.0381200E+07 3.0902999E-05 -1.0372543E-05 4.4411873E-06 -1.7951042E-06 4.6340619E-07 2 6.6007587E+06 1.0822532E-04 -3.6418658E-05 1.5591117E-05 -6.3065793E-06 1.6279618E-06 3 1.4639996E+06 3.3482773E-04 -1.1317347E-04 4.8517801E-05 -1.9606374E-05 5.0617058E-06 4 3.8602573E+05 9.9286690E-04 -3.3707333E-04 1.4441809E-04 -5.8464130E-05 1.5091517E-05 5 1.1596395E+05 2.9050618E-03 -9.9314849E-04 4.2667219E-04 -1.7233534E-04 4.4496305E-05 6 3.8564729E+04 8.3514866E-03 -2.8722415E-03 1.2319270E-03 -4.9937232E-04 1.2890001E-04 7 1.3929658E+04 2.3154163E-02 -8.0791425E-03 3.4837025E-03 -1.4062273E-03 3.6314925E-04 8 5.3864183E+03 6.0265259E-02 -2.1512468E-02 9.2663914E-03 -3.7650591E-03 9.7188635E-04 9 2.2047472E+03 1.4031172E-01 -5.3135317E-02 2.3209158E-02 -9.3731991E-03 2.4217551E-03 10 9.4644029E+02 2.6879269E-01 -1.1402669E-01 5.0277185E-02 -2.0578454E-02 5.3147849E-03 11 4.2268028E+02 3.5701288E-01 -1.9381747E-01 8.9710171E-02 -3.6433212E-02 9.4319844E-03 12 1.9359728E+02 2.4231138E-01 -1.6685498E-01 7.9816555E-02 -3.3904555E-02 8.7703916E-03 13 8.2159704E+01 4.3607604E-02 2.1677370E-01 -1.3037860E-01 5.9021850E-02 -1.5365017E-02 14 4.0349559E+01 -4.8659243E-03 6.0002620E-01 -5.1970970E-01 2.3357740E-01 -6.1620800E-02 15 1.9791650E+01 2.3773250E-03 3.3319744E-01 -3.1154047E-01 1.6680904E-01 -4.4523304E-02 16 8.3989208E+00 -1.1134100E-03 3.1830207E-02 6.7088792E-01 -4.8176428E-01 1.3567234E-01 17 4.0522132E+00 4.8679404E-04 -2.3357393E-03 6.3849308E-01 -6.5532000E-01 1.9912040E-01 18 1.3493987E+00 -1.6453577E-04 5.8236620E-04 4.7466859E-02 7.7084137E-01 -3.1760059E-01 19 5.7653049E-01 6.8211487E-05 -2.9968331E-04 -6.2984893E-03 6.1143090E-01 -3.2941336E-01 20 9.1034426E-02 -1.5663765E-05 6.0356033E-05 1.3184234E-03 1.9888761E-02 7.0828886E-01 21 3.4627268E-02 7.2086869E-06 -2.6250735E-05 -6.2230919E-04 -3.7453564E-03 4.5048593E-01 2p 3p 4p 5p 1 3.6847221E+04 3.9650451E-04 -1.7586243E-04 6.6573227E-05 -1.5130852E-05 2 6.1483915E+03 2.6377533E-03 -1.1786075E-03 4.4889796E-04 -1.0168797E-04 3 1.6267939E+03 1.5086459E-02 -6.7818812E-03 2.5672960E-03 -5.8464523E-04 4 5.4330098E+02 6.5842709E-02 -3.0404624E-02 1.1662088E-02 -2.6412394E-03 5 2.0832396E+02 2.0475502E-01 -9.8483112E-02 3.7657377E-02 -8.5993648E-03 6 8.6879950E+01 4.0220989E-01 -2.0901743E-01 8.2357827E-02 -1.8646081E-02 7 3.8121232E+01 3.8414038E-01 -1.7589997E-01 6.3936107E-02 -1.4833325E-02 8 1.6584330E+01 1.0916574E-01 2.6104839E-01 -1.3136429E-01 3.2070617E-02 9 7.5435594E+00 1.5183556E-04 6.0300985E-01 -3.6063549E-01 8.3849908E-02 10 3.4897887E+00 2.3258267E-03 2.7213900E-01 -4.0968034E-02 9.8541879E-03 11 1.4281191E+00 -8.8029691E-04 1.6787099E-02 6.3887912E-01 -2.0436471E-01 12 5.6458027E-01 2.6072109E-04 3.1148765E-04 4.8242083E-01 -1.1576131E-01 13 1.1702827E-01 -7.0466706E-05 3.9679136E-05 3.6891656E-02 5.2724827E-01 14 3.6706718E-02 2.6706414E-05 -1.0881294E-05 -7.8758044E-03 5.9673691E-01 3d 4d 1 6.5957508E+02 2.1468959E-03 -6.2985323E-04 2 1.9250754E+02 1.8176824E-02 -5.3738043E-03 3 7.2465139E+01 8.3075046E-02 -2.4758188E-02 4 3.0614274E+01 2.3466776E-01 -7.1007759E-02 5 1.3621180E+01 3.9830424E-01 -1.1628935E-01 6 6.1557769E+00 3.7437234E-01 -8.7210189E-02 7 2.7249321E+00 1.3145260E-01 1.5048685E-01 8 1.1293800E+00 7.9125584E-03 4.3679283E-01 9 4.2734929E-01 1.1149121E-03 4.5451132E-01 10 1.4205785E-01 -4.8451064E-06 2.1145679E-01 Pseudo-large component functions -------------------------------- 1s 2s 3s 4s 5s 1 4.0381200E+07 1.9105433E-06 -6.4022733E-07 2.7421363E-07 -1.1074584E-07 2.8590800E-08 2 6.6007587E+06 1.7716367E-05 -5.9319504E-06 2.5363959E-06 -1.0266096E-06 2.6498295E-07 3 1.4639996E+06 9.9381824E-05 -3.3323484E-05 1.4278191E-05 -5.7641538E-06 1.4881672E-06 4 3.8602573E+05 4.5724982E-04 -1.5322085E-04 6.5495099E-05 -2.6524862E-05 6.8461329E-06 5 1.1596395E+05 1.8037257E-03 -6.0648802E-04 2.6008330E-04 -1.0493761E-04 2.7094225E-05 6 3.8564729E+04 6.3143319E-03 -2.1283606E-03 9.1005104E-04 -3.6889582E-04 9.5208972E-05 7 1.3929658E+04 1.9819858E-02 -6.7683969E-03 2.9107818E-03 -1.1738726E-03 3.0312993E-04 8 5.3864183E+03 5.5694355E-02 -1.9445023E-02 8.3495138E-03 -3.3915723E-03 8.7537969E-04 9 2.2047472E+03 1.3575472E-01 -5.0319139E-02 2.1919654E-02 -8.8461021E-03 2.2854229E-03 10 9.4644029E+02 2.6711398E-01 -1.1105113E-01 4.8837627E-02 -1.9982215E-02 5.1603549E-03 11 4.2268028E+02 3.6014309E-01 -1.9194005E-01 8.8653261E-02 -3.5987697E-02 9.3161581E-03 12 1.9359728E+02 2.4632392E-01 -1.6744206E-01 8.0073263E-02 -3.4005489E-02 8.7964208E-03 13 8.2159704E+01 4.4473113E-02 2.1517962E-01 -1.2889692E-01 5.8335810E-02 -1.5184293E-02 14 4.0349559E+01 -4.9706616E-03 6.0079109E-01 -5.1901531E-01 2.3317218E-01 -6.1510903E-02 15 1.9791650E+01 2.4241824E-03 3.3393016E-01 -3.1193150E-01 1.6700771E-01 -4.4575836E-02 16 8.3989208E+00 -1.1335891E-03 3.1995153E-02 6.7063596E-01 -4.8135053E-01 1.3554388E-01 17 4.0522132E+00 4.9531322E-04 -2.3983825E-03 6.3886016E-01 -6.5543048E-01 1.9915175E-01 18 1.3493987E+00 -1.6677953E-04 6.1709004E-04 4.7452661E-02 7.7082035E-01 -3.1756695E-01 19 5.7653049E-01 6.8809733E-05 -3.2105311E-04 -6.2778460E-03 6.1148005E-01 -3.2942278E-01 20 9.1034426E-02 -1.5510510E-05 7.1907694E-05 1.3056296E-03 1.9888085E-02 7.0828760E-01 21 3.4627268E-02 6.9781744E-06 -3.5196707E-05 -6.1208152E-04 -3.7442692E-03 4.5048809E-01 2p 3p 4p 5p 1 3.6847221E+04 1.4213506E-04 -6.3029936E-05 2.3797436E-05 -5.4188114E-06 2 6.1483915E+03 1.9193868E-03 -8.5725530E-04 3.2682667E-04 -7.3977820E-05 3 1.6267939E+03 1.3524111E-02 -6.0682983E-03 2.2955031E-03 -5.2288310E-04 4 5.4330098E+02 6.3203769E-02 -2.9137238E-02 1.1174609E-02 -2.5304423E-03 5 2.0832396E+02 2.0160675E-01 -9.6825508E-02 3.7011565E-02 -8.4521037E-03 6 8.6879950E+01 4.0001137E-01 -2.0768038E-01 8.1822266E-02 -1.8523943E-02 7 3.8121232E+01 3.8327994E-01 -1.7558998E-01 6.3844271E-02 -1.4812936E-02 8 1.6584330E+01 1.0824880E-01 2.6087092E-01 -1.3119107E-01 3.2027026E-02 9 7.5435594E+00 -6.7996196E-04 6.0312676E-01 -3.6057466E-01 8.3833220E-02 10 3.4897887E+00 1.5024878E-03 2.7230720E-01 -4.1091029E-02 9.8868768E-03 11 1.4281191E+00 -1.5072095E-03 1.6841125E-02 6.3880061E-01 -2.0433701E-01 12 5.6458027E-01 -4.7413640E-04 3.6604801E-04 4.8236626E-01 -1.1574999E-01 13 1.1702827E-01 -7.3809859E-04 8.9760737E-05 3.6822038E-02 5.2725726E-01 14 3.6706718E-02 -3.2320216E-04 1.5113667E-05 -7.9118624E-03 5.9674327E-01 3d 4d 1 6.5957508E+02 1.9979210E-03 -5.8597957E-04 2 1.9250754E+02 1.7799879E-02 -5.2615231E-03 3 7.2465139E+01 8.2405002E-02 -2.4554292E-02 4 3.0614274E+01 2.3397276E-01 -7.0790873E-02 5 1.3621180E+01 3.9783744E-01 -1.1614776E-01 6 6.1557769E+00 3.7421237E-01 -8.7184246E-02 7 2.7249321E+00 1.3136621E-01 1.5044770E-01 8 1.1293800E+00 7.8538359E-03 4.3676307E-01 9 4.2734929E-01 1.0795376E-03 4.5450148E-01 10 1.4205785E-01 -2.3381855E-05 2.1145197E-01 Foldy-Wouthuysen functions -------------------------- 1s 2s 3s 4s 5s 1 4.0381200E+07 8.4311291E-05 -2.8646452E-05 1.2294709E-05 -4.9680561E-06 1.2828025E-06 2 6.6007587E+06 2.5901004E-04 -8.7893155E-05 3.7556829E-05 -1.5213396E-05 3.9250195E-06 3 1.4639996E+06 6.7093189E-04 -2.2864431E-04 9.8327174E-05 -3.9704374E-05 1.0254711E-05 4 3.8602573E+05 1.6396651E-03 -5.5746956E-04 2.3837072E-04 -9.6606629E-05 2.4924620E-05 5 1.1596395E+05 4.0120657E-03 -1.3715034E-03 5.9105266E-04 -2.3853141E-04 6.1608203E-05 6 3.8564729E+04 1.0080415E-02 -3.4484179E-03 1.4772621E-03 -5.9907685E-04 1.5458471E-04 7 1.3929658E+04 2.5788656E-02 -8.9613530E-03 3.8700915E-03 -1.5622989E-03 4.0373668E-04 8 5.3864183E+03 6.4196401E-02 -2.2829061E-02 9.8284099E-03 -3.9926031E-03 1.0301850E-03 9 2.2047472E+03 1.4560723E-01 -5.5105715E-02 2.4071556E-02 -9.7153308E-03 2.5103459E-03 10 9.4644029E+02 2.7393212E-01 -1.1637888E-01 5.1356524E-02 -2.1034725E-02 5.4325576E-03 11 4.2268028E+02 3.5901542E-01 -1.9588787E-01 9.0764659E-02 -3.6854093E-02 9.5416689E-03 12 1.9359728E+02 2.4105595E-01 -1.6674683E-01 7.9850644E-02 -3.3950994E-02 8.7831880E-03 13 8.2159704E+01 4.2805492E-02 2.1841689E-01 -1.3120389E-01 5.9400167E-02 -1.5463800E-02 14 4.0349559E+01 -5.0480854E-03 6.0086610E-01 -5.2078043E-01 2.3406835E-01 -6.1752475E-02 15 1.9791650E+01 2.3847964E-03 3.3280412E-01 -3.1116596E-01 1.6669585E-01 -4.4493832E-02 16 8.3989208E+00 -1.1303588E-03 3.1751672E-02 6.7129849E-01 -4.8209515E-01 1.3576734E-01 17 4.0522132E+00 4.8999667E-04 -2.3721535E-03 6.3845383E-01 -6.5530755E-01 1.9912008E-01 18 1.3493987E+00 -1.6761526E-04 5.9242122E-04 4.7421894E-02 7.7094302E-01 -3.1763991E-01 19 5.7653049E-01 6.8212739E-05 -3.0390829E-04 -6.2962809E-03 6.1141155E-01 -3.2940686E-01 20 9.1034426E-02 -1.5745327E-05 6.0427440E-05 1.3192406E-03 1.9886742E-02 7.0829310E-01 21 3.4627268E-02 7.2012333E-06 -2.6365744E-05 -6.2269725E-04 -3.7457195E-03 4.5048501E-01 2p 3p 4p 5p 1 3.6847221E+04 4.3183143E-04 -1.9081744E-04 7.1949867E-05 -1.6396108E-05 2 6.1483915E+03 2.7676967E-03 -1.2350192E-03 4.7107353E-04 -1.0657016E-04 3 1.6267939E+03 1.5478526E-02 -6.9513041E-03 2.6295015E-03 -5.9911392E-04 4 5.4330098E+02 6.6765185E-02 -3.0826201E-02 1.1826106E-02 -2.6778230E-03 5 2.0832396E+02 2.0615414E-01 -9.9169343E-02 3.7917446E-02 -8.6596132E-03 6 8.6879950E+01 4.0330122E-01 -2.0967863E-01 8.2632288E-02 -1.8707407E-02 7 3.8121232E+01 3.8422665E-01 -1.7594876E-01 6.3946871E-02 -1.4837621E-02 8 1.6584330E+01 1.0900750E-01 2.6141592E-01 -1.3152630E-01 3.2110596E-02 9 7.5435594E+00 1.3376972E-04 6.0314664E-01 -3.6075397E-01 8.3877039E-02 10 3.4897887E+00 2.3240070E-03 2.7209155E-01 -4.0908432E-02 9.8412064E-03 11 1.4281191E+00 -8.8027721E-04 1.6779410E-02 6.3892048E-01 -2.0437994E-01 12 5.6458027E-01 2.6063743E-04 3.1013896E-04 4.8241658E-01 -1.1575889E-01 13 1.1702827E-01 -7.0474047E-05 3.9958837E-05 3.6890259E-02 5.2725128E-01 14 3.6706718E-02 2.6701401E-05 -1.0967541E-05 -7.8758029E-03 5.9673684E-01 3d 4d 1 6.5957508E+02 2.1808002E-03 -6.3958216E-04 2 1.9250754E+02 1.8301476E-02 -5.4107928E-03 3 7.2465139E+01 8.3337883E-02 -2.4836493E-02 4 3.0614274E+01 2.3499650E-01 -7.1109572E-02 5 1.3621180E+01 3.9851286E-01 -1.1635179E-01 6 6.1557769E+00 3.7441717E-01 -8.7219826E-02 7 2.7249321E+00 1.3143778E-01 1.5052041E-01 8 1.1293800E+00 7.9109226E-03 4.3681227E-01 9 4.2734929E-01 1.1145809E-03 4.5451517E-01 10 1.4205785E-01 -4.7671538E-06 2.1145647E-01 ** Rh 103 ** Large component functions ------------------------- 1s 2s 3s 4s 5s 1 4.1493633E+07 3.2725078E-05 -1.1027551E-05 4.7494442E-06 -1.9439918E-06 4.9314882E-07 2 6.8669898E+06 1.1346131E-04 -3.8333199E-05 1.6507536E-05 -6.7618684E-06 1.7152671E-06 3 1.5342714E+06 3.4731431E-04 -1.1786912E-04 5.0829093E-05 -2.0800417E-05 5.2769345E-06 4 4.0621857E+05 1.0185642E-03 -3.4725750E-04 1.4966583E-04 -6.1356971E-05 1.5564166E-05 5 1.2230368E+05 2.9503530E-03 -1.0130583E-03 4.3781674E-04 -1.7907667E-04 4.5435597E-05 6 4.0715370E+04 8.4123147E-03 -2.9066068E-03 1.2541670E-03 -5.1485303E-04 1.3059793E-04 7 1.4711121E+04 2.3184408E-02 -8.1276291E-03 3.5256872E-03 -1.4411936E-03 3.6572655E-04 8 5.6879216E+03 6.0112429E-02 -2.1558319E-02 9.3423555E-03 -3.8444145E-03 9.7522943E-04 9 2.3273303E+03 1.3969414E-01 -5.3119996E-02 2.3342278E-02 -9.5462396E-03 2.4236878E-03 10 9.9858590E+02 2.6765972E-01 -1.1390834E-01 5.0527169E-02 -2.0947616E-02 5.3169293E-03 11 4.4573289E+02 3.5652452E-01 -1.9367653E-01 9.0175387E-02 -3.7086388E-02 9.4345631E-03 12 2.0407625E+02 2.4353816E-01 -1.6745809E-01 8.0548352E-02 -3.4677103E-02 8.8180074E-03 13 8.6738474E+01 4.4394428E-02 2.1458866E-01 -1.3020885E-01 5.9873131E-02 -1.5329430E-02 14 4.2620552E+01 -4.9098292E-03 5.9933780E-01 -5.2241822E-01 2.3805385E-01 -6.1736445E-02 15 2.0926967E+01 2.4176221E-03 3.3535547E-01 -3.1581953E-01 1.7235880E-01 -4.5306256E-02 16 8.9076405E+00 -1.1430573E-03 3.2383455E-02 6.7419273E-01 -4.9716325E-01 1.3815529E-01 17 4.3231995E+00 5.0618837E-04 -2.4805775E-03 6.3782410E-01 -6.6171282E-01 1.9769829E-01 18 1.4648293E+00 -1.7041203E-04 5.9977510E-04 4.7961678E-02 7.7985700E-01 -3.1641480E-01 19 6.2343668E-01 6.8893574E-05 -3.0234164E-04 -5.9049905E-03 6.1268934E-01 -3.2166832E-01 20 9.6575948E-02 -1.5415749E-05 5.9122744E-05 1.2290848E-03 1.9382548E-02 6.9838645E-01 21 3.6265477E-02 7.0698148E-06 -2.5594768E-05 -5.7942339E-04 -3.8096935E-03 4.5705863E-01 2p 3p 4p 5p 1 4.0638167E+04 3.9148656E-04 -1.7498018E-04 6.7298656E-05 -1.4863711E-05 2 6.7182133E+03 2.5551316E-03 -1.1503792E-03 4.4507899E-04 -9.7970436E-05 3 1.7629155E+03 1.4578803E-02 -6.6046032E-03 2.5402449E-03 -5.6221111E-04 4 5.8550105E+02 6.3961395E-02 -2.9746808E-02 1.1590849E-02 -2.5507203E-03 5 2.2367423E+02 2.0076938E-01 -9.7248560E-02 3.7786028E-02 -8.3867478E-03 6 9.3064926E+01 3.9947479E-01 -2.0894010E-01 8.3642798E-02 -1.8401095E-02 7 4.0779673E+01 3.8864516E-01 -1.8141737E-01 6.7343755E-02 -1.5189692E-02 8 1.7749568E+01 1.1347597E-01 2.5426674E-01 -1.3112133E-01 3.1224177E-02 9 8.0881635E+00 2.3652403E-04 6.0659439E-01 -3.7044218E-01 8.3777659E-02 10 3.7486763E+00 2.4238670E-03 2.7458293E-01 -3.9622238E-02 9.1090787E-03 11 1.5425649E+00 -9.3729220E-04 1.6987025E-02 6.4627690E-01 -2.0176654E-01 12 6.0919424E-01 2.7051656E-04 4.2715896E-04 