4d-Block Triple-Zeta Basis Set Archive ====================================== Date: 15 Dec 2011 When publishing work that uses these basis sets, please use the following citation: K.G. Dyall, Theor. Chem. Acc. (2007) 117:483. Available from the Dirac web site, http://dirac.chem.sdu.dk. For the 2p core correlating functions, please use the following citation: K.G. Dyall, Theor. Chem. Acc. (2012) 131, 1217. DOI: 10.1007/s00214-012-1217-8. Basis sets are available from the Dirac web site, http://dirac.chem.sdu.dk. This archive contains the exponents and the SCF spinor or orbital coefficients, given with respect to normalized (spherical or 2-spinor) Gaussian functions, for the triple-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 4d dipole polarization functions. 4. Exponents of 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 "triple zeta" applies to the s and p set; the d set is quintuple zeta. 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: 1st and 3rd s primitives from the SCF set 2nd and 3rd p primitives from the SCF set 1st, 2nd and 3rd d primitives from the SCF set Correlating 2f1g functions 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 and 6th s primitives from the SCF set 5th and 6th p primitives from the SCF set 4th and 5th d primitives from the SCF set 4s4p correlating f function for Y and Zr The f function for the remaining elements is well covered by the 4d5s correlating set. If linear dependence is encountered in the d set, do not uncontract the 1st primitive. 3. Inner core correlation. Add the correlating functions to the basis sets for the desired shells; uncontract 2s2p2d for 3d correlation and for 2s2p correlation, and 2s2p1d for 1s correlation. The uncontracted functions should be chosen to span the radial maxima of the shells. 4. Dipole polarization of the 4d. To any of the above basis sets, add the polarizing f and g functions. Dirac-Hartree-Fock basis sets ============================= ** Y 89 ** Large component functions ------------------------- 1s+ 2s+ 3s+ 4s+ 5s+ 1 8.4351209E+07 7.6632312E-06 -2.5185107E-06 1.0410826E-06 -3.8145883E-07 1.0262691E-07 2 2.0172259E+07 2.1579373E-05 -7.1015220E-06 2.9360291E-06 -1.0756428E-06 2.8938677E-07 3 5.9987648E+06 5.3879074E-05 -1.7762755E-05 7.3457641E-06 -2.6919212E-06 7.2423954E-07 4 1.9641095E+06 1.2829752E-04 -4.2394994E-05 1.7536969E-05 -6.4248505E-06 1.7285274E-06 5 6.9574117E+05 3.0520367E-04 -1.0115978E-04 4.1864939E-05 -1.5345481E-05 4.1286785E-06 6 2.6217647E+05 7.2794705E-04 -2.4201942E-04 1.0019168E-04 -3.6705712E-05 9.8753001E-06 7 1.0439347E+05 1.7423126E-03 -5.8155305E-04 2.4090533E-04 -8.8333447E-05 2.3766788E-05 8 4.3630712E+04 4.1566330E-03 -1.3931346E-03 5.7733325E-04 -2.1150248E-04 5.6903148E-05 9 1.9035842E+04 9.7876689E-03 -3.3040111E-03 1.3707857E-03 -5.0287852E-04 1.3531020E-04 10 8.6264284E+03 2.2461520E-02 -7.6675074E-03 3.1852747E-03 -1.1670918E-03 3.1400928E-04 11 4.0432005E+03 4.9337707E-02 -1.7235082E-02 7.1842407E-03 -2.6384518E-03 7.1002230E-04 12 1.9520169E+03 1.0104424E-01 -3.6819816E-02 1.5432463E-02 -5.6610998E-03 1.5234078E-03 13 9.6680789E+02 1.8422745E-01 -7.2959346E-02 3.0948071E-02 -1.1405255E-02 3.0705511E-03 14 4.8961782E+02 2.7543568E-01 -1.2676158E-01 5.4924773E-02 -2.0248048E-02 5.4526330E-03 15 2.5264831E+02 2.9117291E-01 -1.7312874E-01 7.8093992E-02 -2.9132935E-02 7.8553372E-03 16 1.3171666E+02 1.7055059E-01 -1.1988161E-01 5.6892367E-02 -2.1174840E-02 5.7115580E-03 17 6.6911370E+01 3.4537747E-02 1.5619873E-01 -8.9693617E-02 3.4269389E-02 -9.2773583E-03 18 3.5693085E+01 -2.3062016E-04 4.9578257E-01 -3.6771300E-01 1.5074624E-01 -4.1167150E-02 19 1.9076770E+01 9.1944031E-04 4.1865229E-01 -4.3002762E-01 1.8232818E-01 -5.0009156E-02 20 9.9736364E+00 -4.8558121E-04 1.0616850E-01 7.1752214E-02 -3.4147417E-02 9.2561085E-03 21 5.1877309E+00 2.0974157E-04 4.5467477E-03 6.7573715E-01 -4.1850331E-01 1.2205893E-01 22 2.7007866E+00 -1.3880161E-04 1.6665988E-03 4.8834564E-01 -5.2587526E-01 1.6462691E-01 23 1.2568139E+00 7.2789440E-05 -5.0760213E-04 6.1538452E-02 1.7809585E-01 -7.2449909E-02 24 6.4606127E-01 -3.8220159E-05 1.7509375E-04 -2.9414320E-03 7.5090996E-01 -3.0347734E-01 25 3.1163398E-01 1.5258880E-05 -1.0213417E-04 1.7814510E-03 3.9534403E-01 -3.2298121E-01 26 9.0728152E-02 -5.8078087E-06 3.2677431E-05 -3.6846106E-04 2.2369167E-02 2.8469291E-01 27 4.5010679E-02 3.9793083E-06 -2.1722068E-05 2.2834124E-04 -4.8697493E-03 6.6112760E-01 28 2.1039942E-02 -1.1523935E-06 6.7862835E-06 -7.7905733E-05 2.6263610E-03 2.6152747E-01 2p- 3p- 4p- 5p- 1 5.4060833E+05 7.0403530E-05 -2.9742441E-05 9.9551668E-06 -2.4455777E-06 2 7.9436803E+04 2.3361087E-04 -9.8726046E-05 3.3049192E-05 -8.1214810E-06 3 1.7787581E+04 7.3418043E-04 -3.1081512E-04 1.0405274E-04 -2.5547712E-05 4 5.1737773E+03 2.4399683E-03 -1.0354838E-03 3.4692841E-04 -8.5333800E-05 5 1.8065514E+03 8.5346843E-03 -3.6474841E-03 1.2225802E-03 -2.9995435E-04 6 7.1515046E+02 2.8555414E-02 -1.2338781E-02 4.1460365E-03 -1.0207749E-03 7 3.0920691E+02 8.3652473E-02 -3.7124178E-02 1.2514015E-02 -3.0702765E-03 8 1.4254978E+02 1.9666811E-01 -9.0809287E-02 3.0834357E-02 -7.6058036E-03 9 6.8664864E+01 3.3497355E-01 -1.6408159E-01 5.6201029E-02 -1.3784534E-02 10 3.4153825E+01 3.4787546E-01 -1.6794429E-01 5.7483419E-02 -1.4290897E-02 11 1.7209293E+01 1.6333037E-01 5.0900021E-02 -2.9232788E-02 7.8537497E-03 12 8.8124528E+00 2.3152744E-02 3.8239212E-01 -1.6702745E-01 4.1391983E-02 13 4.5333864E+00 2.6684424E-03 4.6760101E-01 -2.3894008E-01 6.3089678E-02 14 2.3458442E+00 -4.4184383E-04 2.0626582E-01 -5.4838108E-02 8.2152232E-03 15 1.1596685E+00 3.7334713E-04 2.3996664E-02 3.6249928E-01 -1.0316633E-01 16 5.6179599E-01 -2.0799355E-04 5.5799642E-04 5.2280486E-01 -1.8459281E-01 17 2.6625517E-01 8.7147831E-05 1.6118297E-04 2.5989466E-01 -8.4291379E-02 18 9.5370384E-02 -3.6430253E-05 -3.9355792E-05 2.8127549E-02 3.3568662E-01 19 4.1487412E-02 1.9498033E-05 1.2353610E-05 -3.4038445E-03 5.7703264E-01 20 1.7736610E-02 -6.1118650E-06 -4.6811817E-06 1.2386967E-03 2.3023834E-01 2p+ 3p+ 4p+ 5p+ 1 5.4060833E+05 1.5755381E-06 -6.6942267E-07 2.2341504E-07 -5.4946709E-08 2 7.9436803E+04 2.1297117E-05 -9.0410952E-06 3.0205797E-06 -7.4632847E-07 3 1.7787581E+04 1.8993573E-04 -8.0846669E-05 2.6991224E-05 -6.6401959E-06 4 5.1737773E+03 1.2202146E-03 -5.1975516E-04 1.7371760E-04 -4.2906846E-05 5 1.8065514E+03 6.0047477E-03 -2.5744225E-03 8.6048270E-04 -2.1176431E-04 6 7.1515046E+02 2.3674110E-02 -1.0253714E-02 3.4357479E-03 -8.4877161E-04 7 3.0920691E+02 7.5321826E-02 -3.3483956E-02 1.1253579E-02 -2.7706312E-03 8 1.4254978E+02 1.8613849E-01 -8.6063203E-02 2.9132771E-02 -7.2080139E-03 9 6.8664864E+01 3.2954368E-01 -1.6171451E-01 5.5222528E-02 -1.3597234E-02 10 3.4153825E+01 3.5654769E-01 -1.7594152E-01 6.0257029E-02 -1.5007587E-02 11 1.7209293E+01 1.7656714E-01 3.0663187E-02 -2.0903226E-02 5.7307002E-03 12 8.8124528E+00 2.7179883E-02 3.6696184E-01 -1.5916875E-01 3.9629223E-02 13 4.5333864E+00 2.9948542E-03 4.7543858E-01 -2.4078828E-01 6.3440986E-02 14 2.3458442E+00 -4.5844361E-04 2.2356106E-01 -7.4450928E-02 1.4261148E-02 15 1.1596685E+00 3.9908483E-04 2.8465521E-02 3.4180404E-01 -9.7632327E-02 16 5.6179599E-01 -2.2392387E-04 6.5531850E-04 5.2557670E-01 -1.8277889E-01 17 2.6625517E-01 9.3975646E-05 1.9940716E-04 2.8098118E-01 -9.9336568E-02 18 9.5370384E-02 -3.9310189E-05 -4.9287912E-05 3.3808470E-02 3.1331830E-01 19 4.1487412E-02 2.1058242E-05 1.6489137E-05 -4.3864082E-03 5.8322566E-01 20 1.7736610E-02 -6.6011939E-06 -6.0567592E-06 1.5706185E-03 2.4883442E-01 3d- 4d- 1 1.5281045E+03 2.3666554E-04 -4.4999875E-05 2 4.3836968E+02 1.9960715E-03 -3.8222304E-04 3 1.6618155E+02 1.1155335E-02 -2.1318660E-03 4 7.2228659E+01 4.3075652E-02 -8.3111295E-03 5 3.3819946E+01 1.2162684E-01 -2.3586650E-02 6 1.6611951E+01 2.4495410E-01 -4.7777482E-02 7 8.2918320E+00 3.4204345E-01 -6.3543902E-02 8 4.1414167E+00 3.1934590E-01 -5.3534648E-02 9 2.0227197E+00 1.5888668E-01 3.6423779E-02 10 9.0663898E-01 2.6907630E-02 2.1229314E-01 11 3.8115269E-01 9.7485921E-05 3.6546991E-01 12 1.5203328E-01 3.5985337E-04 3.9453760E-01 13 5.6199676E-02 -6.1351193E-05 2.7864797E-01 3d+ 4d+ 1 1.5281045E+03 1.7284323E-04 -3.2664049E-05 2 4.3836968E+02 1.7793601E-03 -3.3908155E-04 3 1.6618155E+02 1.0528890E-02 -2.0014937E-03 4 7.2228659E+01 4.1754570E-02 -8.0148394E-03 5 3.3819946E+01 1.1939505E-01 -2.3032786E-02 6 1.6611951E+01 2.4238600E-01 -4.7053833E-02 7 8.2918320E+00 3.4113763E-01 -6.3145021E-02 8 4.1414167E+00 3.2179396E-01 -5.4099407E-02 9 2.0227197E+00 1.6236547E-01 3.3747959E-02 10 9.0663898E-01 2.8023434E-02 2.0798287E-01 11 3.8115269E-01 1.0567917E-04 3.6361582E-01 12 1.5203328E-01 3.8196692E-04 3.9615655E-01 13 5.6199676E-02 -6.6039001E-05 2.8437404E-01 Small component functions ------------------------- 1s+ 2s+ 3s+ 4s+ 5s+ 1 8.4351209E+07 -1.8125725E-05 5.9507247E-06 -2.4596094E-06 9.0142320E-07 -2.4252053E-07 2 2.0172259E+07 -6.6843516E-05 2.1940288E-05 -9.0674912E-06 3.3210357E-06 -8.9345790E-07 3 5.9987648E+06 -1.5336600E-04 5.0357299E-05 -2.0814719E-05 7.6289024E-06 -2.0525036E-06 4 1.9641095E+06 -3.2932310E-04 1.0811556E-04 -4.4682481E-05 1.6363540E-05 -4.4022503E-06 5 6.9574117E+05 -6.5934765E-04 2.1660039E-04 -8.9536954E-05 3.2820400E-05 -8.8301792E-06 6 2.6217647E+05 -1.2679474E-03 4.1662260E-04 -1.7220098E-04 6.3057174E-05 -1.6964056E-05 7 1.0439347E+05 -2.3387447E-03 7.6977766E-04 -3.1829516E-04 1.1669359E-04 -3.1396348E-05 8 4.3630712E+04 -4.1660185E-03 1.3741742E-03 -5.6826855E-04 2.0807789E-04 -5.5978572E-05 9 1.9035842E+04 -7.1615336E-03 2.3766076E-03 -9.8382791E-04 3.6082396E-04 -9.7083159E-05 10 8.6264284E+03 -1.1849450E-02 3.9741213E-03 -1.6471227E-03 6.0322145E-04 -1.6228896E-04 11 4.0432005E+03 -1.8659023E-02 6.4045696E-03 -2.6636147E-03 9.7791008E-04 -2.6314855E-04 12 1.9520169E+03 -2.7373539E-02 9.8060035E-03 -4.1010567E-03 1.5037696E-03 -4.0464481E-04 13 9.6680789E+02 -3.5819853E-02 1.3957788E-02 -5.9087224E-03 2.1768584E-03 -5.8603351E-04 14 4.8961782E+02 -3.8586660E-02 1.7491474E-02 -7.5652912E-03 2.7880530E-03 -7.5076897E-04 15 2.5264831E+02 -2.9521567E-02 1.7315317E-02 -7.7995443E-03 2.9089609E-03 -7.8434076E-04 16 1.3171666E+02 -1.2535744E-02 8.7339217E-03 -4.1447700E-03 1.5427314E-03 -4.1612896E-04 17 6.6911370E+01 -1.8126608E-03 -8.0228935E-03 4.5927284E-03 -1.7536659E-03 4.7471498E-04 18 3.5693085E+01 9.0931384E-06 -1.8724185E-02 1.3859228E-02 -5.6800049E-03 1.5510854E-03 19 1.9076770E+01 -2.5757933E-05 -1.1574954E-02 1.1871562E-02 -5.0329299E-03 1.3804261E-03 20 9.9736364E+00 9.8454664E-06 -2.1234836E-03 -1.4262911E-03 6.7804923E-04 -1.8375037E-04 21 5.1877309E+00 -3.0758905E-06 -6.5414064E-05 -9.7270826E-03 6.0221854E-03 -1.7563179E-03 22 2.7007866E+00 1.4646467E-06 -1.7405522E-05 -5.0734656E-03 5.4618261E-03 -1.7098242E-03 23 1.2568139E+00 -5.2427497E-07 3.6411909E-06 -4.3615811E-04 -1.2614795E-03 5.1315302E-04 24 6.4606127E-01 1.9746910E-07 -9.1275087E-07 1.4952998E-05 -3.8144599E-03 1.5415385E-03 25 3.1163398E-01 -5.4708864E-08 3.6894813E-07 -6.2883006E-06 -1.3947933E-03 1.1394533E-03 26 9.0728152E-02 1.1235258E-08 -6.5477842E-08 7.0227216E-07 -4.2586484E-05 -5.4192340E-04 27 4.5010679E-02 -5.4201008E-09 3.1415004E-08 -3.0671381E-07 6.5321079E-06 -8.8642309E-04 28 2.1039942E-02 1.0723257E-09 -6.9368791E-09 7.1576088E-08 -2.4083751E-06 -2.3973734E-04 2p- 3p- 4p- 5p- 1 5.4060833E+05 -1.6062035E-05 6.7964269E-06 -2.2747300E-06 5.5813762E-07 2 7.9436803E+04 -7.2794044E-05 3.0801033E-05 -1.0316300E-05 2.5387751E-06 3 1.7787581E+04 -2.6941388E-04 1.1430381E-04 -3.8267714E-05 9.3851559E-06 4 5.1737773E+03 -8.5705098E-04 3.6403981E-04 -1.2200510E-04 3.0031183E-05 5 1.8065514E+03 -2.3599778E-03 1.0092640E-03 -3.3829369E-04 8.2969618E-05 6 7.1515046E+02 -5.6428477E-03 2.4387048E-03 -8.1950207E-04 2.0180096E-04 7 3.0920691E+02 -1.1479220E-02 5.0955106E-03 -1.7176354E-03 4.2138181E-04 8 1.4254978E+02 -1.8764112E-02 8.6677510E-03 -2.9433470E-03 7.2606399E-04 9 6.8664864E+01 -2.2411229E-02 1.0986904E-02 -3.7635981E-03 9.2308444E-04 10 3.4153825E+01 -1.6468193E-02 7.9662481E-03 -2.7276380E-03 6.7816660E-04 11 1.7209293E+01 -5.4573940E-03 -1.7306607E-03 9.9026113E-04 -2.6597333E-04 12 8.8124528E+00 -5.1462866E-04 -9.2642266E-03 4.0449606E-03 -1.0023731E-03 13 4.5333864E+00 -1.7694891E-05 -8.1261514E-03 4.1512435E-03 -1.0960611E-03 14 2.3458442E+00 2.3091266E-05 -2.5795575E-03 6.8662348E-04 -1.0303266E-04 15 1.1596685E+00 8.2403834E-06 -2.1175194E-04 -3.1838562E-03 9.0612901E-04 16 5.6179599E-01 7.5326284E-06 -3.9048513E-06 -3.1965611E-03 1.1286796E-03 17 2.6625517E-01 4.1149677E-06 -1.0185213E-06 -1.0937831E-03 3.5478298E-04 18 9.5370384E-02 2.8438097E-06 -1.1435167E-07 -7.0640988E-05 -8.4582302E-04 19 4.1487412E-02 4.1975065E-07 -5.4247812E-08 5.6936653E-06 -9.5891880E-04 20 1.7736610E-02 1.1696197E-06 -8.4684810E-08 -1.2489476E-06 -2.5018474E-04 2p+ 3p+ 4p+ 5p+ 1 5.4060833E+05 -4.1529543E-06 1.7634578E-06 -5.8820452E-07 1.4438944E-07 2 7.9436803E+04 -3.3001684E-05 1.3978767E-05 -4.6696423E-06 1.1546860E-06 3 1.7787581E+04 -1.6992536E-04 7.2172826E-05 -2.4085352E-05 5.9230553E-06 4 5.1737773E+03 -6.4755286E-04 2.7515399E-04 -9.1934625E-05 2.2709933E-05 5 1.8065514E+03 -1.9760193E-03 8.4522208E-04 -2.8240491E-04 6.9491614E-05 6 7.1515046E+02 -5.0286796E-03 2.1731910E-03 -7.2794543E-04 1.7983421E-04 7 3.0920691E+02 -1.0668669E-02 4.7330974E-03 -1.5902510E-03 3.9149919E-04 8 1.4254978E+02 -1.8035992E-02 8.3244299E-03 -2.8171489E-03 6.9700827E-04 9 6.8664864E+01 -2.2247343E-02 1.0901042E-02 -3.7217230E-03 9.1636134E-04 10 3.4153825E+01 -1.7011679E-02 8.3860147E-03 -2.8718807E-03 7.1526449E-04 11 1.7209293E+01 -5.9853855E-03 -1.0308951E-03 7.0423764E-04 -1.9312711E-04 12 8.8124528E+00 -6.5938882E-04 -8.8849153E-03 3.8529492E-03 -9.5926757E-04 13 4.5333864E+00 -5.2119113E-05 -8.2596760E-03 4.1822750E-03 -1.1018937E-03 14 2.3458442E+00 5.7554377E-06 -2.7943749E-03 9.3065967E-04 -1.7830747E-04 15 1.1596685E+00 -3.5188233E-06 -2.5012852E-04 -3.0029238E-03 8.5772958E-04 16 5.6179599E-01 1.3747960E-06 -4.0251408E-06 -3.2140189E-03 1.1177079E-03 17 2.6625517E-01 -3.9760349E-07 -8.3228864E-07 -1.1829278E-03 4.1820058E-04 18 9.5370384E-02 9.9704936E-08 1.2129340E-07 -8.5183851E-05 -7.8942406E-04 19 4.1487412E-02 -3.5315222E-08 -2.5819742E-08 7.2889004E-06 -9.6920449E-04 20 1.7736610E-02 7.2706305E-09 6.0498940E-09 -1.7064007E-06 -2.7037524E-04 3d- 4d- 1 1.5281045E+03 -6.8809171E-05 1.3073735E-05 2 4.3836968E+02 -3.7353726E-04 7.1541477E-05 3 1.6618155E+02 -1.3460616E-03 2.5722620E-04 4 7.2228659E+01 -3.4898662E-03 6.7336287E-04 5 3.3819946E+01 -6.7890399E-03 1.3165824E-03 6 1.6611951E+01 -9.6121294E-03 1.8749610E-03 7 8.2918320E+00 -9.4950287E-03 1.7641038E-03 8 4.1414167E+00 -6.2685820E-03 1.0510238E-03 