4.7719194E-01 -1.0792934E-01 13 1.2396187E-01 -7.2070306E-05 3.4638242E-05 3.4972179E-02 5.2218589E-01 14 3.8271093E-02 2.7171758E-05 -8.5307882E-06 -7.5212401E-03 6.0153816E-01 3d 4d 1 7.0079594E+02 2.1445740E-03 -6.5472953E-04 2 2.0426232E+02 1.8191634E-02 -5.5841329E-03 3 7.6870050E+01 8.3436774E-02 -2.5889502E-02 4 3.2488391E+01 2.3632014E-01 -7.4275475E-02 5 1.4467485E+01 4.0118924E-01 -1.2219765E-01 6 6.5526559E+00 3.7293839E-01 -8.7020729E-02 7 2.9003809E+00 1.2623848E-01 1.6533004E-01 8 1.2182132E+00 6.7978600E-03 4.4353960E-01 9 4.6648382E-01 1.3377638E-03 4.4354852E-01 10 1.5677540E-01 -3.7743139E-05 1.9806304E-01 Pseudo-large component functions -------------------------------- 1s 2s 3s 4s 5s 1 4.1493633E+07 1.9483439E-06 -6.5546031E-07 2.8239266E-07 -1.1548852E-07 2.9298545E-08 2 6.8669898E+06 1.7942970E-05 -6.0315591E-06 2.5941499E-06 -1.0633129E-06 2.6970618E-07 3 1.5342714E+06 9.9876636E-05 -3.3621126E-05 1.4490568E-05 -5.9237172E-06 1.5028541E-06 4 4.0621857E+05 4.5731774E-04 -1.5385280E-04 6.6152301E-05 -2.7131360E-05 6.8815086E-06 5 1.2230368E+05 1.7983085E-03 -6.0704881E-04 2.6185741E-04 -1.0698587E-04 2.7144112E-05 6 4.0715370E+04 6.2833462E-03 -2.1263486E-03 9.1455054E-04 -3.7543532E-04 9.5221047E-05 7 1.4711121E+04 1.9700364E-02 -6.7535102E-03 2.9214977E-03 -1.1930422E-03 3.0273612E-04 8 5.6879216E+03 5.5332279E-02 -1.9390782E-02 8.3753543E-03 -3.4454711E-03 8.7392609E-04 9 2.3273303E+03 1.3491449E-01 -5.0165443E-02 2.1981319E-02 -8.9827911E-03 2.2804701E-03 10 9.9858590E+02 2.6586861E-01 -1.1078075E-01 4.9005057E-02 -2.0308969E-02 5.1543610E-03 11 4.4573289E+02 3.5977196E-01 -1.9169547E-01 8.9054043E-02 -3.6607449E-02 9.3121816E-03 12 2.0407625E+02 2.4776077E-01 -1.6806643E-01 8.0814889E-02 -3.4783068E-02 8.8448544E-03 13 8.6738474E+01 4.5319806E-02 2.1290746E-01 -1.2863803E-01 5.9135188E-02 -1.5138288E-02 14 4.2620552E+01 -5.0208016E-03 6.0013276E-01 -5.2167223E-01 2.3761169E-01 -6.1618448E-02 15 2.0926967E+01 2.4678213E-03 3.3613287E-01 -3.1623823E-01 1.7257459E-01 -4.5362398E-02 16 8.9076405E+00 -1.1649402E-03 3.2560149E-02 6.7391880E-01 -4.9670607E-01 1.3801533E-01 17 4.3231995E+00 5.1556624E-04 -2.5479557E-03 6.3822117E-01 -6.6183997E-01 1.9773423E-01 18 1.4648293E+00 -1.7291153E-04 6.3664402E-04 4.7945820E-02 7.7983725E-01 -3.1637977E-01 19 6.2343668E-01 6.9559546E-05 -3.2455073E-04 -5.8826907E-03 6.1274139E-01 -3.2167793E-01 20 9.6575948E-02 -1.5270267E-05 7.0898374E-05 1.2156217E-03 1.9382423E-02 6.9838492E-01 21 3.6265477E-02 6.8403450E-06 -3.4727793E-05 -5.6865576E-04 -3.8089961E-03 4.5706103E-01 2p 3p 4p 5p 1 4.0638167E+04 1.3333702E-04 -5.9596114E-05 2.2860336E-05 -5.0591109E-06 2 6.7182133E+03 1.8186760E-03 -8.1848412E-04 3.1700113E-04 -6.9718075E-05 3 1.7629155E+03 1.2964869E-02 -5.8622215E-03 2.2529865E-03 -4.9877647E-04 4 5.8550105E+02 6.1212546E-02 -2.8418244E-02 1.1071706E-02 -2.4360557E-03 5 2.2367423E+02 1.9745302E-01 -9.5492462E-02 3.7090789E-02 -8.2326722E-03 6 9.3064926E+01 3.9712627E-01 -2.0750353E-01 8.3057866E-02 -1.8271439E-02 7 4.0779673E+01 3.8772769E-01 -1.8107168E-01 6.7237247E-02 -1.5166646E-02 8 1.7749568E+01 1.1252085E-01 2.5407079E-01 -1.3092884E-01 3.1177011E-02 9 8.0881635E+00 -6.4024161E-04 6.0671559E-01 -3.7037235E-01 8.3759110E-02 10 3.7486763E+00 1.5571302E-03 2.7476327E-01 -3.9758085E-02 9.1443644E-03 11 1.5425649E+00 -1.5954136E-03 1.7043018E-02 6.4619355E-01 -2.0173771E-01 12 6.0919424E-01 -5.1317833E-04 4.8458183E-04 4.7713145E-01 -1.0791730E-01 13 1.2396187E-01 -7.8697036E-04 8.7366012E-05 3.4895404E-02 5.2219561E-01 14 3.8271093E-02 -3.3849472E-04 1.8244825E-05 -7.5601355E-03 6.0154478E-01 3d 4d 1 7.0079594E+02 1.9875350E-03 -6.0665320E-04 2 2.0426232E+02 1.7791658E-02 -5.4602767E-03 3 7.6870050E+01 8.2722640E-02 -2.5663304E-02 4 3.2488391E+01 2.3557620E-01 -7.4033807E-02 5 1.4467485E+01 4.0069120E-01 -1.2204017E-01 6 6.5526559E+00 3.7277077E-01 -8.6995799E-02 7 2.9003809E+00 1.2614635E-01 1.6528462E-01 8 1.2182132E+00 6.7356433E-03 4.4350779E-01 9 4.6648382E-01 1.2994094E-03 4.4353785E-01 10 1.5677540E-01 -5.7900202E-05 1.9805774E-01 Foldy-Wouthuysen functions -------------------------- 1s 2s 3s 4s 5s 1 4.1493633E+07 8.9288710E-05 -3.0461997E-05 1.3150312E-05 -5.3804466E-06 1.3652058E-06 2 6.8669898E+06 2.7225617E-04 -9.2783322E-05 3.9885525E-05 -1.6364153E-05 4.1488920E-06 3 1.5342714E+06 7.0032470E-04 -2.3967044E-04 1.0366486E-04 -4.2382430E-05 1.0756576E-05 4 4.0621857E+05 1.6982972E-03 -5.8007905E-04 2.4953303E-04 -1.0243415E-04 2.5970931E-05 5 1.2230368E+05 4.1167494E-03 -1.4139441E-03 6.1290633E-04 -2.5044216E-04 6.3563806E-05 6 4.0715370E+04 1.0236702E-02 -3.5193845E-03 1.5168266E-03 -6.2304287E-04 1.5798541E-04 7 1.4711121E+04 2.5954478E-02 -9.0624112E-03 3.9372512E-03 -1.6093466E-03 4.0869120E-04 8 5.6879216E+03 6.4219694E-02 -2.2944581E-02 9.9383263E-03 -4.0892863E-03 1.0369085E-03 9 2.3273303E+03 1.4521211E-01 -5.5182869E-02 2.4250399E-02 -9.9103311E-03 2.5162860E-03 10 9.9858590E+02 2.7303671E-01 -1.1637380E-01 5.1665247E-02 -2.1435789E-02 5.4408334E-03 11 4.4573289E+02 3.5866143E-01 -1.9585205E-01 9.1289210E-02 -3.7535903E-02 9.5496115E-03 12 2.0407625E+02 2.4224688E-01 -1.6736241E-01 8.0593249E-02 -3.4731335E-02 8.8327049E-03 13 8.6738474E+01 4.3543597E-02 2.1631292E-01 -1.3108057E-01 6.0278394E-02 -1.5433483E-02 14 4.2620552E+01 -5.1016343E-03 6.0023117E-01 -5.2355823E-01 2.3858466E-01 -6.1876398E-02 15 2.0926967E+01 2.4247630E-03 3.3494287E-01 -3.1542570E-01 1.7224001E-01 -4.5276019E-02 16 8.9076405E+00 -1.1608402E-03 3.2299198E-02 6.7463456E-01 -4.9752818E-01 1.3825862E-01 17 4.3231995E+00 5.0951219E-04 -2.5197020E-03 6.3778136E-01 -6.6169594E-01 1.9769685E-01 18 1.4648293E+00 -1.7366628E-04 6.1060611E-04 4.7913022E-02 7.7996771E-01 -3.1645696E-01 19 6.2343668E-01 6.8857779E-05 -3.0681946E-04 -5.9026372E-03 6.1266848E-01 -3.2166132E-01 20 9.6575948E-02 -1.5490545E-05 5.9197615E-05 1.2298870E-03 1.9380371E-02 6.9839085E-01 21 3.6265477E-02 7.0567045E-06 -2.5710652E-05 -5.7982096E-04 -3.8100572E-03 4.5705769E-01 2p 3p 4p 5p 1 4.0638167E+04 4.2729524E-04 -1.9027217E-04 7.2884750E-05 -1.6142708E-05 2 6.7182133E+03 2.6890299E-03 -1.2089826E-03 4.6847910E-04 -1.0297194E-04 3 1.7629155E+03 1.4981534E-02 -6.7801229E-03 2.6057052E-03 -5.7702235E-04 4 5.8550105E+02 6.4914758E-02 -3.0185342E-02 1.1764210E-02 -2.5882651E-03 5 2.2367423E+02 2.0223555E-01 -9.7972200E-02 3.8064625E-02 -8.4495097E-03 6 9.3064926E+01 4.0064330E-01 -2.0964957E-01 8.3941912E-02 -1.8466019E-02 7 4.0779673E+01 3.8875405E-01 -1.8148383E-01 6.7361778E-02 -1.5195705E-02 8 1.7749568E+01 1.1330531E-01 2.5465888E-01 -1.3129758E-01 3.1266564E-02 9 8.0881635E+00 2.1671344E-04 6.0674560E-01 -3.7057450E-01 8.3807129E-02 10 3.7486763E+00 2.4216551E-03 2.7453116E-01 -3.9555249E-02 9.0947893E-03 11 1.5425649E+00 -9.3716838E-04 1.6978724E-02 6.4632156E-01 -2.0178262E-01 12 6.0919424E-01 2.7038528E-04 4.2570190E-04 4.7718712E-01 -1.0792662E-01 13 1.2396187E-01 -7.2068545E-05 3.4930285E-05 3.4970728E-02 5.2218898E-01 14 3.8271093E-02 2.7163180E-05 -8.6204741E-06 -7.5212435E-03 6.0153812E-01 3d 4d 1 7.0079594E+02 2.1803090E-03 -6.6544165E-04 2 2.0426232E+02 1.8323403E-02 -5.6246355E-03 3 7.6870050E+01 8.3716558E-02 -2.5976447E-02 4 3.2488391E+01 2.3667193E-01 -7.4388482E-02 5 1.4467485E+01 4.0141300E-01 -1.2226820E-01 6 6.5526559E+00 3.7298458E-01 -8.7029150E-02 7 2.9003809E+00 1.2622209E-01 1.6536838E-01 8 1.2182132E+00 6.7962163E-03 4.4356038E-01 9 4.6648382E-01 1.3374219E-03 4.4355240E-01 10 1.5677540E-01 -3.7664066E-05 1.9806264E-01 ** Pd 106 ** Large component functions ------------------------- 1s 2s 3s 4s 5s 1 4.2250137E+07 3.4800701E-05 -1.1773130E-05 5.0984568E-06 -2.1046748E-06 5.0987379E-07 2 7.0886856E+06 1.1943938E-04 -4.0513444E-05 1.7542621E-05 -7.2477726E-06 1.7560597E-06 3 1.5971121E+06 3.6175500E-04 -1.2326577E-04 5.3449543E-05 -2.2059067E-05 5.3437858E-06 4 4.2493240E+05 1.0492955E-03 -3.5923759E-04 1.5569034E-04 -6.4380395E-05 1.5600859E-05 5 1.2830722E+05 3.0086875E-03 -1.0376209E-03 4.5092761E-04 -1.8600007E-04 4.5054526E-05 6 4.2780532E+04 8.5066202E-03 -2.9528138E-03 1.2812912E-03 -5.3060978E-04 1.2860861E-04 7 1.5468713E+04 2.3296532E-02 -8.2056637E-03 3.5795713E-03 -1.4754585E-03 3.5735885E-04 8 5.9822261E+03 6.0142291E-02 -2.1671665E-02 9.4449688E-03 -3.9214444E-03 9.5086179E-04 9 2.4475750E+03 1.3941248E-01 -5.3246067E-02 2.3530108E-02 -9.7021358E-03 2.3500177E-03 10 1.0499238E+03 2.6691373E-01 -1.1400279E-01 5.0858179E-02 -2.1280767E-02 5.1665011E-03 11 4.6850207E+02 3.5596608E-01 -1.9367861E-01 9.0683858E-02 -3.7588217E-02 9.1121947E-03 12 2.1446276E+02 2.4409348E-01 -1.6748720E-01 8.0984123E-02 -3.5261231E-02 8.6150277E-03 13 9.1255804E+01 4.4874918E-02 2.1424835E-01 -1.3123668E-01 6.1219177E-02 -1.5124089E-02 14 4.4856634E+01 -4.9451589E-03 5.9885770E-01 -5.2569234E-01 2.4142587E-01 -5.9479377E-02 15 2.2050180E+01 2.4517402E-03 3.3581818E-01 -3.1777742E-01 1.7700309E-01 -4.5172157E-02 16 9.4214589E+00 -1.1695081E-03 3.2604746E-02 6.7882110E-01 -5.1366518E-01 1.3834818E-01 17 4.5974026E+00 5.2287571E-04 -2.5688857E-03 6.3583089E-01 -6.5964288E-01 1.8577745E-01 18 1.5799083E+00 -1.7500902E-04 6.0220675E-04 4.8087073E-02 7.7999747E-01 -2.9977430E-01 19 6.6946587E-01 6.9150899E-05 -2.9931173E-04 -5.5022855E-03 6.1765163E-01 -3.0745397E-01 20 1.0203185E-01 -1.5108669E-05 5.5764930E-05 1.1779543E-03 2.0808126E-02 6.2784199E-01 21 3.7742291E-02 6.8971523E-06 -2.5165617E-05 -5.2693856E-04 -6.0752026E-03 5.1993704E-01 2p 3p 4p 5p 1 4.3404148E+04 3.9940181E-04 -1.7981316E-04 6.9852891E-05 -1.6725282E-05 2 7.1285296E+03 2.5732173E-03 -1.1672078E-03 4.5600965E-04 -1.0866214E-04 3 1.8590859E+03 1.4641953E-02 -6.6823376E-03 2.5964022E-03 -6.2348315E-04 4 6.1479019E+02 6.4332104E-02 -3.0152973E-02 1.1865450E-02 -2.8255105E-03 5 2.3415757E+02 2.0221670E-01 -9.8712526E-02 3.8760055E-02 -9.3409804E-03 6 9.7217993E+01 4.0181285E-01 -2.1200192E-01 8.5740062E-02 -2.0385892E-02 7 4.2527720E+01 3.8736989E-01 -1.8016774E-01 6.7366852E-02 -1.6646679E-02 8 1.8478880E+01 1.1066759E-01 2.6600877E-01 -1.3960216E-01 3.6650725E-02 9 8.4296008E+00 -8.0426994E-05 6.1097785E-01 -3.8005657E-01 9.2116105E-02 10 3.9009725E+00 2.3645283E-03 2.6082398E-01 -1.6932391E-02 5.7913889E-03 11 1.6338228E+00 -9.4561875E-04 1.4437429E-02 6.4736792E-01 -2.2918816E-01 12 6.4708907E-01 2.5949285E-04 9.4037797E-04 4.6753855E-01 -9.0038885E-02 13 1.2988293E-01 -6.9043526E-05 -2.3296671E-05 3.6402482E-02 5.7371445E-01 14 3.9540680E-02 2.6028121E-05 1.0508098E-05 -7.1015852E-03 5.4943450E-01 3d 4d 1 6.9281336E+02 2.4702883E-03 -7.5696157E-04 2 2.0191142E+02 2.0748305E-02 -6.3485723E-03 3 7.5842365E+01 9.3612660E-02 -2.9197821E-02 4 3.1980643E+01 2.5761152E-01 -8.0590764E-02 5 1.4164541E+01 4.1778228E-01 -1.2765994E-01 6 6.3798342E+00 3.5347057E-01 -6.5616164E-02 7 2.7449534E+00 9.7119434E-02 2.2159120E-01 8 1.1395386E+00 1.4468798E-03 4.5635238E-01 9 4.2539560E-01 1.2592949E-03 4.1340590E-01 10 1.3646219E-01 -3.0266354E-04 1.7272709E-01 Pseudo-large component functions -------------------------------- 1s 2s 3s 4s 5s 1 4.2250137E+07 2.0035962E-06 -6.7668331E-07 2.9314090E-07 -1.2089654E-07 2.9283811E-08 2 7.0886856E+06 1.8311140E-05 -6.1794214E-06 2.6723546E-06 -1.1048991E-06 2.6773597E-07 3 1.5971121E+06 1.0103346E-04 -3.4143762E-05 1.4796734E-05 -6.0997596E-06 1.4773950E-06 4 4.2493240E+05 4.5999561E-04 -1.5536346E-04 6.7169644E-05 -2.7789852E-05 6.7346463E-06 5 1.2830722E+05 1.8017765E-03 -6.1061359E-04 2.6484347E-04 -1.0910966E-04 2.6424363E-05 6 4.2780532E+04 6.2795130E-03 -2.1334687E-03 9.2267884E-04 -3.8211808E-04 9.2617723E-05 7 1.5468713E+04 1.9654651E-02 -6.7641150E-03 2.9421910E-03 -1.2114314E-03 2.9336094E-04 8 5.9822261E+03 5.5145631E-02 -1.9398859E-02 8.4252837E-03 -3.4970760E-03 8.4792085E-04 9 2.4475750E+03 1.3440932E-01 -5.0147912E-02 2.2094857E-02 -9.1027848E-03 2.2045557E-03 10 1.0499238E+03 2.6502090E-01 -1.1072095E-01 4.9251756E-02 -2.0600617E-02 5.0010553E-03 11 4.6850207E+02 3.5934344E-01 -1.9159715E-01 8.9498933E-02 -3.7077643E-02 8.9876916E-03 12 2.1446276E+02 2.4852426E-01 -1.6812430E-01 8.1265391E-02 -3.5373824E-02 8.6420910E-03 13 9.1255804E+01 4.5856465E-02 2.1247999E-01 -1.2957154E-01 6.0428208E-02 -1.4927986E-02 14 4.4856634E+01 -5.0624106E-03 5.9969052E-01 -5.2489875E-01 2.4094996E-01 -5.9358322E-02 15 2.2050180E+01 2.5053188E-03 3.3663718E-01 -3.1822573E-01 1.7723666E-01 -4.5229855E-02 16 9.4214589E+00 -1.1931315E-03 3.2793336E-02 6.7852638E-01 -5.1316484E-01 1.3820081E-01 17 4.5974026E+00 5.3311663E-04 -2.6413391E-03 6.3625858E-01 -6.5978812E-01 1.8581797E-01 18 1.5799083E+00 -1.7776035E-04 6.4138966E-04 4.8069416E-02 7.7998082E-01 -2.9974027E-01 19 6.6946587E-01 6.9882540E-05 -3.2248597E-04 -5.4783133E-03 6.1770545E-01 -3.0746319E-01 20 1.0203185E-01 -1.4971873E-05 6.7836193E-05 1.1638467E-03 2.0808923E-02 6.2783996E-01 21 3.7742291E-02 6.6698934E-06 -3.4532890E-05 -5.1566066E-04 -6.0750826E-03 5.1993963E-01 2p 3p 4p 5p 1 4.3404148E+04 1.3143491E-04 -5.9172128E-05 2.2928187E-05 -5.5059091E-06 2 7.1285296E+03 1.8033743E-03 -8.1774176E-04 3.1981121E-04 -7.6110119E-05 3 