9 2.0227197E+00 -2.1792017E-03 -5.0000506E-04 10 9.0663898E-01 -2.4637610E-04 -1.9511873E-03 11 3.8115269E-01 -2.1363027E-07 -2.1780574E-03 12 1.5203328E-01 -1.2405905E-06 -1.4850231E-03 13 5.6199676E-02 1.8800023E-07 -6.3767566E-04 3d+ 4d+ 1 1.5281045E+03 -6.1849447E-05 1.1683890E-05 2 4.3836968E+02 -3.5160322E-04 6.6993062E-05 3 1.6618155E+02 -1.2967228E-03 2.4645243E-04 4 7.2228659E+01 -3.4090437E-03 6.5427379E-04 5 3.3819946E+01 -6.6887899E-03 1.2901662E-03 6 1.6611951E+01 -9.5295014E-03 1.8497384E-03 7 8.2918320E+00 -9.4804503E-03 1.7546784E-03 8 4.1414167E+00 -6.3217939E-03 1.0627476E-03 9 2.0227197E+00 -2.2294402E-03 -4.6320766E-04 10 9.0663898E-01 -2.5762400E-04 -1.9116503E-03 11 3.8115269E-01 -6.2881557E-07 -2.1670618E-03 12 1.5203328E-01 -1.4382533E-06 -1.4911438E-03 13 5.6199676E-02 1.5126597E-07 -6.5079133E-04 ** Zr 90 ** Large component functions ------------------------- 1s+ 2s+ 3s+ 4s+ 5s+ 1 8.4191304E+07 8.4478647E-06 -2.7879257E-06 1.1614748E-06 -4.3715195E-07 1.1841799E-07 2 2.0196144E+07 2.3683456E-05 -7.8267513E-06 3.2612622E-06 -1.2273205E-06 3.3245164E-07 3 6.0192378E+06 5.8910892E-05 -1.9504326E-05 8.1292365E-06 -3.0600987E-06 8.2895919E-07 4 1.9738252E+06 1.3950405E-04 -4.6299227E-05 1.9302891E-05 -7.2644099E-06 1.9677375E-06 5 7.0080146E+05 3.2935149E-04 -1.0965179E-04 4.5736364E-05 -1.7220812E-05 4.6652208E-06 6 2.6486827E+05 7.7909033E-04 -2.6022721E-04 1.0858413E-04 -4.0864371E-05 1.1068890E-05 7 1.0578567E+05 1.8500559E-03 -6.2048767E-04 2.5906629E-04 -9.7578640E-05 2.6436496E-05 8 4.4330494E+04 4.3834559E-03 -1.4765912E-03 6.1682132E-04 -2.3213154E-04 6.2875609E-05 9 1.9379750E+04 1.0264243E-02 -3.4832727E-03 1.4566771E-03 -5.4894313E-04 1.4873708E-04 10 8.7946721E+03 2.3437248E-02 -8.0466639E-03 3.3700141E-03 -1.2685046E-03 3.4358863E-04 11 4.1267361E+03 5.1205937E-02 -1.8002150E-02 7.5650752E-03 -2.8541232E-03 7.7348035E-04 12 1.9949760E+03 1.0410814E-01 -3.8225897E-02 1.6158150E-02 -6.0897627E-03 1.6497010E-03 13 9.9011784E+02 1.8782387E-01 -7.5091809E-02 3.2130214E-02 -1.2166311E-02 3.2990096E-03 14 5.0287780E+02 2.7684400E-01 -1.2896998E-01 5.6417074E-02 -2.1374336E-02 5.7939390E-03 15 2.6040596E+02 2.8724053E-01 -1.7299841E-01 7.8808202E-02 -3.0224733E-02 8.2120819E-03 16 1.3637011E+02 1.6437487E-01 -1.1419714E-01 5.4725591E-02 -2.0928309E-02 5.6750328E-03 17 6.9780335E+01 3.2564358E-02 1.6462440E-01 -9.6087157E-02 3.7838315E-02 -1.0299685E-02 18 3.7404116E+01 -1.0004702E-04 4.9519383E-01 -3.7344759E-01 1.5793964E-01 -4.3529579E-02 19 2.0103068E+01 8.0502556E-04 4.1224188E-01 -4.2798637E-01 1.8710234E-01 -5.1659383E-02 20 1.0588033E+01 -4.2850603E-04 1.0511358E-01 7.4168877E-02 -3.5674781E-02 9.5439513E-03 21 5.5574419E+00 1.7848737E-04 4.6950029E-03 6.7676256E-01 -4.3928756E-01 1.3023730E-01 22 2.9254403E+00 -1.2305121E-04 1.6133735E-03 4.8704048E-01 -5.4281753E-01 1.7168997E-01 23 1.3954975E+00 6.4311120E-05 -5.0117438E-04 6.3670594E-02 1.9466884E-01 -7.9463378E-02 24 7.1847945E-01 -3.2177962E-05 1.5414929E-04 -2.0847669E-03 7.6041646E-01 -3.1850036E-01 25 3.4829665E-01 1.2974794E-05 -9.6236164E-05 1.6529153E-03 3.8842515E-01 -3.0990050E-01 26 1.0475655E-01 -4.7056774E-06 2.8819705E-05 -3.0042729E-04 2.2363564E-02 2.7578321E-01 27 5.0577364E-02 3.0543415E-06 -1.7798343E-05 1.6892185E-04 -3.8721979E-03 6.5994263E-01 28 2.3214054E-02 -8.8381800E-07 5.8136880E-06 -6.4513767E-05 2.5529589E-03 2.7255443E-01 2p- 3p- 4p- 5p- 1 6.2749634E+05 6.9884221E-05 -2.9822943E-05 1.0338155E-05 -2.5578034E-06 2 9.1915913E+04 2.3066266E-04 -9.8470334E-05 3.4139204E-05 -8.4492319E-06 3 2.0411097E+04 7.1527110E-04 -3.0584523E-04 1.0604078E-04 -2.6221874E-05 4 5.8756180E+03 2.3290943E-03 -9.9840449E-04 3.4643649E-04 -8.5824402E-05 5 2.0333044E+03 8.0342317E-03 -3.4670448E-03 1.2035446E-03 -2.9737569E-04 6 7.9947804E+02 2.6818939E-02 -1.1698778E-02 4.0712184E-03 -1.0096515E-03 7 3.4393220E+02 7.9093853E-02 -3.5395101E-02 1.2356231E-02 -3.0530003E-03 8 1.5798947E+02 1.8869434E-01 -8.7826301E-02 3.0887805E-02 -7.6755040E-03 9 7.5932289E+01 3.2852196E-01 -1.6205052E-01 5.7494068E-02 -1.4203074E-02 10 3.7722887E+01 3.5338453E-01 -1.7419744E-01 6.1945623E-02 -1.5518707E-02 11 1.9021928E+01 1.7510016E-01 3.3501232E-02 -2.3459584E-02 6.5294328E-03 12 9.7519559E+00 2.6999754E-02 3.7194357E-01 -1.6962565E-01 4.2413740E-02 13 5.0248730E+00 2.8556523E-03 4.7619771E-01 -2.5306968E-01 6.7613432E-02 14 2.6099301E+00 -4.4843335E-04 2.1638352E-01 -6.3979200E-02 1.0069382E-02 15 1.3027378E+00 3.8082834E-04 2.6186351E-02 3.7059470E-01 -1.0798167E-01 16 6.3472007E-01 -2.1614884E-04 7.0058535E-04 5.2713071E-01 -1.9018521E-01 17 3.0063248E-01 8.6147008E-05 1.8323312E-04 2.5504169E-01 -7.0553184E-02 18 1.0710516E-01 -3.5800065E-05 -2.7809091E-05 2.6841907E-02 3.4449133E-01 19 4.5692137E-02 1.8614073E-05 8.9675221E-06 -3.1424033E-03 5.7144945E-01 20 1.9199190E-02 -5.8469693E-06 -3.6904276E-06 1.1340771E-03 2.2656371E-01 2p+ 3p+ 4p+ 5p+ 1 6.2749634E+05 1.4209655E-06 -6.1008990E-07 2.1090264E-07 -5.2068541E-08 2 9.1915913E+04 1.8907857E-05 -8.1140057E-06 2.8081452E-06 -6.9680365E-07 3 2.0411097E+04 1.6903800E-04 -7.2712234E-05 2.5145052E-05 -6.2098906E-06 4 5.8756180E+03 1.0981839E-03 -4.7281032E-04 1.6369839E-04 -4.0602993E-05 5 2.0333044E+03 5.4723431E-03 -2.3702472E-03 8.2061186E-04 -2.0274119E-04 6 7.9947804E+02 2.1853276E-02 -9.5599099E-03 3.3181037E-03 -8.2316915E-04 7 3.4393220E+02 7.0531963E-02 -3.1630704E-02 1.1010936E-02 -2.7216128E-03 8 1.5798947E+02 1.7758544E-01 -8.2800423E-02 2.9034921E-02 -7.2148253E-03 9 7.5932289E+01 3.2215677E-01 -1.5924114E-01 5.6332762E-02 -1.3927329E-02 10 3.7722887E+01 3.6168062E-01 -1.8194732E-01 6.4725915E-02 -1.6195061E-02 11 1.9021928E+01 1.8933853E-01 1.2394037E-02 -1.4508974E-02 4.2089827E-03 12 9.7519559E+00 3.1775579E-02 3.5475253E-01 -1.6069453E-01 4.0242064E-02 13 5.0248730E+00 3.2395501E-03 4.8363509E-01 -2.5474212E-01 6.7691522E-02 14 2.6099301E+00 -4.5615118E-04 2.3487320E-01 -8.5348003E-02 1.6712337E-02 15 1.3027378E+00 4.0259329E-04 3.1180803E-02 3.4852028E-01 -1.0158176E-01 16 6.3472007E-01 -2.3039895E-04 8.4277028E-04 5.3077659E-01 -1.8806171E-01 17 3.0063248E-01 9.1892133E-05 2.2232169E-04 2.7705292E-01 -8.6873330E-02 18 1.0710516E-01 -3.8244251E-05 -3.4782466E-05 3.2463102E-02 3.2054726E-01 19 4.5692137E-02 1.9896927E-05 1.1937770E-05 -4.0844561E-03 5.7800088E-01 20 1.9199190E-02 -6.2500330E-06 -4.7172094E-06 1.4523455E-03 2.4705402E-01 3d- 4d- 1 1.6433352E+03 2.3912486E-04 -5.3196302E-05 2 4.7016972E+02 2.0041928E-03 -4.4947554E-04 3 1.7800241E+02 1.1208920E-02 -2.5073003E-03 4 7.7328258E+01 4.3432817E-02 -9.8205992E-03 5 3.6216201E+01 1.2300530E-01 -2.7952992E-02 6 1.7802095E+01 2.4793324E-01 -5.6728619E-02 7 8.9007696E+00 3.4537656E-01 -7.4980974E-02 8 4.4638930E+00 3.1695136E-01 -6.0848857E-02 9 2.1964293E+00 1.5117494E-01 5.3197996E-02 10 9.9644797E-01 2.4101720E-02 2.5271454E-01 11 4.3195148E-01 1.4219593E-04 3.8927012E-01 12 1.7836956E-01 3.7403363E-04 3.6927448E-01 13 6.7990115E-02 -2.8648425E-05 2.0981885E-01 3d+ 4d+ 1 1.6433352E+03 1.7142624E-04 -3.7877287E-05 2 4.7016972E+02 1.7736782E-03 -3.9570666E-04 3 1.7800241E+02 1.0542636E-02 -2.3446362E-03 4 7.7328258E+01 4.2025604E-02 -9.4493252E-03 5 3.6216201E+01 1.2063739E-01 -2.7259126E-02 6 1.7802095E+01 2.4524714E-01 -5.5827737E-02 7 8.9007696E+00 3.4452343E-01 -7.4506314E-02 8 4.4638930E+00 3.1963993E-01 -6.1622374E-02 9 2.1964293E+00 1.5471392E-01 4.9781908E-02 10 9.9644797E-01 2.5156996E-02 2.4772499E-01 11 4.3195148E-01 1.4636121E-04 3.8767646E-01 12 1.7836956E-01 3.9743070E-04 3.7200947E-01 13 6.7990115E-02 -3.1867101E-05 2.1634738E-01 Small component functions ------------------------- 1s+ 2s+ 3s+ 4s+ 5s+ 1 8.4191304E+07 -1.9493389E-05 6.4260941E-06 -2.6768277E-06 1.0077142E-06 -2.7299105E-07 2 2.0196144E+07 -7.1808377E-05 2.3667506E-05 -9.8581137E-06 3.7089202E-06 -1.0045937E-06 3 6.0192378E+06 -1.6449608E-04 5.4234626E-05 -2.2592298E-05 8.5056055E-06 -2.3042166E-06 4 1.9738252E+06 -3.5242194E-04 1.1617994E-04 -4.8392835E-05 1.8204981E-05 -4.9308457E-06 5 7.0080146E+05 -7.0286737E-04 2.3185497E-04 -9.6590387E-05 3.6368769E-05 -9.8527841E-06 6 2.6486827E+05 -1.3465516E-03 4.4431181E-04 -1.8509213E-04 6.9623693E-05 -1.8857179E-05 7 1.0578567E+05 -2.4753141E-03 8.1817579E-04 -3.4094788E-04 1.2839820E-04 -3.4786167E-05 8 4.4330494E+04 -4.3974020E-03 1.4568291E-03 -6.0721628E-04 2.2839703E-04 -6.1858502E-05 9 1.9379750E+04 -7.5427342E-03 2.5144167E-03 -1.0490394E-03 3.9520757E-04 -1.0707904E-04 10 8.7946721E+03 -1.2449915E-02 4.1960418E-03 -1.7530540E-03 6.5953048E-04 -1.7862670E-04 11 4.1267361E+03 -1.9537486E-02 6.7432211E-03 -2.8269214E-03 1.0661516E-03 -2.8891965E-04 12 1.9949760E+03 -2.8498972E-02 1.0278444E-02 -4.3347061E-03 1.6329586E-03 -4.4233441E-04 13 9.9011784E+02 -3.6961292E-02 1.4527891E-02 -6.2029552E-03 2.3479974E-03 -6.3665376E-04 14 5.0287780E+02 -3.9325010E-02 1.8030780E-02 -7.8725133E-03 2.9815719E-03 -8.0817375E-04 15 2.6040596E+02 -2.9587392E-02 1.7566923E-02 -7.9907895E-03 3.0639127E-03 -8.3243951E-04 16 1.3637011E+02 -1.2303397E-02 8.4720224E-03 -4.0603914E-03 1.5529234E-03 -4.2110946E-04 17 6.9780335E+01 -1.7468602E-03 -8.6356751E-03 5.0243202E-03 -1.9772573E-03 5.3816037E-04 18 3.7404116E+01 4.1926205E-06 -1.9146128E-02 1.4407992E-02 -6.0915514E-03 1.6788140E-03 19 2.0103068E+01 -2.3170314E-05 -1.1701550E-02 1.2129195E-02 -5.3019279E-03 1.4638621E-03 20 1.0588033E+01 8.9600040E-06 -2.1664610E-03 -1.5187814E-03 7.2959534E-04 -1.9510903E-04 21 5.5574419E+00 -2.7139451E-06 -6.9919860E-05 -1.0083014E-02 6.5424377E-03 -1.9395546E-03 22 2.9254403E+00 1.3529063E-06 -1.7545035E-05 -5.2663142E-03 5.8676482E-03 -1.8558823E-03 23 1.3954975E+00 -4.8876496E-07 3.7911903E-06 -4.7552488E-04 -1.4529439E-03 5.9305874E-04 24 7.1847945E-01 1.7564135E-07 -8.5078022E-07 1.1175119E-05 -4.0735088E-03 1.7061124E-03 25 3.4829665E-01 -4.9270604E-08 3.6819381E-07 -6.1671328E-06 -1.4487621E-03 1.1558319E-03 26 1.0475655E-01 9.8093900E-09 -6.2336420E-08 6.1488326E-07 -4.5748733E-05 -5.6409006E-04 27 5.0577364E-02 -4.4265343E-09 2.7547107E-08 -2.4027640E-07 5.5059935E-06 -9.3795527E-04 28 2.3214054E-02 8.6851553E-10 -6.3012851E-09 6.2165765E-08 -2.4589255E-06 -2.6243706E-04 2p- 3p- 4p- 5p- 1 6.2749634E+05 -1.5946640E-05 6.8155031E-06 -2.3624754E-06 5.8377704E-07 2 9.1915913E+04 -7.1162330E-05 3.0420523E-05 -1.0552529E-05 2.6157233E-06 3 2.0411097E+04 -2.6166489E-04 1.1213633E-04 -3.8881446E-05 9.6026950E-06 4 5.8756180E+03 -8.3305427E-04 3.5747942E-04 -1.2408507E-04 3.0765580E-05 5 2.0333044E+03 -2.3033834E-03 9.9473212E-04 -3.4531618E-04 8.5286914E-05 6 7.9947804E+02 -5.5445942E-03 2.4191738E-03 -8.4195058E-04 2.0884492E-04 7 3.4393220E+02 -1.1392520E-02 5.0994309E-03 -1.7801963E-03 4.3981112E-04 8 1.5798947E+02 -1.8911955E-02 8.8062074E-03 -3.0973040E-03 7.6971658E-04 9 7.5932289E+01 -2.3090114E-02 1.1399336E-02 -4.0448034E-03 9.9918408E-04 10 3.7722887E+01 -1.7573667E-02 8.6802254E-03 -3.0878668E-03 7.7364061E-04 11 1.9021928E+01 -6.1519784E-03 -1.2015682E-03 8.3595098E-04 -2.3256323E-04 12 9.7519559E+00 -6.3623325E-04 -9.4793372E-03 4.3210932E-03 -1.0804182E-03 13 5.0248730E+00 -2.0032608E-05 -8.7127264E-03 4.6288663E-03 -1.2366677E-03 14 2.6099301E+00 2.5559824E-05 -2.8544129E-03 8.4490115E-04 -1.3317283E-04 15 1.3027378E+00 9.4108639E-06 -2.4487451E-04 -3.4497922E-03 1.0051957E-03 16 6.3472007E-01 8.5307983E-06 -5.1052356E-06 -3.4257514E-03 1.2360306E-03 17 3.0063248E-01 4.7705691E-06 -1.2037120E-06 -1.1404870E-03 3.1552535E-04 18 1.0710516E-01 3.2256322E-06 -1.6420075E-07 -7.1394147E-05 -9.1986577E-04 19 4.5692137E-02 5.4680808E-07 -5.8247752E-08 5.5310350E-06 -9.9660419E-04 20 1.9199190E-02 1.2836325E-06 -9.2630017E-08 -1.1688929E-06 -2.5614373E-04 2p+ 3p+ 4p+ 5p+ 1 6.2749634E+05 -3.8097511E-06 1.6345723E-06 -5.6469276E-07 1.3910270E-07 2 9.1915913E+04 -3.0469857E-05 1.3046281E-05 -4.5146341E-06 1.1213013E-06 3 2.0411097E+04 -1.5907726E-04 6.8271476E-05 -2.3598542E-05 5.8252966E-06 4 5.8756180E+03 -6.1508751E-04 2.6413835E-04 -9.1418872E-05 2.2678499E-05 5 2.0333044E+03 -1.9006318E-03 8.2119645E-04 -2.8419336E-04 7.0203369E-05 6 7.9947804E+02 -4.8944196E-03 2.1360559E-03 -7.4113271E-04 1.8386532E-04 7 3.4393220E+02 -1.0521210E-02 4.7081023E-03 -1.6383752E-03 4.0493763E-04 8 1.5798947E+02 -1.8102981E-02 8.4246577E-03 -2.9533811E-03 7.3386769E-04 9 7.5932289E+01 -2.2864421E-02 1.1283742E-02 -3.9907739E-03 9.8661991E-04 10 3.7722887E+01 -1.8134830E-02 9.1126230E-03 -3.2414333E-03 8.1103153E-04 11 1.9021928E+01 -6.7483561E-03 -4.3330340E-04 5.1254536E-04 -1.4880591E-04 12 9.7519559E+00 -8.1100289E-04 -9.0349288E-03 4.0915988E-03 -1.0246096E-03 13 5.0248730E+00 -5.9382656E-05 -8.8457770E-03 4.6582086E-03 -1.2377811E-03 14 2.6099301E+00 6.0555827E-06 -3.0966940E-03 1.1253422E-03 -2.2040628E-04 15 1.3027378E+00 -3.7704033E-06 -2.9040202E-04 -3.2452953E-03 9.4586585E-04 16 6.3472007E-01 1.5073977E-06 -5.5005099E-06 -3.4500614E-03 1.2223742E-03 17 3.0063248E-01 -4.1477628E-07 -9.8569916E-07 -1.2394085E-03 3.8862774E-04 18 1.0710516E-01 1.0340869E-07 8.9428680E-08 -8.6680297E-05 -8.5588419E-04 19 4.5692137E-02 -3.5345362E-08 -1.8981629E-08 7.1226782E-06 -1.0080216E-03 20 1.9199190E-02 7.2721090E-09 4.7150274E-09 -1.6416286E-06 -2.7928950E-04 3d- 4d- 1 1.6433352E+03 -7.0978594E-05 1.5775517E-05 2 4.7016972E+02 -3.8638396E-04 8.6674362E-05 3 1.7800241E+02 -1.3968392E-03 3.1243154E-04 4 7.7328258E+01 -3.6376457E-03 8.2253743E-04 5 3.6216201E+01 -7.1021959E-03 1.6139855E-03 6 1.7802095E+01 -1.0069623E-02 2.3041999E-03 7 8.9007696E+00 -9.9324286E-03 2.1565236E-03 8 4.4638930E+00 -6.4588605E-03 1.2402286E-03 9 2.1964293E+00 -2.1603394E-03 -7.6094159E-04 10 9.9644797E-01 -2.3117368E-04 -2.4349988E-03 11 4.3195148E-01 -4.7849977E-07 -2.4696439E-03 12 1.7836956E-01 -1.3878078E-06 -1.5055085E-03 13 6.7990115E-02 1.3342760E-07 -5.2812881E-04 3d+ 4d+ 1 1.6433352E+03 -6.3393737E-05 1.4000672E-05 2 4.7016972E+02 -3.6240671E-04 8.0839604E-05 3 1.7800241E+02 -1.3428075E-03 2.9856579E-04 4 7.7328258E+01 -3.5489611E-03 7.9783804E-04 5 3.6216201E+01 -6.9926117E-03 1.5797836E-03 6 1.7802095E+01 -9.9808022E-03 2.2717320E-03 7 8.9007696E+00 -9.9197115E-03 2.1449969E-03 8 4.4638930E+00 -6.5194402E-03 1.2567944E-03 9 2.1964293E+00 -2.2137608E-03 -7.1202386E-04 10 9.9644797E-01 -2.4246248E-04 -2.3870404E-03 11 4.3195148E-01 -9.2715253E-07 -2.4596095E-03 12 1.7836956E-01 -1.6210501E-06 -1.5166946E-03 13 6.7990115E-02 8.0405475E-08 -5.4457782E-04 ** Nb 93 ** Large component functions ------------------------- 1s+ 2s+ 3s+ 4s+ 5s+ 1 8.3076752E+07 9.3664903E-06 -3.1038018E-06 1.3025665E-06 -5.0070491E-07 1.2604624E-07 2 2.0010418E+07 2.6122513E-05 -8.6687324E-06 3.6386522E-06 -1.3984897E-06 3.5198800E-07 3 5.9881470E+06 6.4628504E-05 -2.1487736E-05 9.0218315E-06 -3.4685531E-06 8.7325241E-07 4 1.9697165E+06 1.5222375E-04 -5.0738940E-05 2.1309916E-05 -8.1903262E-06 2.0612429E-06 5 7.0078018E+05 3.5763155E-04 -1.1959749E-04 5.0253795E-05 -1.9326049E-05 4.8663801E-06 6 2.6515103E+05 8.4205316E-04 -2.8255745E-04 1.1877698E-04 -4.5650341E-05 1.1486863E-05 7 1.0593624E+05 1.9920214E-03 -6.7133383E-04 2.8238557E-04 -1.0864024E-04 2.7362952E-05 8 4.4377186E+04 4.7060097E-03 -1.5933239E-03 6.7057342E-04 -2.5771696E-04 6.4833685E-05 9 1.9387253E+04 1.0987433E-02 -3.7491691E-03 1.5797223E-03 -6.0810861E-04 1.5321406E-04 10 8.7925688E+03 2.5005411E-02 -8.6375632E-03 3.6451871E-03 -1.4011773E-03 3.5240227E-04 11 4.1237081E+03 5.4380836E-02 -1.9258277E-02 8.1564908E-03 -3.1438442E-03 7.9250312E-04 12 1.9932161E+03 1.0970301E-01 -4.0662620E-02 1.7329335E-02 -6.6699011E-03 1.6771310E-03 13 9.8975031E+02 1.9525912E-01 -7.9125401E-02 3.4157985E-02 -1.3219369E-02 3.3361996E-03 14 5.0336183E+02 2.8130616E-01 -1.3365482E-01 5.9059393E-02 -2.2855662E-02 5.7460348E-03 15 2.6123246E+02 2.8110798E-01 -1.7350100E-01 7.9957923E-02 -3.1384123E-02 7.9526993E-03 16 1.3726888E+02 1.5182914E-01 -1.0134428E-01 4.9011372E-02 -1.9078865E-02 4.7504715E-03 17 7.0478662E+01 2.7614659E-02 1.9263832E-01 -1.1502702E-01 4.6435497E-02 -1.1638290E-02 18 3.7837251E+01 -9.7362843E-05 5.0566317E-01 -3.9497643E-01 1.7209481E-01 -4.4393863E-02 19 2.0360426E+01 6.2416147E-04 3.9019613E-01 -4.1209534E-01 1.8442087E-01 -4.6887971E-02 20 1.0685521E+01 -3.4505648E-04 9.0567686E-02 1.2467752E-01 -6.0374507E-02 1.4325824E-02 21 5.6926558E+00 1.3496480E-04 3.0729590E-03 6.9295153E-01 -4.8572069E-01 1.3702797E-01 22 3.0281666E+00 -9.4198799E-05 1.5772427E-03 4.4984322E-01 -5.2482434E-01 1.5212220E-01 23 1.4557507E+00 4.7511695E-05 -5.2382114E-04 5.3620960E-02 2.8300238E-01 -1.0111629E-01 24 7.4115396E-01 -2.1483396E-05 1.4284615E-04 -1.2092990E-03 7.7146212E-01 -3.1551581E-01 25 3.5429360E-01 8.4512090E-06 -8.4446643E-05 1.2920293E-03 3.2820334E-01 -2.4791092E-01 26 9.8104113E-02 -3.0054437E-06 2.5041530E-05 -2.1369567E-04 1.3360371E-02 3.2135917E-01 27 4.7928156E-02 2.0799900E-06 -1.7228317E-05 1.4360687E-04 -3.4979206E-03 6.2370906E-01 28 2.2120175E-02 -6.1516072E-07 5.2540626E-06 -4.6834855E-05 1.1469451E-03 2.4469649E-01 2p- 3p- 4p- 5p- 1 7.0900120E+05 7.0654411E-05 -3.0438349E-05 1.0831254E-05 -2.7352396E-06 2 1.0360723E+05 2.3229784E-04 -1.0011111E-04 3.5628117E-05 -9.0002148E-06 3 2.2853176E+04 7.1316481E-04 -3.0782138E-04 1.0955657E-04 -2.7651234E-05 4 6.5214998E+03 2.2848194E-03 -9.8870092E-04 3.5216374E-04 -8.9054441E-05 5 2.2392140E+03 7.7860728E-03 -3.3912571E-03 1.2084907E-03 -3.0474380E-04 6 8.7512115E+02 2.5907720E-02 -1.1405259E-02 4.0744202E-03 -1.0315527E-03 7 3.7475174E+02 7.6689450E-02 -3.4614924E-02 1.2405280E-02 -3.1281128E-03 8 1.7155723E+02 1.8458440E-01 -8.6640584E-02 3.1284485E-02 -7.9379169E-03 9 8.2256703E+01 3.2542229E-01 -1.6183024E-01 5.8963710E-02 -1.4866011E-02 10 4.0797559E+01 3.5635174E-01 -1.7801941E-01 6.5077676E-02 -1.6658013E-02 11 2.0560501E+01 1.8103178E-01 2.6057187E-02 -2.1302511E-02 6.2027773E-03 12 1.0539982E+01 2.8855204E-02 3.7019238E-01 -1.7478644E-01 4.4673040E-02 13 5.4400397E+00 2.9342991E-03 4.8056715E-01 -2.6458979E-01 7.2608414E-02 14 2.8356638E+00 -4.7795843E-04 2.1725373E-01 -6.1585494E-02 8.5723197E-03 15 1.4255850E+00 3.8690816E-04 2.6255943E-02 3.8481601E-01 -1.1606439E-01 16 6.9738182E-01 -2.2519342E-04 8.1206487E-04 5.2366625E-01 -1.9652984E-01 17 3.3033651E-01 8.4956545E-05 2.1937107E-04 2.4777895E-01 -5.2318156E-02 18 1.1664749E-01 -3.5520326E-05 -1.0775188E-05 2.5570585E-02 3.6277518E-01 19 4.9014704E-02 1.8049885E-05 6.6735436E-06 -3.1538758E-03 5.6201364E-01 20 2.0358735E-02 -5.7063986E-06 -2.6899935E-06 1.1384014E-03 2.1491923E-01 2p+ 3p+ 4p+ 5p+ 1 7.0900120E+05 1.3315194E-06 -5.7737570E-07 2.0486656E-07 -5.1493056E-08 2 1.0360723E+05 1.7461795E-05 -7.5693820E-06 2.6889000E-06 -6.7970671E-07 3 2.2853176E+04 1.5618559E-04 -6.7857292E-05 2.4086484E-05 -6.0562222E-06 4 6.5214998E+03 1.0235109E-03 -4.4511294E-04 1.5818359E-04 -3.9967240E-05 5 2.2392140E+03 5.1524793E-03 -2.2536936E-03 8.0089059E-04 -2.0146510E-04 6 8.7512115E+02 2.0784922E-02 -9.1805807E-03 3.2706963E-03 -8.2654607E-04 7 3.7475174E+02 6.7799437E-02 -3.0680271E-02 1.0962783E-02 -2.7590797E-03 8 1.7155723E+02 1.7287689E-01 -8.1319237E-02 2.9273661E-02 -7.4108464E-03 9 8.2256703E+01 3.1836286E-01 -1.5870457E-01 5.7648573E-02 -1.4513211E-02 10 4.0797559E+01 3.6463105E-01 -1.8590266E-01 6.7977460E-02 -1.7339480E-02 11 2.0560501E+01 1.9616924E-01 3.8050376E-03 -1.1620693E-02 3.6293953E-03 12 1.0539982E+01 3.4153625E-02 3.5166853E-01 -1.6488795E-01 4.2106901E-02 13 5.4400397E+00 3.3559222E-03 4.8835681E-01 -2.6647609E-01 7.2551790E-02 14 2.8356638E+00 -4.8254964E-04 2.3673486E-01 -8.5060978E-02 1.6058252E-02 15 1.4255850E+00 4.0697907E-04 3.1471804E-02 3.6187400E-01 -1.0888993E-01 16 6.9738182E-01 -2.3917160E-04 9.9392060E-04 5.2841320E-01 -1.9442782E-01 17 3.3033651E-01 9.0194083E-05 2.5933629E-04 2.7067694E-01 -7.0413297E-02 18 1.1664749E-01 -3.7829185E-05 -1.2481189E-05 3.1172896E-02 3.3737991E-01 19 4.9014704E-02 1.9220719E-05 7.9911692E-06 -4.1114103E-03 5.6991554E-01 20 2.0358735E-02 -6.0774952E-06 -3.1413029E-06 1.4637005E-03 2.3670978E-01 3d- 4d- 1 1.5768777E+03 2.9805233E-04 -7.2451847E-05 2 4.5147393E+02 2.4934125E-03 -6.0854177E-04 3 1.7095470E+02 1.3762882E-02 -3.3652691E-03 4 7.4133517E+01 5.2227698E-02 -1.2873960E-02 5 3.4644621E+01 1.4365888E-01 -3.5772761E-02 6 1.6955835E+01 2.7537928E-01 -6.8313734E-02 7 8.4205277E+00 3.5982222E-01 -8.4589799E-02 8 4.1997423E+00 2.9125682E-01 -4.9962364E-02 9 2.0526386E+00 1.1007546E-01 1.0601799E-01 10 9.3349011E-01 1.2271799E-02 3.1485692E-01 11 4.0204878E-01 4.0525428E-04 4.0517068E-01 12 1.6334300E-01 1.7651004E-04 3.2564620E-01 13 6.1263942E-02 4.7848294E-05 1.2670375E-01 3d+ 4d+ 1 1.5768777E+03 2.1556248E-04 -5.2034422E-05 2 4.5147393E+02 2.2123232E-03 -5.3640618E-04 3 1.7095470E+02 1.2961301E-02 -3.1478952E-03 4 7.4133517E+01 5.0574726E-02 -1.2382684E-02 5 3.4644621E+01 1.4097662E-01 -3.4870452E-02 6 1.6955835E+01 2.7267625E-01 -6.7239894E-02 7 8.4205277E+00 3.5965585E-01 -8.4188489E-02 8 4.1997423E+00 2.9475521E-01 -5.1404455E-02 9 2.0526386E+00 1.1323053E-01 1.0136735E-01 10 9.3349011E-01 1.2897174E-02 3.0966922E-01 11 4.0204878E-01 4.1126778E-04 4.0465826E-01 12 1.6334300E-01 1.8976212E-04 3.3052177E-01 13 6.1263942E-02 4.9370886E-05 1.3303108E-01 Small component functions ------------------------- 1s+ 2s+ 3s+ 4s+ 5s+ 1 8.3076752E+07 -2.1083716E-05 6.9786972E-06 -2.9283473E-06 1.1259560E-06 -2.8353185E-07 2 2.0010418E+07 -7.7527406E-05 2.5656530E-05 -1.0764986E-05 4.1361040E-06 -1.0407326E-06 3 5.9881470E+06 -1.7695814E-04 5.8581870E-05 -2.4582302E-05 9.4526979E-06 -2.3805134E-06 4 1.9697165E+06 -3.7824844E-04 1.2520374E-04 -5.2534232E-05 2.0182063E-05 -5.0775465E-06 5 7.0078018E+05 -7.5308837E-04 2.4944441E-04 -1.0468125E-04 4.0258904E-05 -1.0139906E-05 6 2.6515103E+05 -1.4410439E-03 4.7746076E-04 -2.0036260E-04 7.6964498E-05 -1.9360562E-05 7 1.0593624E+05 -2.6472337E-03 8.7869969E-04 -3.6886459E-04 1.4188913E-04 -3.5743213E-05 8 4.4377186E+04 -4.7006220E-03 1.5640729E-03 -6.5672821E-04 2.5224818E-04 -6.3442716E-05 9 1.9387253E+04 -8.0534290E-03 2.6971997E-03 -1.1336625E-03 4.3626626E-04 -1.0992667E-04 10 8.7925688E+03 -1.3264544E-02 4.4940694E-03 -1.8916972E-03 7.2674387E-04 -1.8274728E-04 11 4.1237081E+03 -2.0735832E-02 7.2029857E-03 -3.0429917E-03 1.1724582E-03 -2.9555922E-04 12 1.9932161E+03 -3.0028055E-02 1.0923613E-02 -4.6440728E-03 1.7865919E-03 -4.4917993E-04 13 9.8975031E+02 -3.8444726E-02 1.5304156E-02 -6.5919523E-03 2.5502246E-03 -6.4359548E-04 14 5.0336183E+02 -4.0014220E-02 1.8698141E-02 -8.2459855E-03 3.1899598E-03 -8.0191147E-04 15 2.6123246E+02 -2.9029591E-02 1.7653063E-02 -8.1232764E-03 3.1876603E-03 -8.0772640E-04 16 1.3726888E+02 -1.1412731E-02 7.5569282E-03 -3.6565689E-03 1.4237251E-03 -3.5455350E-04 17 7.0478662E+01 -1.4901239E-03 -1.0163980E-02 6.0496716E-03 -2.4406053E-03 6.1158458E-04 18 3.7837251E+01 4.1234501E-06 -1.9667945E-02 1.5328390E-02 -6.6765379E-03 1.7222246E-03 19 2.0360426E+01 -1.8103302E-05 -1.1148115E-02 1.1754923E-02 -5.2600743E-03 1.3373458E-03 20 1.0685521E+01 7.2579440E-06 -1.8755887E-03 -2.5688477E-03 1.2426561E-03 -2.9472151E-04 21 5.6926558E+00 -2.0843958E-06 -4.6219084E-05 -1.0449540E-02 7.3215825E-03 -2.0653943E-03 22 3.0281666E+00 1.0566209E-06 -1.7476616E-05 -4.9489544E-03 5.7720818E-03 -1.6730555E-03 23 1.4557507E+00 -3.7013557E-07 4.0542332E-06 -4.0904146E-04 -2.1575270E-03 7.7083236E-04 24 7.4115396E-01 1.1979870E-07 -8.0592920E-07 6.5880110E-06 -4.1974183E-03 1.7165926E-03 25 3.5429360E-01 -3.2589660E-08 3.2779708E-07 -4.8630860E-06 -1.2346453E-03 9.3255918E-04 26 9.8104113E-02 6.1421632E-09 -5.3232067E-08 4.2367642E-07 -2.6449952E-05 -6.3610031E-04 27 4.7928156E-02 -2.9899502E-09 2.6432840E-08 -1.9912793E-07 4.8417091E-06 -8.6292966E-04 28 2.2120175E-02 6.0751704E-10 -5.7642739E-09 4.4150948E-08 -1.0786834E-06 -2.2999494E-04 2p- 3p- 4p- 5p- 1 7.0900120E+05 -1.6189251E-05 6.9846964E-06 -2.4853568E-06 6.2679225E-07 2 1.0360723E+05 -7.1265583E-05 3.0756893E-05 -1.0952122E-05 2.7713503E-06 3 2.2853176E+04 -2.6026354E-04 1.1259826E-04 -4.0078175E-05 1.0101365E-05 4 6.5214998E+03 -8.2828632E-04 3.5885188E-04 -1.2786739E-04 3.2365581E-05 5 2.2392140E+03 -2.2962387E-03 1.0009705E-03 -3.5671189E-04 8.9908554E-05 6 8.7512115E+02 -5.5522610E-03 2.4449156E-03 -8.7350357E-04 2.2120615E-04 7 3.7475174E+02 -1.1482509E-02 5.1841006E-03 -1.8578933E-03 4.6843154E-04 8 1.7155723E+02 -1.9241375E-02 9.0355972E-03 -3.2628653E-03 8.2795863E-04 9 8.2256703E+01 -2.3784513E-02 1.1838279E-02 -4.3138182E-03 1.0875723E-03 10 4.0797559E+01 -1.8420910E-02 9.2215604E-03 -3.3723792E-03 8.6331292E-04 11 2.0560501E+01 -6.6105305E-03 -9.7470228E-04 7.8944017E-04 -2.2972591E-04 12 1.0539982E+01 -7.0736766E-04 -9.8085341E-03 4.6287507E-03 -1.1829906E-03 13 5.4400397E+00 -2.0351938E-05 -9.1488887E-03 5.0355206E-03 -1.3817903E-03 14 2.8356638E+00 2.8160853E-05 -2.9873975E-03 8.4799946E-04 -1.1832055E-04 15 1.4255850E+00 1.0569190E-05 -2.5688191E-04 -3.7471880E-03 1.1302099E-03 16 6.9738182E-01 9.4576614E-06 -6.1356632E-06 -3.5672050E-03 1.3388147E-03 17 3.3033651E-01 5.4144304E-06 -1.4534691E-06 -1.1613887E-03 2.4522729E-04 18 1.1664749E-01 3.5929275E-06 -2.3117919E-07 -7.0928688E-05 -1.0109235E-03 19 4.9014704E-02 6.5303199E-07 -6.1635857E-08 5.7598905E-06 -1.0151615E-03 20 2.0358735E-02 1.3913023E-06 -9.9874099E-08 -1.1964227E-06 -2.5021236E-04 2p+ 3p+ 4p+ 5p+ 1 7.0900120E+05 -3.6053717E-06 1.5622212E-06 -5.5393471E-07 1.3885919E-07 2 1.0360723E+05 -2.8971934E-05 1.2529984E-05 -4.4505727E-06 1.1263179E-06 3 2.2853176E+04 -1.5294677E-04 6.6291198E-05 -2.3518966E-05 5.9102483E-06 4 6.5214998E+03 -5.9860373E-04 2.5962197E-04 -9.2228865E-05 2.3307157E-05 5 2.2392140E+03 -1.8691159E-03 8.1541464E-04 -2.8964345E-04 7.2848100E-05 6 8.7512115E+02 -4.8582840E-03 2.1405011E-03 -7.6228723E-04 1.9264238E-04 7 3.7475174E+02 -1.0543690E-02 4.7601633E-03 -1.7002844E-03 4.2789031E-04 8 1.7155723E+02 -1.8353527E-02 8.6158386E-03 -3.1006203E-03 7.8493091E-04 9 8.2256703E+01 -2.3512278E-02 1.1700903E-02 -4.2491940E-03 1.0697067E-03 10 4.0797559E+01 -1.9012880E-02 9.6816609E-03 -3.5398385E-03 9.0292155E-04 11 2.0560501E+01 -7.2696818E-03 -1.3219450E-04 4.2563971E-04 -1.3314268E-04 12 1.0539982E+01 -9.0632568E-04 -9.3107328E-03 4.3643685E-03 -1.1144726E-03 13 5.4400397E+00 -6.4027210E-05 -9.2938562E-03 5.0700065E-03 -1.3803485E-03 14 2.8356638E+00 6.6857086E-06 -3.2535163E-03 1.1691357E-03 -2.2078471E-04 15 1.4255850E+00 -3.9926431E-06 -3.0662401E-04 -3.5249357E-03 1.0606378E-03 16 6.9738182E-01 1.6425307E-06 -6.7985055E-06 -3.6002609E-03 1.3246664E-03 17 3.3033651E-01 -4.2781755E-07 -1.2059379E-06 -1.2693015E-03 3.3019281E-04 18 1.1664749E-01 1.0709510E-07 3.0925385E-08 -8.6864059E-05 -9.4010139E-04 19 4.9014704E-02 -3.5555329E-08 -1.2410477E-08 7.4257310E-06 -1.0294241E-03 20 2.0358735E-02 7.3462495E-09 2.9742745E-09 -1.7036679E-06 -2.7555793E-04 3d- 4d- 1 1.5768777E+03 -8.7507630E-05 2.1266926E-05 2 4.5147393E+02 -4.7257937E-04 1.1534582E-04 3 1.7095470E+02 -1.6831837E-03 4.1156105E-04 4 7.4133517E+01 -4.2857297E-03 1.0564316E-03 5 3.4644621E+01 -8.1151684E-03 2.0208305E-03 6 1.6955835E+01 -1.0916961E-02 2.7084678E-03 7 8.4205277E+00 -1.0065468E-02 2.3665415E-03 8 4.1997423E+00 -5.7567654E-03 9.8781043E-04 9 2.0526386E+00 -1.5200012E-03 -1.4659772E-03 10 9.3349011E-01 -1.1343734E-04 -2.9363810E-03 11 4.0204878E-01 -2.0725310E-06 -2.4799517E-03 12 1.6334300E-01 -5.6159626E-07 -1.2704825E-03 13 6.1263942E-02 -5.8202859E-08 -3.0273092E-04 3d+ 4d+ 1 1.5768777E+03 -7.8116642E-05 1.8850092E-05 2 4.5147393E+02 -4.4312837E-04 1.0741656E-04 3 1.7095470E+02 -1.6183078E-03 3.9294381E-04 4 7.4133517E+01 -4.1825768E-03 1.0238562E-03 5 3.4644621E+01 -7.9935561E-03 1.9768475E-03 6 1.6955835E+01 -1.0830957E-02 2.6704632E-03 7 8.4205277E+00 -1.0072692E-02 2.3575502E-03 8 4.1997423E+00 -5.8316032E-03 1.0170313E-03 9 2.0526386E+00 -1.5662926E-03 -1.4017214E-03 10 9.3349011E-01 -1.2032000E-04 -2.8881528E-03 11 4.0204878E-01 -2.5140624E-06 -2.4769012E-03 12 1.6334300E-01 -7.4177915E-07 -1.2895398E-03 13 6.1263942E-02 -1.1753120E-07 -3.1786421E-04 ** Mo 98 ** Large component functions ------------------------- 1s+ 2s+ 3s+ 4s+ 5s+ 1 8.1859307E+07 1.0291704E-05 -3.4242786E-06 1.4471011E-06 -5.6694491E-07 1.4307188E-07 2 1.9969964E+07 2.8360600E-05 -9.4501669E-06 3.9944008E-06 -1.5647013E-06 3.9476525E-07 3 6.0552677E+06 6.9293549E-05 -2.3134398E-05 9.7811989E-06 -3.8327277E-06 9.6733839E-07 4 2.0146275E+06 1.6109561E-04 -5.3922333E-05 2.2805729E-05 -8.9336017E-06 2.2536068E-06 5 7.2384174E+05 3.7367414E-04 -1.2549958E-04 5.3104322E-05 -2.0814664E-05 5.2545160E-06 6 2.7606314E+05 8.6896207E-04 -2.9287643E-04 1.2398239E-04 -4.8566770E-05 1.2248838E-05 7 1.1099417E+05 2.0322889E-03 -6.8803646E-04 2.9145738E-04 -1.1428613E-04 2.8860194E-05 8 4.6730267E+04 4.7516516E-03 -1.6163596E-03 6.8509558E-04 -2.6836172E-04 6.7661238E-05 9 2.0500765E+04 1.0993694E-02 -3.7693458E-03 1.5995216E-03 -6.2757800E-04 1.5854883E-04 10 9.3312422E+03 2.4829148E-02 -8.6174862E-03 3.6626189E-03 -1.4349697E-03 3.6166201E-04 11 4.3900124E+03 5.3695972E-02 -1.9100440E-02 8.1471061E-03 -3.2007077E-03 8.0913656E-04 12 2.1270620E+03 1.0804488E-01 -4.0193111E-02 1.7249887E-02 -6.7672466E-03 1.7049533E-03 13 1.0578071E+03 1.9255695E-01 -7.8180777E-02 3.3982774E-02 -1.3405056E-02 3.3934351E-03 14 5.3829968E+02 2.7913126E-01 -1.3246515E-01 5.8920422E-02 -2.3243175E-02 5.8533041E-03 15 2.7932575E+02 2.8250121E-01 -1.7346711E-01 8.0437320E-02 -3.2181307E-02 8.1855100E-03 16 1.4667408E+02 