1.8590859E+03 1.2947397E-02 -5.8971503E-03 2.2895251E-03 -5.5003540E-04 4 6.1479019E+02 6.1438763E-02 -2.8743863E-02 1.1309230E-02 -2.6923987E-03 5 2.3415757E+02 1.9872439E-01 -9.6847838E-02 3.8013933E-02 -9.1616779E-03 6 9.7217993E+01 3.9935291E-01 -2.1048321E-01 8.5115005E-02 -2.0235803E-02 7 4.2527720E+01 3.8641296E-01 -1.7981729E-01 6.7260856E-02 -1.6621807E-02 8 1.8478880E+01 1.0966140E-01 2.6579495E-01 -1.3938788E-01 3.6593165E-02 9 8.4296008E+00 -9.9990635E-04 6.1111555E-01 -3.7998744E-01 9.2096352E-02 10 3.9009725E+00 1.4598518E-03 2.6101083E-01 -1.7082252E-02 5.8341049E-03 11 1.6338228E+00 -1.6178657E-03 1.4492543E-02 6.4728489E-01 -2.2915591E-01 12 6.4708907E-01 -5.7486595E-04 1.0009377E-03 4.6747079E-01 -9.0025498E-02 13 1.2988293E-01 -8.2636594E-04 3.1549931E-05 3.6319605E-02 5.7372624E-01 14 3.9540680E-02 -3.5758978E-04 3.8210237E-05 -7.1435977E-03 5.4944233E-01 3d 4d 1 6.9281336E+02 2.2905979E-03 -7.0191994E-04 2 2.0191142E+02 2.0296944E-02 -6.2087310E-03 3 7.5842365E+01 9.2824959E-02 -2.8947296E-02 4 3.1980643E+01 2.5682362E-01 -8.0334741E-02 5 1.4164541E+01 4.1728380E-01 -1.2750275E-01 6 6.3798342E+00 3.5331674E-01 -6.5608376E-02 7 2.7449534E+00 9.7019518E-02 2.2153957E-01 8 1.1395386E+00 1.3867784E-03 4.5632368E-01 9 4.2539560E-01 1.2199916E-03 4.1339535E-01 10 1.3646219E-01 -3.2091680E-04 1.7272210E-01 Foldy-Wouthuysen functions -------------------------- 1s 2s 3s 4s 5s 1 4.2250137E+07 9.4908553E-05 -3.2511372E-05 1.4111626E-05 -5.8211293E-06 1.4096476E-06 2 7.0886856E+06 2.8711511E-04 -9.8262094E-05 4.2479323E-05 -1.7586692E-05 4.2623048E-06 3 1.5971121E+06 7.3319149E-04 -2.5197146E-04 1.0957382E-04 -4.5156761E-05 1.0933757E-05 4 4.2493240E+05 1.7642862E-03 -6.0537277E-04 2.6188440E-04 -1.0849755E-04 2.6302546E-05 5 1.2830722E+05 4.2377803E-03 -1.4623412E-03 6.3734201E-04 -2.6249861E-04 6.3551875E-05 6 4.2780532E+04 1.0431330E-02 -3.6041336E-03 1.5622161E-03 -6.4761233E-04 1.5702294E-04 7 1.5468713E+04 2.6209428E-02 -9.1960528E-03 4.0177406E-03 -1.6554369E-03 4.0102450E-04 8 5.9822261E+03 6.4434758E-02 -2.3131696E-02 1.0076898E-02 -4.1845122E-03 1.0146020E-03 9 2.4475750E+03 1.4515986E-01 -5.5405890E-02 2.4486003E-02 -1.0086903E-02 2.4427583E-03 10 1.0499238E+03 2.7252743E-01 -1.1658403E-01 5.2056673E-02 -2.1801642E-02 5.2937950E-03 11 4.6850207E+02 3.5822860E-01 -1.9595891E-01 9.1857510E-02 -3.8063614E-02 9.2271724E-03 12 2.1446276E+02 2.4276318E-01 -1.6739681E-01 8.1036548E-02 -3.5323586E-02 8.6323819E-03 13 9.1255804E+01 4.3977877E-02 2.1605815E-01 -1.3215950E-01 6.1654527E-02 -1.5232378E-02 14 4.4856634E+01 -5.1465221E-03 5.9979967E-01 -5.2689999E-01 2.4199217E-01 -5.9620227E-02 15 2.2050180E+01 2.4586756E-03 3.3538540E-01 -3.1736130E-01 1.7687991E-01 -4.5144056E-02 16 9.4214589E+00 -1.1881747E-03 3.2515253E-02 6.7929409E-01 -5.1406625E-01 1.3845859E-01 17 4.5974026E+00 5.2633480E-04 -2.6106478E-03 6.3578403E-01 -6.5961865E-01 1.8577272E-01 18 1.5799083E+00 -1.7843136E-04 6.1373821E-04 4.8034878E-02 7.8011545E-01 -2.9981647E-01 19 6.6946587E-01 6.9083645E-05 -3.0401413E-04 -5.4998238E-03 6.1762996E-01 -3.0744723E-01 20 1.0203185E-01 -1.5178024E-05 5.5838495E-05 1.1787471E-03 2.0805695E-02 6.2784628E-01 21 3.7742291E-02 6.8790229E-06 -2.5280472E-05 -5.2734638E-04 -6.0755214E-03 5.1993623E-01 2p 3p 4p 5p 1 4.3404148E+04 4.3668558E-04 -1.9583930E-04 7.5764702E-05 -1.8218699E-05 2 7.1285296E+03 2.7148081E-03 -1.2297600E-03 4.8123099E-04 -1.1441545E-04 3 1.8590859E+03 1.5065795E-02 -6.8684588E-03 2.6665062E-03 -6.4088392E-04 4 6.1479019E+02 6.5335244E-02 -3.0618305E-02 1.2051310E-02 -2.8687264E-03 5 2.3415757E+02 2.0376015E-01 -9.9480335E-02 3.9058687E-02 -9.4145350E-03 6 9.7217993E+01 4.0303866E-01 -2.1275458E-01 8.6061095E-02 -2.0460601E-02 7 4.2527720E+01 3.8747549E-01 -1.8022785E-01 6.7381810E-02 -1.6653615E-02 8 1.8478880E+01 1.1049002E-01 2.6642777E-01 -1.3979495E-01 3.6702285E-02 9 8.4296008E+00 -1.0082258E-04 6.1113234E-01 -3.8019573E-01 9.2148565E-02 10 3.9009725E+00 2.3625019E-03 2.6076672E-01 -1.6855185E-02 5.7741860E-03 11 1.6338228E+00 -9.4558818E-04 1.4429746E-02 6.4741272E-01 -2.2920722E-01 12 6.4708907E-01 2.5936837E-04 9.3881110E-04 4.6753354E-01 -9.0034691E-02 13 1.2988293E-01 -6.9040806E-05 -2.3007054E-05 3.6400960E-02 5.7371775E-01 14 3.9540680E-02 2.6019783E-05 1.0419512E-05 -7.1015774E-03 5.4943435E-01 3d 4d 1 6.9281336E+02 2.5119167E-03 -7.6964199E-04 2 2.0191142E+02 2.0899177E-02 -6.3944985E-03 3 7.5842365E+01 9.3925256E-02 -2.9296102E-02 4 3.1980643E+01 2.5798741E-01 -8.0710285E-02 5 1.4164541E+01 4.1800351E-01 -1.2773206E-01 6 6.3798342E+00 3.5350272E-01 -6.5613171E-02 7 2.7449534E+00 9.7102769E-02 2.2163340E-01 8 1.1395386E+00 1.4459794E-03 4.5636983E-01 9 4.2539560E-01 1.2590460E-03 4.1340882E-01 10 1.3646219E-01 -3.0260397E-04 1.7272673E-01 ** Ag 107 ** Large component functions ------------------------- 1s 2s 3s 4s 5s 1 4.3262771E+07 3.6872452E-05 -1.2522950E-05 5.4522284E-06 -2.2801479E-06 5.5287538E-07 2 7.3438521E+06 1.2537145E-04 -4.2694068E-05 1.8586046E-05 -7.7789902E-06 1.8861721E-06 3 1.6664164E+06 3.7598078E-04 -1.2862796E-04 5.6074314E-05 -2.3445818E-05 5.6852546E-06 4 4.4518126E+05 1.0792611E-03 -3.7103981E-04 1.6167527E-04 -6.7724830E-05 1.6421587E-05 5 1.3472950E+05 3.0647493E-03 -1.0615665E-03 4.6383669E-04 -1.9384730E-04 4.7008965E-05 6 4.4971716E+04 8.5951370E-03 -2.9972984E-03 1.3077266E-03 -5.4857831E-04 1.3302011E-04 7 1.6267208E+04 2.3396405E-02 -8.2797597E-03 3.6317415E-03 -1.5168302E-03 3.6789065E-04 8 6.2906215E+03 6.0152389E-02 -2.1777822E-02 9.5437335E-03 -4.0136240E-03 9.7334693E-04 9 2.5729316E+03 1.3911183E-01 -5.3362860E-02 2.3712163E-02 -9.9082333E-03 2.4041846E-03 10 1.1032008E+03 2.6617812E-01 -1.1409238E-01 5.1179528E-02 -2.1690412E-02 5.2639369E-03 11 4.9203286E+02 3.5545731E-01 -1.9369381E-01 9.1190640E-02 -3.8319552E-02 9.3156214E-03 12 2.2515578E+02 2.4466966E-01 -1.6749323E-01 8.1383812E-02 -3.5865792E-02 8.7275038E-03 13 9.5878672E+01 4.5339678E-02 2.1421709E-01 -1.3241765E-01 6.2557896E-02 -1.5347412E-02 14 4.7137542E+01 -4.9887478E-03 5.9855486E-01 -5.2931304E-01 2.4706555E-01 -6.1256657E-02 15 2.3194863E+01 2.4889020E-03 3.3587639E-01 -3.1888903E-01 1.8039984E-01 -4.5575152E-02 16 9.9456397E+00 -1.1972792E-03 3.2716922E-02 6.8462554E-01 -5.3042555E-01 1.4213266E-01 17 4.8766381E+00 5.4005579E-04 -2.6446763E-03 6.3258061E-01 -6.6636638E-01 1.9008465E-01 18 1.6983041E+00 -1.7962910E-04 6.0033725E-04 4.8160991E-02 8.0252641E-01 -3.1121710E-01 19 7.1653300E-01 6.9310192E-05 -2.9470178E-04 -5.1722483E-03 6.0840664E-01 -3.0397364E-01 20 1.0656102E-01 -1.4739163E-05 5.4038812E-05 1.0739363E-03 1.6953797E-02 6.8396899E-01 21 3.8874370E-02 6.7038873E-06 -2.3500905E-05 -4.9638749E-04 -3.9669232E-03 4.6521348E-01 2p 3p 4p 5p 1 4.9328670E+04 3.8219556E-04 -1.7326712E-04 6.8464533E-05 -1.4166129E-05 2 8.0112579E+03 2.3998056E-03 -1.0955746E-03 4.3534988E-04 -8.9782229E-05 3 2.0672338E+03 1.3604454E-02 -6.2519208E-03 2.4705605E-03 -5.1232769E-04 4 6.7872678E+02 6.0277262E-02 -2.8399152E-02 1.1366173E-02 -2.3432924E-03 5 2.5729010E+02 1.9272720E-01 -9.4556282E-02 3.7754142E-02 -7.8523042E-03 6 1.0652718E+02 3.9350964E-01 -2.0817538E-01 8.5609408E-02 -1.7647163E-02 7 4.6543086E+01 3.9744154E-01 -1.9230795E-01 7.4046953E-02 -1.5646574E-02 8 2.0283321E+01 1.2264033E-01 2.3890038E-01 -1.2868953E-01 2.8880190E-02 9 9.2701804E+00 5.8512436E-04 6.1292997E-01 -3.8776869E-01 8.2370272E-02 10 4.3102178E+00 2.5880815E-03 2.8148358E-01 -3.9709460E-02 8.1544132E-03 11 1.7847897E+00 -1.0354432E-03 1.7783608E-02 6.5895619E-01 -1.9322149E-01 12 7.0250163E-01 2.8544168E-04 5.8363094E-04 4.6916265E-01 -9.5684706E-02 13 1.3758511E-01 -7.3987442E-05 3.6679703E-05 3.1462095E-02 5.0789689E-01 14 4.1247105E-02 2.7734764E-05 -1.0256081E-05 -6.7492143E-03 6.1549454E-01 3d 4d 1 7.9209849E+02 2.1156607E-03 -6.8732774E-04 2 2.3019761E+02 1.8021409E-02 -5.8696952E-03 3 8.6582096E+01 8.3321525E-02 -2.7536644E-02 4 3.6624121E+01 2.3776850E-01 -7.9372109E-02 5 1.6344231E+01 4.0509882E-01 -1.3188619E-01 6 7.4406801E+00 3.7114511E-01 -8.6746429E-02 7 3.3002357E+00 1.1950046E-01 1.8938670E-01 8 1.4101835E+00 5.2370542E-03 4.5342908E-01 9 5.4902325E-01 1.3465751E-03 4.2624715E-01 10 1.8741003E-01 -1.7419777E-04 1.7641788E-01 Pseudo-large component functions -------------------------------- 1s 2s 3s 4s 5s 1 4.3262771E+07 2.0498084E-06 -6.9499315E-07 3.0268749E-07 -1.2647011E-07 3.0666367E-08 2 7.3438521E+06 1.8609718E-05 -6.3047355E-06 2.7411266E-06 -1.1480664E-06 2.7835696E-07 3 1.6664164E+06 1.0189893E-04 -3.4570932E-05 1.5062162E-05 -6.2907677E-06 1.5254078E-06 4 4.4518126E+05 4.6166967E-04 -1.5654201E-04 6.8041416E-05 -2.8515520E-05 6.9136721E-06 5 1.3472950E+05 1.8023373E-03 -6.1320283E-04 2.6739312E-04 -1.1161216E-04 2.7065114E-05 6 4.4971716E+04 6.2683851E-03 -2.1380904E-03 9.2963565E-04 -3.8997479E-04 9.4550463E-05 7 1.6267208E+04 1.9593565E-02 -6.7692491E-03 2.9602419E-03 -1.2350062E-03 2.9951111E-04 8 6.2906215E+03 5.4933785E-02 -1.9397043E-02 8.4697656E-03 -3.5607964E-03 8.6342797E-04 9 2.5729316E+03 1.3387790E-01 -5.0117039E-02 2.2200178E-02 -9.2684168E-03 2.2487260E-03 10 1.1032008E+03 2.6417810E-01 -1.1065158E-01 4.9485894E-02 -2.0963801E-02 5.0870981E-03 11 4.9203286E+02 3.5896634E-01 -1.9150865E-01 8.9939773E-02 -3.7773014E-02 9.1820976E-03 12 2.2515578E+02 2.4931493E-01 -1.6816033E-01 8.1680729E-02 -3.5986526E-02 8.7567302E-03 13 9.5878672E+01 4.6379290E-02 2.1235884E-01 -1.3065410E-01 6.1707759E-02 -1.5136662E-02 14 4.7137542E+01 -5.1126847E-03 5.9942828E-01 -5.2847061E-01 2.4655071E-01 -6.1124989E-02 15 2.3194863E+01 2.5460778E-03 3.3673721E-01 -3.1936960E-01 1.8065554E-01 -4.5638935E-02 16 9.9456397E+00 -1.2227579E-03 3.2917702E-02 6.8431075E-01 -5.2987777E-01 1.4197123E-01 17 4.8766381E+00 5.5121697E-04 -2.7224973E-03 6.3303968E-01 -6.6653149E-01 1.9013048E-01 18 1.6983041E+00 -1.8264505E-04 6.4197117E-04 4.8141195E-02 8.0251124E-01 -3.1118032E-01 19 7.1653300E-01 7.0106480E-05 -3.1885671E-04 -5.1465309E-03 6.0846400E-01 -3.0398331E-01 20 1.0656102E-01 -1.4608958E-05 6.6383220E-05 1.0591789E-03 1.6954786E-02 6.8396691E-01 21 3.8874370E-02 6.4775890E-06 -3.3106598E-05 -4.8457205E-04 -3.9670539E-03 4.6521633E-01 2p 3p 4p 5p 1 4.9328670E+04 1.1729927E-04 -5.3197585E-05 2.0963806E-05 -4.3472152E-06 2 8.0112579E+03 1.6294753E-03 -7.4365757E-04 2.9585662E-04 -6.0953720E-05 3 2.0672338E+03 1.1889399E-02 -5.4527643E-03 2.1529274E-03 -4.4661029E-04 4 6.7872678E+02 5.7307795E-02 -2.6947539E-02 1.0783534E-02 -2.2227195E-03 5 2.5729010E+02 1.8906275E-01 -9.2596442E-02 3.6956874E-02 -7.6867394E-03 6 1.0652718E+02 3.9083954E-01 -2.0652607E-01 8.4918933E-02 -1.7503720E-02 7 4.6543086E+01 3.9639847E-01 -1.9187942E-01 7.3905178E-02 -1.5617676E-02 8 2.0283321E+01 1.2160913E-01 2.3866510E-01 -1.2845638E-01 2.8826550E-02 9 9.2701804E+00 -3.8649645E-04 6.1305760E-01 -3.8767763E-01 8.2347770E-02 10 4.3102178E+00 1.6292471E-03 2.8169047E-01 -3.9872453E-02 8.1944012E-03 11 1.7847897E+00 -1.7625051E-03 1.7844022E-02 6.5886227E-01 -1.9319073E-01 12 7.0250163E-01 -6.0008733E-04 6.4674884E-04 4.6908964E-01 -9.5671263E-02 13 1.3758511E-01 -8.8978366E-04 9.4835104E-05 3.1369936E-02 5.0790799E-01 14 4.1247105E-02 -3.6814055E-04 1.7886725E-05 -6.7936803E-03 6.1550154E-01 3d 4d 1 7.9209849E+02 1.9431750E-03 -6.3121394E-04 2 2.3019761E+02 1.7575813E-02 -5.7230327E-03 3 8.6582096E+01 8.2517671E-02 -2.7265488E-02 4 3.6624121E+01 2.3692123E-01 -7.9078777E-02 5 1.6344231E+01 4.0453290E-01 -1.3169507E-01 6 7.4406801E+00 3.7095995E-01 -8.6723634E-02 7 3.3002357E+00 1.1939583E-01 1.8932825E-01 8 1.4101835E+00 5.1666462E-03 4.5339278E-01 9 5.4902325E-01 1.3020547E-03 4.2623468E-01 10 1.8741003E-01 -1.9786843E-04 1.7641152E-01 Foldy-Wouthuysen functions -------------------------- 1s 2s 3s 4s 5s 1 4.3262771E+07 1.0054795E-04 -3.4583420E-05 1.5090990E-05 -6.3070913E-06 1.5294605E-06 2 7.3438521E+06 3.0198555E-04 -1.0378765E-04 4.5114124E-05 -1.8919413E-05 4.5857489E-06 3 1.6664164E+06 7.6599101E-04 -2.6434248E-04 1.1556014E-04 -4.8253684E-05 1.1703545E-05 4 4.4518126E+05 1.8298835E-03 -6.3072474E-04 2.7434610E-04 -1.1512877E-04 2.7906444E-05 5 1.3472950E+05 4.3574406E-03 -1.5106282E-03 6.6189505E-04 -2.7623153E-04 6.7000308E-05 6 4.4971716E+04 1.0622121E-02 -3.6881970E-03 1.6075024E-03 -6.7498449E-04 1.6362827E-04 7 1.6267208E+04 2.6455576E-02 -9.3275405E-03 4.0975430E-03 -1.7107921E-03 4.1520283E-04 8 6.2906215E+03 6.4634687E-02 -2.3314078E-02 1.0212960E-02 -4.2958544E-03 1.0414271E-03 9 2.5729316E+03 1.4509382E-01 -5.5622457E-02 2.4717508E-02 -1.0318254E-02 2.5036589E-03 10 1.1032008E+03 2.7203472E-01 -1.1679252E-01 5.2440179E-02 -2.2245314E-02 5.3988491E-03 11 4.9203286E+02 3.5785057E-01 -1.9608211E-01 9.2426455E-02 -3.8827496E-02 9.4396104E-03 12 2.2515578E+02 2.4330075E-01 -1.6740815E-01 8.1443595E-02 -3.5933457E-02 8.7452239E-03 13 9.5878672E+01 4.4395392E-02 2.1611526E-01 -1.3339343E-01 6.3022840E-02 -1.5461777E-02 14 4.7137542E+01 -5.1999101E-03 5.9954575E-01 -5.3059101E-01 2.4767696E-01 -6.1410760E-02 15 2.3194863E+01 2.4956506E-03 3.3542263E-01 -3.1844816E-01 1.8026652E-01 -4.5543123E-02 16 