1.5583097E-01 -1.0487306E-01 5.1032521E-02 -2.0270391E-02 5.0416487E-03 17 7.5248296E+01 2.9247571E-02 1.8593543E-01 -1.1195840E-01 4.6120488E-02 -1.1540474E-02 18 4.0402130E+01 -1.3390974E-04 5.0346478E-01 -3.9484793E-01 1.7561699E-01 -4.5549796E-02 19 2.1746456E+01 6.8949858E-04 3.9556829E-01 -4.1987028E-01 1.9221238E-01 -4.8862237E-02 20 1.1433787E+01 -3.8598014E-04 9.3884737E-02 1.1592018E-01 -5.6857537E-02 1.3011966E-02 21 6.1164585E+00 1.6206795E-04 3.1822632E-03 6.9604636E-01 -5.0379971E-01 1.4387723E-01 22 3.2704127E+00 -1.1012936E-04 1.6229721E-03 4.5371529E-01 -5.3836208E-01 1.5573710E-01 23 1.5930380E+00 5.5478960E-05 -5.5644504E-04 5.5368408E-02 2.9934475E-01 -1.0644522E-01 24 8.0957104E-01 -2.4719271E-05 1.4492726E-04 -7.4859084E-04 7.7755099E-01 -3.2609051E-01 25 3.8649346E-01 9.4794777E-06 -8.5338413E-05 1.2285704E-03 3.2086645E-01 -2.3416439E-01 26 1.0670795E-01 -3.2660679E-06 2.4377587E-05 -1.8116072E-04 1.2748152E-02 3.3563423E-01 27 5.1047013E-02 2.2179005E-06 -1.6244715E-05 1.1576989E-04 -2.8461240E-03 6.1797406E-01 28 2.3269661E-02 -6.6128623E-07 5.1056593E-06 -4.1112987E-05 1.1705086E-03 2.3512464E-01 2p- 3p- 4p- 5p- 1 8.1385136E+05 7.0449838E-05 -3.0621621E-05 1.1165499E-05 -2.7693532E-06 2 1.1870907E+05 2.3060385E-04 -1.0027010E-04 3.6565798E-05 -9.0722501E-06 3 2.6008975E+04 7.0035851E-04 -3.0495966E-04 1.1121645E-04 -2.7569833E-05 4 7.3523102E+03 2.2038354E-03 -9.6214056E-04 3.5116998E-04 -8.7219618E-05 5 2.5021830E+03 7.4041175E-03 -3.2524797E-03 1.1876122E-03 -2.9412701E-04 6 9.7114314E+02 2.4540715E-02 -1.0894964E-02 3.9883514E-03 -9.9184255E-04 7 4.1373202E+02 7.2987168E-02 -3.3187217E-02 1.2186088E-02 -3.0178292E-03 8 1.8869861E+02 1.7781001E-01 -8.4055357E-02 3.1102944E-02 -7.7525453E-03 9 9.0259179E+01 3.1939893E-01 -1.5979644E-01 5.9659442E-02 -1.4773416E-02 10 4.4697728E+01 3.6031308E-01 -1.8286424E-01 6.8662530E-02 -1.7267720E-02 11 2.2523861E+01 1.9151895E-01 1.1669965E-02 -1.5881525E-02 4.7711393E-03 12 1.1527733E+01 3.2670200E-02 3.6263907E-01 -1.7672748E-01 4.4435401E-02 13 5.9449809E+00 3.0084945E-03 4.8849596E-01 -2.7685204E-01 7.4826114E-02 14 3.0995115E+00 -4.3250537E-04 2.2363459E-01 -6.5595265E-02 8.8794399E-03 15 1.5655385E+00 3.5823909E-04 2.7158307E-02 3.9530424E-01 -1.1829478E-01 16 7.6646767E-01 -2.1705172E-04 1.0097426E-03 5.2560771E-01 -1.9431587E-01 17 3.6210563E-01 7.7422190E-05 2.0840864E-04 2.4094255E-01 -4.1892953E-02 18 1.2631793E-01 -3.2682855E-05 8.3123886E-06 2.3700542E-02 3.6377380E-01 19 5.2324136E-02 1.6382306E-05 -1.3452022E-06 -3.0033447E-03 5.5807603E-01 20 2.1474498E-02 -5.2063693E-06 -7.8412294E-08 1.0434182E-03 2.1656380E-01 2p+ 3p+ 4p+ 5p+ 1 8.1385136E+05 1.2188745E-06 -5.3341384E-07 1.9391897E-07 -4.7739327E-08 2 1.1870907E+05 1.5714314E-05 -6.8779516E-06 2.5038282E-06 -6.2012282E-07 3 2.6008975E+04 1.4044047E-04 -6.1585295E-05 2.2397967E-05 -5.5159551E-06 4 7.3523102E+03 9.2899008E-04 -4.0789337E-04 1.4854658E-04 -3.6771714E-05 5 2.5021830E+03 4.7324913E-03 -2.0887953E-03 7.6055281E-04 -1.8739548E-04 6 9.7114314E+02 1.9322389E-02 -8.6113201E-03 3.1437294E-03 -7.7834814E-04 7 4.1373202E+02 6.3854650E-02 -2.9121210E-02 1.0660983E-02 -2.6281955E-03 8 1.8869861E+02 1.6552358E-01 -7.8446759E-02 2.8938379E-02 -7.1777284E-03 9 9.0259179E+01 3.1140641E-01 -1.5622428E-01 5.8143962E-02 -1.4339917E-02 10 4.4697728E+01 3.6816205E-01 -1.9049295E-01 7.1523584E-02 -1.7876740E-02 11 2.2523861E+01 2.0764566E-01 -1.1511876E-02 -5.5878933E-03 2.0776766E-03 12 1.1527733E+01 3.8786814E-02 3.4225873E-01 -1.6564994E-01 4.1506779E-02 13 5.9449809E+00 3.4812863E-03 4.9613408E-01 -2.7864190E-01 7.4498369E-02 14 3.0995115E+00 -4.1931076E-04 2.4432920E-01 -9.1051090E-02 1.6876694E-02 15 1.5655385E+00 3.6843350E-04 3.2771765E-02 3.7110335E-01 -1.1052119E-01 16 7.6646767E-01 -2.2659594E-04 1.2359147E-03 5.3140656E-01 -1.9201191E-01 17 3.6210563E-01 8.0449733E-05 2.4841825E-04 2.6484630E-01 -6.0962584E-02 18 1.2631793E-01 -3.4202169E-05 9.7977087E-06 2.9217505E-02 3.3692740E-01 19 5.2324136E-02 1.7123390E-05 -1.2975142E-06 -3.9590138E-03 5.6607573E-01 20 2.1474498E-02 -5.4430604E-06 -1.2222186E-07 1.3627413E-03 2.4022459E-01 3d- 4d- 1 1.7056619E+03 2.9524732E-04 -7.7475085E-05 2 4.8693565E+02 2.4541583E-03 -6.4536126E-04 3 1.8411916E+02 1.3571331E-02 -3.5826847E-03 4 7.9811950E+01 5.1781108E-02 -1.3760599E-02 5 3.7310297E+01 1.4323725E-01 -3.8548121E-02 6 1.8276931E+01 2.7617930E-01 -7.3893273E-02 7 9.0928814E+00 3.6193264E-01 -9.2061407E-02 8 4.5497692E+00 2.9014176E-01 -5.0848378E-02 9 2.2343989E+00 1.0636376E-01 1.1992976E-01 10 1.0351935E+00 1.1460110E-02 3.3004650E-01 11 4.5421317E-01 6.1545348E-04 4.0343858E-01 12 1.8764740E-01 1.6539789E-04 3.0564843E-01 13 7.1293252E-02 7.4015601E-05 1.1050439E-01 3d+ 4d+ 1 1.7056619E+03 2.0921082E-04 -5.4512931E-05 2 4.8693565E+02 2.1600836E-03 -5.6404187E-04 3 1.8411916E+02 1.2731300E-02 -3.3370073E-03 4 7.9811950E+01 5.0041731E-02 -1.3203638E-02 5 3.7310297E+01 1.4041578E-01 -3.7521228E-02 6 1.8276931E+01 2.7334727E-01 -7.2677542E-02 7 9.0928814E+00 3.6180747E-01 -9.1612452E-02 8 4.5497692E+00 2.9385773E-01 -5.2592501E-02 9 2.2343989E+00 1.0957654E-01 1.1470369E-01 10 1.0351935E+00 1.2068703E-02 3.2460776E-01 11 4.5421317E-01 6.3033252E-04 4.0327609E-01 12 1.8764740E-01 1.7768099E-04 3.1127351E-01 13 7.1293252E-02 7.7852522E-05 1.1713420E-01 Small component functions ------------------------- 1s+ 2s+ 3s+ 4s+ 5s+ 1 8.1859307E+07 -2.2508633E-05 7.4804104E-06 -3.1607826E-06 1.2386639E-06 -3.1271182E-07 2 1.9969964E+07 -8.2437953E-05 2.7391631E-05 -1.1573238E-05 4.5320135E-06 -1.1429768E-06 3 6.0552677E+06 -1.8624111E-04 6.1904313E-05 -2.6157836E-05 1.0251734E-05 -2.5884323E-06 4 2.0146275E+06 -3.9513432E-04 1.3132199E-04 -5.5486166E-05 2.1725221E-05 -5.4780801E-06 5 7.2384174E+05 -7.8111836E-04 2.5977966E-04 -1.0977997E-04 4.3030862E-05 -1.0866684E-05 6 2.7606314E+05 -1.4868075E-03 4.9462589E-04 -2.0901613E-04 8.1829489E-05 -2.0629651E-05 7 1.1099417E+05 -2.7192136E-03 9.0627987E-04 -3.8310160E-04 1.5019689E-04 -3.7937914E-05 8 4.6730267E+04 -4.8103978E-03 1.6071247E-03 -6.7952472E-04 2.6601449E-04 -6.7048249E-05 9 2.0500765E+04 -8.2134247E-03 2.7619305E-03 -1.1689899E-03 4.5850705E-04 -1.1585033E-04 10 9.3312422E+03 -1.3488720E-02 4.5878568E-03 -1.9446775E-03 7.6144449E-04 -1.9186687E-04 11 4.3900124E+03 -2.1047859E-02 7.3372888E-03 -3.1213226E-03 1.2257667E-03 -3.0988631E-04 12 2.1270620E+03 -3.0488695E-02 1.1121039E-02 -4.7606556E-03 1.8666607E-03 -4.7021844E-04 13 1.0578071E+03 -3.9159752E-02 1.5604559E-02 -6.7667726E-03 2.6682396E-03 -6.7545063E-04 14 5.3829968E+02 -4.1055634E-02 1.9145386E-02 -8.4979836E-03 3.3509677E-03 -8.4379186E-04 15 2.7932575E+02 -3.0179316E-02 1.8243252E-02 -8.4459801E-03 3.3781511E-03 -8.5922876E-04 16 1.4667408E+02 -1.2116909E-02 8.0830690E-03 -3.9351175E-03 1.5633671E-03 -3.8891836E-04 17 7.5248296E+01 -1.6322189E-03 -1.0130737E-02 6.0792378E-03 -2.5025032E-03 6.2603330E-04 18 4.0402130E+01 5.7669285E-06 -2.0235025E-02 1.5831872E-02 -7.0390719E-03 1.8256521E-03 19 2.1746456E+01 -2.0683355E-05 -1.1681067E-02 1.2377534E-02 -5.6656927E-03 1.4402754E-03 20 1.1433787E+01 8.4032755E-06 -2.0115032E-03 -2.4694266E-03 1.2097072E-03 -2.7663297E-04 21 6.1164585E+00 -2.5932776E-06 -4.9606996E-05 -1.0879931E-02 7.8714634E-03 -2.2478281E-03 22 3.2704127E+00 1.2836937E-06 -1.8699877E-05 -5.1875354E-03 