9.9456397E+00 -1.2168501E-03 3.2622285E-02 6.8513048E-01 -5.3086384E-01 1.4225221E-01 17 4.8766381E+00 5.4365562E-04 -2.6891444E-03 6.3252889E-01 -6.6633620E-01 1.9007967E-01 18 1.6983041E+00 -1.8322171E-04 6.1257361E-04 4.8105379E-02 8.0265482E-01 -3.1126394E-01 19 7.1653300E-01 6.9211267E-05 -2.9962172E-04 -5.1697330E-03 6.0838265E-01 -3.0396581E-01 20 1.0656102E-01 -1.4802884E-05 5.4112321E-05 1.0747207E-03 1.6951366E-02 6.8397364E-01 21 3.8874370E-02 6.6811448E-06 -2.3615292E-05 -4.9680526E-04 -3.9672978E-03 4.6521251E-01 2p 3p 4p 5p 1 4.9328670E+04 4.1864906E-04 -1.8908522E-04 7.4399382E-05 -1.5439854E-05 2 8.0112579E+03 2.5412444E-03 -1.1584016E-03 4.6111574E-04 -9.4941790E-05 3 2.0672338E+03 1.4028029E-02 -6.4395291E-03 2.5424157E-03 -5.2756801E-04 4 6.7872678E+02 6.1291079E-02 -2.8870995E-02 1.1557865E-02 -2.3821678E-03 5 2.5729010E+02 1.9432946E-01 -9.5356109E-02 3.8070366E-02 -7.9190674E-03 6 1.0652718E+02 3.9484258E-01 -2.0898674E-01 8.5960549E-02 -1.7718605E-02 7 4.6543086E+01 3.9760458E-01 -1.9241749E-01 7.4083381E-02 -1.5656409E-02 8 2.0283321E+01 1.2244307E-01 2.3934327E-01 -1.2889499E-01 2.8926623E-02 9 9.2701804E+00 5.6127030E-04 6.1311407E-01 -3.8793201E-01 8.2404496E-02 10 4.3102178E+00 2.5849020E-03 2.8142285E-01 -3.9626908E-02 8.1376379E-03 11 1.7847897E+00 -1.0350554E-03 1.7773851E-02 6.5900797E-01 -1.9323899E-01 12 7.0250163E-01 2.8519969E-04 5.8194311E-04 4.6915664E-01 -9.5681552E-02 13 1.3758511E-01 -7.3966160E-05 3.7000175E-05 3.1460536E-02 5.0790012E-01 14 4.1247105E-02 2.7718533E-05 -1.0353706E-05 -6.7492268E-03 6.1549455E-01 3d 4d 1 7.9209849E+02 2.1548804E-03 -6.9989938E-04 2 2.3019761E+02 1.8166972E-02 -5.9170214E-03 3 8.6582096E+01 8.3635348E-02 -2.7640754E-02 4 3.6624121E+01 2.3816864E-01 -7.9508412E-02 5 1.6344231E+01 4.0535594E-01 -1.3197405E-01 6 7.4406801E+00 3.7119519E-01 -8.6752539E-02 7 3.3002357E+00 1.1948085E-01 1.8943520E-01 8 1.4101835E+00 5.2352822E-03 4.5345264E-01 9 5.4902325E-01 1.3462094E-03 4.2625114E-01 10 1.8741003E-01 -1.7411609E-04 1.7641731E-01 ** Cd 114 ** Large component functions ------------------------- 1s 2s 3s 4s 5s 1 4.3548972E+07 3.9255171E-05 -1.3384393E-05 5.8569729E-06 -2.4802439E-06 6.1274162E-07 2 7.5326416E+06 1.3190661E-04 -4.5098467E-05 1.9732951E-05 -8.3628119E-06 2.0665498E-06 3 1.7299907E+06 3.9084389E-04 -1.3424673E-04 5.8822758E-05 -2.4905197E-05 6.1522041E-06 4 4.6568758E+05 1.1080451E-03 -3.8253314E-04 1.6754112E-04 -7.1062708E-05 1.7564598E-05 5 1.4163463E+05 3.1101110E-03 -1.0818849E-03 4.7515084E-04 -2.0109042E-04 4.9663962E-05 6 4.7425871E+04 8.6356945E-03 -3.0253781E-03 1.3268679E-03 -5.6358054E-04 1.3935725E-04 7 1.7189049E+04 2.3327517E-02 -8.2926436E-03 3.6563329E-03 -1.5465327E-03 3.8183585E-04 8 6.6551818E+03 5.9662577E-02 -2.1699474E-02 9.5592415E-03 -4.0703876E-03 1.0071588E-03 9 2.7239607E+03 1.3764552E-01 -5.2983508E-02 2.3664631E-02 -1.0014962E-02 2.4721140E-03 10 1.1683615E+03 2.6365364E-01 -1.1324597E-01 5.1055130E-02 -2.1906430E-02 5.4298369E-03 11 5.2112041E+02 3.5449240E-01 -1.9266969E-01 9.1124001E-02 -3.8790531E-02 9.5760840E-03 12 2.3846300E+02 2.4772867E-01 -1.6966695E-01 8.2801985E-02 -3.6907923E-02 9.2355261E-03 13 1.0206411E+02 4.7384153E-02 2.0365337E-01 -1.2639171E-01 6.0545961E-02 -1.5383125E-02 14 5.0257115E+01 -4.9561257E-03 5.9558120E-01 -5.2601671E-01 2.4896358E-01 -6.2353046E-02 15 2.4754918E+01 2.5168841E-03 3.4649101E-01 -3.3517860E-01 1.9111097E-01 -5.0386855E-02 16 1.0606417E+01 -1.2234093E-03 3.5237266E-02 6.7539625E-01 -5.3176224E-01 1.4812691E-01 17 5.2288563E+00 5.6662112E-04 -3.1165481E-03 6.4265831E-01 -6.8706168E-01 1.9654587E-01 18 1.8629696E+00 -1.9642971E-04 7.4852889E-04 5.1954821E-02 7.7565104E-01 -2.9909819E-01 19 8.0317200E-01 7.7617584E-05 -3.5870018E-04 -5.5039259E-03 6.4165432E-01 -3.4331795E-01 20 1.3459660E-01 -1.6850812E-05 6.7285717E-05 1.1766680E-03 1.9983854E-02 5.9780467E-01 21 4.7936628E-02 7.2136426E-06 -2.8133939E-05 -4.9761455E-04 -5.7139589E-03 5.6675860E-01 2p 3p 4p 5p 1 5.5868952E+04 3.6729257E-04 -1.6761857E-04 6.7262098E-05 -1.2350174E-05 2 8.9783553E+03 2.2482628E-03 -1.0326321E-03 4.1668761E-04 -7.6355025E-05 3 2.2925407E+03 1.2684162E-02 -5.8681462E-03 2.3547490E-03 -4.3304489E-04 4 7.4725119E+02 5.6623240E-02 -2.6808134E-02 1.0895070E-02 -1.9964627E-03 5 2.8190439E+02 1.8392331E-01 -9.0686287E-02 3.6762355E-02 -6.7769305E-03 6 1.1638959E+02 3.8514298E-01 -2.0421550E-01 8.5253679E-02 -1.5637667E-02 7 5.0792843E+01 4.0596291E-01 -2.0298409E-01 8.0145988E-02 -1.4911653E-02 8 2.2225736E+01 1.3461296E-01 2.1228835E-01 -1.1738922E-01 2.3124212E-02 9 1.0164330E+01 1.7599933E-03 6.1354698E-01 -3.9410582E-01 7.5142204E-02 10 4.7403972E+00 2.6634055E-03 3.0206204E-01 -6.2012367E-02 1.0245208E-02 11 1.9412109E+00 -1.0680959E-03 2.1140069E-02 6.6943445E-01 -1.6804888E-01 12 7.5979622E-01 2.9289436E-04 2.2944864E-04 4.7019696E-01 -9.8109427E-02 13 1.4550567E-01 -7.4542920E-05 9.5209781E-05 2.7700486E-02 4.6034722E-01 14 4.2914264E-02 2.7901880E-05 -3.4046379E-05 -5.9785632E-03 6.6128098E-01 3d 4d 1 8.9096106E+02 1.8690306E-03 -6.3296056E-04 2 2.5820410E+02 1.6085790E-02 -5.4769486E-03 3 9.7180147E+01 7.5838650E-02 -2.6119027E-02 4 4.1199295E+01 2.2257577E-01 -7.7788677E-02 5 1.8492864E+01 3.9401371E-01 -1.3431910E-01 6 8.4892045E+00 3.8286967E-01 -1.0182725E-01 7 3.8439630E+00 1.3798489E-01 1.6470810E-01 8 1.6748988E+00 8.7662129E-03 4.4860120E-01 9 6.7198647E-01 9.4226799E-04 4.3587991E-01 10 2.3912538E-01 -2.2686659E-04 1.8286337E-01 Pseudo-large component functions -------------------------------- 1s 2s 3s 4s 5s 1 4.3548972E+07 2.1190114E-06 -7.2122514E-07 3.1571457E-07 -1.3357421E-07 3.2989385E-08 2 7.5326416E+06 1.9039610E-05 -6.4757952E-06 2.8298082E-06 -1.2000813E-06 2.9663067E-07 3 1.7299907E+06 1.0297203E-04 -3.5069358E-05 1.5357155E-05 -6.4949031E-06 1.6038576E-06 4 4.6568758E+05 4.6262382E-04 -1.5749053E-04 6.8802163E-05 -2.9195529E-05 7.2178694E-06 5 1.4163463E+05 1.7950773E-03 -6.1307356E-04 2.6869851E-04 -1.1357535E-04 2.8040597E-05 6 4.7425871E+04 6.2168629E-03 -2.1289977E-03 9.3040300E-04 -3.9517510E-04 9.7725398E-05 7 1.7189049E+04 1.9376748E-02 -6.7188657E-03 2.9531489E-03 -1.2476768E-03 3.0796511E-04 8 6.6551818E+03 5.4234362E-02 -1.9219317E-02 8.4347973E-03 -3.5902901E-03 8.8836409E-04 9 2.7239607E+03 1.3217116E-01 -4.9598360E-02 2.2080087E-02 -9.3358932E-03 2.3040490E-03 10 1.1683615E+03 2.6148986E-01 -1.0964177E-01 4.9273140E-02 -2.1132227E-02 5.2376766E-03 11 5.2112041E+02 3.5807485E-01 -1.9035550E-01 8.9796294E-02 -3.8202891E-02 9.4299810E-03 12 2.3846300E+02 2.5262384E-01 -1.7032330E-01 8.3087423E-02 -3.7024530E-02 9.2639231E-03 13 1.0206411E+02 4.8520708E-02 2.0169461E-01 -1.2454914E-01 5.9647014E-02 -1.5155381E-02 14 5.0257115E+01 -5.0850875E-03 5.9643813E-01 -5.2508164E-01 2.4838845E-01 -6.2203781E-02 15 2.4754918E+01 2.5774568E-03 3.4742923E-01 -3.3568253E-01 1.9137909E-01 -5.0454084E-02 16 1.0606417E+01 -1.2507521E-03 3.5453177E-02 6.7504156E-01 -5.3115805E-01 1.4794406E-01 17 5.2288563E+00 5.7893988E-04 -3.1983295E-03 6.4315575E-01 -6.8724208E-01 1.9659729E-01 18 1.8629696E+00 -1.9994207E-04 7.9286051E-04 5.1933168E-02 7.7563094E-01 -2.9905674E-01 19 8.0317200E-01 7.8602594E-05 -3.8460117E-04 -5.4745954E-03 6.4171803E-01 -3.4332736E-01 20 1.3459660E-01 -1.6741444E-05 8.0282594E-05 1.1601140E-03 1.9986390E-02 5.9780161E-01 21 4.7936628E-02 6.9841936E-06 -3.7840766E-05 -4.8485397E-04 -5.7149595E-03 5.6676217E-01 2p 3p 4p 5p 1 5.5868952E+04 1.0516981E-04 -4.8036485E-05 1.9221936E-05 -3.5346488E-06 2 8.9783553E+03 1.4773021E-03 -6.7828762E-04 2.7406326E-04 -5.0185121E-05 3 2.2925407E+03 1.0948349E-02 -5.0549478E-03 2.0265729E-03 -3.7277616E-04 4 7.4725119E+02 5.3578120E-02 -2.5314158E-02 1.0286309E-02 -1.8846091E-03 5 2.8190439E+02 1.8008682E-01 -8.8630979E-02 3.5913646E-02 -6.6205373E-03 6 1.1638959E+02 3.8225738E-01 -2.0243309E-01 8.4496008E-02 -1.5497861E-02 7 5.0792843E+01 4.0482591E-01 -2.0247084E-01 7.9964414E-02 -1.4878689E-02 8 2.2225736E+01 1.3355859E-01 2.1203360E-01 -1.1713841E-01 2.3073416E-02 9 1.0164330E+01 7.3229721E-04 6.1366115E-01 -3.9398969E-01 7.5116787E-02 10 4.7403972E+00 1.6486475E-03 3.0229046E-01 -6.2188974E-02 1.0283498E-02 11 1.9412109E+00 -1.8522370E-03 2.1205857E-02 6.6932913E-01 -1.6801885E-01 12 7.5979622E-01 -6.4438035E-04 2.9515771E-04 4.7011856E-01 -9.8095845E-02 13 1.4550567E-01 -9.5035258E-04 1.5659733E-04 2.7598656E-02 4.6035797E-01 14 4.2914264E-02 -3.8127204E-04 -5.3751946E-06 -6.0256364E-03 6.6128738E-01 3d 4d 1 8.9096106E+02 1.7007855E-03 -5.7583493E-04 2 2.5820410E+02 1.5641221E-02 -5.3241929E-03 3 9.7180147E+01 7.5015200E-02 -2.5829381E-02 4 4.1199295E+01 2.2167151E-01 -7.7461188E-02 5 1.8492864E+01 3.9338332E-01 -1.3409543E-01 6 8.4892045E+00 3.8265246E-01 -1.0178956E-01 7 3.8439630E+00 1.3787499E-01 1.6464338E-01 8 1.6748988E+00 8.6862755E-03 4.4855720E-01 9 6.7198647E-01 8.9281018E-04 4.3586546E-01 10 2.3912538E-01 -2.5588788E-04 1.8285559E-01 Foldy-Wouthuysen functions -------------------------- 1s 2s 3s 4s 5s 1 4.3548972E+07 1.0694941E-04 -3.6934598E-05 1.6198204E-05 -6.8560519E-06 1.6922715E-06 2 7.5326416E+06 3.1810507E-04 -1.0978948E-04 4.7973875E-05 -2.0368300E-05 5.0379999E-06 3 1.7299907E+06 7.9977856E-04 -2.7714353E-04 1.2175938E-04 -5.1493637E-05 1.2704411E-05 4 4.6568758E+05 1.8935489E-03 -6.5561758E-04 2.8667208E-04 -1.2178960E-04 3.0138859E-05 5 1.4163463E+05 4.4636365E-03 -1.5544951E-03 6.8453501E-04 -2.8934750E-04 7.1370942E-05 6 4.7425871E+04 1.0759499E-02 -3.7544010E-03 1.6450156E-03 -6.9931390E-04 1.7309069E-04 7 1.7189049E+04 2.6523301E-02 -9.3949690E-03 4.1485691E-03 -1.7542459E-03 4.3299439E-04 8 6.6551818E+03 6.4318780E-02 -2.3307197E-02 1.0263820E-02 -4.3710570E-03 1.0818626E-03 9 2.7239607E+03 1.4384636E-01 -5.5334547E-02 2.4716391E-02 -1.0450003E-02 2.5784371E-03 10 1.1683615E+03 2.6976719E-01 -1.1606422E-01 5.2376931E-02 -2.2494587E-02 5.5772768E-03 11 5.2112041E+02 3.5707825E-01 -1.9517366E-01 9.2422154E-02 -3.9331955E-02 9.7086629E-03 12 2.3846300E+02 2.4634901E-01 -1.6963531E-01 8.2894381E-02 -3.6991982E-02 9.2600903E-03 13 1.0206411E+02 4.6367706E-02 2.0562175E-01 -1.2740042E-01 6.1031586E-02 -1.5507747E-02 14 5.0257115E+01 -5.1796096E-03 5.9666629E-01 -5.2738689E-01 2.4962976E-01 -6.2520825E-02 15 2.4754918E+01 2.5214539E-03 3.4602233E-01 -3.3473873E-01 1.9098017E-01 -5.0358044E-02 16 1.0606417E+01 -1.2434958E-03 3.5130580E-02 6.7594677E-01 -5.3223943E-01 1.4826241E-01 17 5.2288563E+00 5.7014734E-04 -3.1648954E-03 6.4260622E-01 -6.8703555E-01 1.9654017E-01 18 1.8629696E+00 -2.0027987E-04 7.6234974E-04 5.1893001E-02 7.7579419E-01 -2.9914965E-01 19 8.0317200E-01 7.7443708E-05 -3.6426174E-04 -5.5013613E-03 6.4162923E-01 -3.4331089E-01 20 1.3459660E-01 -1.6912255E-05 6.7348321E-05 1.1777038E-03 1.9980154E-02 5.9781053E-01 21 4.7936628E-02 7.1802486E-06 -2.8245233E-05 -4.9818515E-04 -5.7140535E-03 5.6675753E-01 2p 3p 4p 5p 1 5.5868952E+04 4.0290092E-04 -1.8321629E-04 7.3206068E-05 -1.3465390E-05 2 8.9783553E+03 2.3896665E-03 -1.0957383E-03 4.4296325E-04 -8.1086688E-05 3 2.2925407E+03 1.3108071E-02 -6.0575610E-03 2.4284193E-03 -4.4677321E-04 4 7.4725119E+02 5.7647729E-02 -2.7286337E-02 1.1092360E-02 -2.0322545E-03 5 2.8190439E+02 1.8558306E-01 -9.1517996E-02 3.7096129E-02 -6.8390259E-03 6 1.1638959E+02 3.8658396E-01 -2.0508509E-01 8.5634877E-02 -1.5707140E-02 7 5.0792843E+01 4.0618899E-01 -2.0314785E-01 8.0206706E-02 -1.4924318E-02 8 2.2225736E+01 1.3439647E-01 2.1275354E-01 -1.1760645E-01 2.3166892E-02 9 1.0164330E+01 1.7319668E-03 6.1376336E-01 -3.9429528E-01 7.5178440E-02 10 4.7403972E+00 2.6588867E-03 3.0199846E-01 -6.1924902E-02 1.0228731E-02 11 1.9412109E+00 -1.0673147E-03 2.1127923E-02 6.6949375E-01 -1.6806547E-01 12 7.5979622E-01 2.9252293E-04 2.2768368E-04 4.7018986E-01 -9.8106994E-02 13 1.4550567E-01 -7.4502481E-05 9.5553763E-05 2.7698905E-02 4.6035041E-01 14 4.2914264E-02 2.7877778E-05 -3.4150295E-05 -5.9786006E-03 6.6128111E-01 3d 4d 1 8.9096106E+02 1.9067626E-03 -6.4550076E-04 2 2.5820410E+02 1.6228225E-02 -5.5254678E-03 3 9.7180147E+01 7.6155806E-02 -2.6228354E-02 4 4.1199295E+01 2.2299880E-01 -7.7939891E-02 5 1.8492864E+01 3.9430457E-01 -1.3442226E-01 6 8.4892045E+00 3.8293763E-01 -1.0184235E-01 7 3.8439630E+00 1.3796311E-01 1.6476217E-01 8 1.6748988E+00 8.7633449E-03 4.4863084E-01 9 6.7198647E-01 9.4178242E-04 4.3588509E-01 10 2.3912538E-01 -2.2676762E-04 1.8286258E-01 Exponents of valence correlating and dipole polarization functions ================================================================== f cor f pol Y 3.4332445E-01 9.8871770E-02 Zr 4.7299838E-01 1.2899846E-01 Nb 5.4972160E-01 1.1890249E-01 Mo 6.7548014E-01 1.4222616E-01 Tc 8.0289521E-01 2.2581873E-01 Ru 9.3344574E-01 1.9050946E-01 Rh 1.0704248E+00 2.1563470E-01 Pd 1.1717981E+00 1.6728726E-01 Ag 1.3567638E+00 2.7045963E-01 Cd 1.5457532E+00 3.8614736E-01 Exponents of 3d correlating functions ===================================== f Y 9.7059637E+00 Zr 1.0590811E+01 Nb 1.1510057E+01 Mo 1.2461512E+01 Tc 1.3445676E+01 Ru 1.4464751E+01 Rh 1.5516692E+01 Pd 1.6610785E+01 Ag 1.7730835E+01 Cd 1.8885961E+01