6.1533293E-03 -1.7800329E-03 23 1.5930380E+00 -4.5179769E-07 4.5077876E-06 -4.4185451E-04 -2.3872890E-03 8.4884457E-04 24 8.0957104E-01 1.4379991E-07 -8.5634342E-07 4.2649501E-06 -4.4215229E-03 1.8542029E-03 25 3.8649346E-01 -3.8079427E-08 3.4650414E-07 -4.8299545E-06 -1.2607109E-03 9.2000928E-04 26 1.0670795E-01 6.9171811E-09 -5.4233775E-08 3.7466918E-07 -2.6321384E-05 -6.9287697E-04 27 5.1047013E-02 -3.2582509E-09 2.5911116E-08 -1.6573693E-07 4.0659321E-06 -8.8237547E-04 28 2.3269661E-02 6.5918572E-10 -5.7938211E-09 3.9763961E-08 -1.1290303E-06 -2.2666764E-04 2p- 3p- 4p- 5p- 1 8.1385136E+05 -1.6197846E-05 7.0501286E-06 -2.5705156E-06 6.3668673E-07 2 1.1870907E+05 -7.0246453E-05 3.0592725E-05 -1.1163217E-05 2.7745721E-06 3 2.6008975E+04 -2.5450162E-04 1.1107924E-04 -4.0512599E-05 1.0027842E-05 4 7.3523102E+03 -8.0962830E-04 3.5396143E-04 -1.2924888E-04 3.2135190E-05 5 2.5021830E+03 -2.2521076E-03 9.9020940E-04 -3.6157732E-04 8.9500694E-05 6 9.7114314E+02 -5.4767048E-03 2.4322312E-03 -8.9047436E-04 2.2150999E-04 7 4.1373202E+02 -1.1422435E-02 5.1951419E-03 -1.9076309E-03 4.7235308E-04 8 1.8869861E+02 -1.9392544E-02 9.1715917E-03 -3.3940496E-03 8.4605250E-04 9 9.0259179E+01 -2.4426199E-02 1.2231505E-02 -4.5671121E-03 1.1309102E-03 10 4.4697728E+01 -1.9485934E-02 9.9102934E-03 -3.7226213E-03 9.3628373E-04 11 2.2523861E+01 -7.3196323E-03 -4.6455140E-04 6.1674785E-04 -1.8508598E-04 12 1.1527733E+01 -8.4160529E-04 -1.0048601E-02 4.8942549E-03 -1.2305166E-03 13 5.9449809E+00 -2.0356844E-05 -9.7220216E-03 5.5079301E-03 -1.4885940E-03 14 3.0995115E+00 3.0157972E-05 -3.2151354E-03 9.4438526E-04 -1.2817159E-04 15 1.5655385E+00 1.2277833E-05 -2.7846210E-04 -4.0337281E-03 1.2071178E-03 16 7.6646767E-01 1.0401201E-05 -7.8736335E-06 -3.7535195E-03 1.3877339E-03 17 3.6210563E-01 6.1710853E-06 -1.4928648E-06 -1.1823234E-03 2.0555612E-04 18 1.2631793E-01 3.9869384E-06 -3.0943527E-07 -6.8347736E-05 -1.0548949E-03 19 5.2324136E-02 7.6520347E-07 -5.4038458E-08 5.6817284E-06 -1.0415262E-03 20 2.1474498E-02 1.5025939E-06 -1.0908458E-07 -1.1020595E-06 -2.5894541E-04 2p+ 3p+ 4p+ 5p+ 1 8.1385136E+05 -3.3379930E-06 1.4594822E-06 -5.3015084E-07 1.3011791E-07 2 1.1870907E+05 -2.6934640E-05 1.1762187E-05 -4.2815911E-06 1.0618268E-06 3 2.6008975E+04 -1.4385212E-04 6.2922149E-05 -2.2871619E-05 5.6289930E-06 4 7.3523102E+03 -5.7080813E-04 2.4991785E-04 -9.0978465E-05 2.2525909E-05 5 2.5021830E+03 -1.8044680E-03 7.9423498E-04 -2.8904868E-04 7.1206251E-05 6 9.7114314E+02 -4.7433329E-03 2.1083294E-03 -7.6936631E-04 1.9048879E-04 7 4.1373202E+02 -1.0417460E-02 4.7392433E-03 -1.7342809E-03 4.2750635E-04 8 1.8869861E+02 -1.8416113E-02 8.7091378E-03 -3.2116558E-03 7.9658619E-04 9 9.0259179E+01 -2.4083931E-02 1.2060176E-02 -4.4873127E-03 1.1066467E-03 10 4.4697728E+01 -2.0092297E-02 1.0382229E-02 -3.8976680E-03 9.7417811E-04 11 2.2523861E+01 -8.0545665E-03 4.5516259E-04 2.1158572E-04 -7.9210272E-05 12 1.1527733E+01 -1.0765353E-03 -9.4759244E-03 4.5848933E-03 -1.1487831E-03 13 5.9449809E+00 -6.9463138E-05 -9.8703192E-03 5.5419322E-03 -1.4816677E-03 14 3.0995115E+00 6.0962702E-06 -3.5107336E-03 1.3084417E-03 -2.4260825E-04 15 1.5655385E+00 -3.7989124E-06 -3.3460018E-04 -3.7881092E-03 1.1281245E-03 16 7.6646767E-01 1.6362371E-06 -8.8595284E-06 -3.7957700E-03 1.3714745E-03 17 3.6210563E-01 -4.0165838E-07 -1.2078883E-06 -1.3003152E-03 2.9930903E-04 18 1.2631793E-01 1.0148391E-07 -3.2752382E-08 -8.4722880E-05 -9.7698184E-04 19 5.2324136E-02 -3.3109990E-08 4.6759610E-09 7.3878281E-06 -1.0564433E-03 20 2.1474498E-02 6.8870762E-09 -6.1615584E-10 -1.6289895E-06 -2.8721049E-04 3d- 4d- 1 1.7056619E+03 -8.8611736E-05 2.3254135E-05 2 4.8693565E+02 -4.8024959E-04 1.2628975E-04 3 1.8411916E+02 -1.7184151E-03 4.5364648E-04 4 7.9811950E+01 -4.4044205E-03 1.1704590E-03 5 3.7310297E+01 -8.3931129E-03 2.2588421E-03 6 1.8276931E+01 -1.1364832E-02 3.0410639E-03 7 9.0928814E+00 -1.0519873E-02 2.6761997E-03 8 4.5497692E+00 -5.9684864E-03 1.0463599E-03 9 2.2343989E+00 -1.5321226E-03 -1.7301603E-03 10 1.0351935E+00 -1.1140537E-04 -3.2413484E-03 11 4.5421317E-01 -3.5239164E-06 -2.6246435E-03 12 1.8764740E-01 -5.4111014E-07 -1.2780960E-03 13 7.1293252E-02 -1.2121995E-07 -2.8481407E-04 3d+ 4d+ 1 1.7056619E+03 -7.8550169E-05 2.0461036E-05 2 4.8693565E+02 -4.4856258E-04 1.1709488E-04 3 1.8411916E+02 -1.6483017E-03 4.3192612E-04 4 7.9811950E+01 -4.2923579E-03 1.1322924E-03 5 3.7310297E+01 -8.2609130E-03 2.2070025E-03 6 1.8276931E+01 -1.1271893E-02 2.9965015E-03 7 9.0928814E+00 -1.0529541E-02 2.6658206E-03 8 4.5497692E+00 -6.0513559E-03 1.0830762E-03 9 2.2343989E+00 -1.5814660E-03 -1.6548559E-03 10 1.0351935E+00 -1.1857029E-04 -3.1881306E-03 11 4.5421317E-01 -4.0969755E-06 -2.6236946E-03 12 1.8764740E-01 -7.4475003E-07 -1.3016619E-03 13 7.1293252E-02 -2.0013381E-07 -3.0192172E-04 ** Tc 98 ** Large component functions ------------------------- 1s+ 2s+ 3s+ 4s+ 5s+ 1 8.3302893E+07 1.1002148E-05 -3.6753401E-06 1.5634916E-06 -6.2324577E-07 1.6423064E-07 2 2.0626224E+07 2.9856738E-05 -9.9889081E-06 4.2501252E-06 -1.6940070E-06 4.4635883E-07 3 6.3571419E+06 7.1757241E-05 -2.4053392E-05 1.0237183E-05 -4.0814499E-06 1.0755458E-06 4 2.1460866E+06 1.6396479E-04 -5.5106147E-05 2.3461240E-05 -9.3513645E-06 2.4639664E-06 5 7.8096235E+05 3.7391896E-04 -1.2609384E-04 5.3710160E-05 -2.1419424E-05 5.6448732E-06 6 3.0100666E+05 8.5477957E-04 -2.8930634E-04 1.2328787E-04 -4.9142263E-05 1.2947877E-05 7 1.2207954E+05 1.9674448E-03 -6.6890487E-04 2.8524258E-04 -1.1379820E-04 2.9993669E-05 8 5.1760564E+04 4.5351219E-03 -1.5494071E-03 6.6111737E-04 -2.6352544E-04 6.9429138E-05 9 2.2837348E+04 1.0372903E-02 -3.5710915E-03 1.5254810E-03 -6.0893604E-04 1.6052095E-04 10 1.0439933E+04 2.3250109E-02 -8.0987302E-03 3.4649259E-03 -1.3814576E-03 3.6394848E-04 11 4.9257751E+03 5.0148767E-02 -1.7875582E-02 7.6734804E-03 -3.0667862E-03 8.0864894E-04 12 2.3903707E+03 1.0125289E-01 -3.7640209E-02 1.6252425E-02 -6.4884729E-03 1.7095793E-03 13 1.1892957E+03 1.8264965E-01 -7.3671074E-02 3.2191332E-02 -1.2914598E-02 3.4077540E-03 14 6.0488368E+02 2.7167609E-01 -1.2689053E-01 5.6664391E-02 -2.2746416E-02 5.9968981E-03 15 3.1340417E+02 2.8841818E-01 -1.7233650E-01 8.0073828E-02 -3.2551572E-02 8.6105526E-03 16 1.6416738E+02 1.7214016E-01 -1.2027606E-01 5.8751457E-02 -2.3830337E-02 6.2801590E-03 17 8.4318370E+01 3.6687140E-02 1.4912091E-01 -8.9570763E-02 3.7472522E-02 -9.9114622E-03 18 4.5292673E+01 4.2460578E-05 4.8643126E-01 -3.7271125E-01 1.6790420E-01 -4.5162196E-02 19 2.4410320E+01 8.9589729E-04 4.2424317E-01 -4.4648818E-01 2.0857141E-01 -5.6121743E-02 20 1.2954950E+01 -4.9288579E-04 1.1543523E-01 4.7243500E-02 -2.2453139E-02 5.3826092E-03 21 6.8911132E+00 2.2488975E-04 5.5488295E-03 6.8115549E-01 -4.8691514E-01 1.4275565E-01 22 3.6911962E+00 -1.5300797E-04 1.6370687E-03 5.0048557E-01 -5.9014785E-01 1.8279934E-01 23 1.8268178E+00 7.9271476E-05 -5.4359049E-04 7.0448194E-02 2.3971134E-01 -9.6907382E-02 24 9.3686426E-01 -3.7061203E-05 1.3368420E-04 -5.9499607E-04 7.8123414E-01 -3.2990866E-01 25 4.5399640E-01 1.4416308E-05 -9.0795811E-05 1.4859051E-03 3.6783079E-01 -2.7120002E-01 26 1.3741544E-01 -4.8508890E-06 2.4369019E-05 -2.0439337E-04 2.0042162E-02 2.6886449E-01 27 6.3267678E-02 2.9671638E-06 -1.3611440E-05 9.8209573E-05 -2.8046001E-03 6.4244827E-01 28 2.8132239E-02 -8.6980999E-07 4.9509471E-06 -4.9790657E-05 2.2937859E-03 2.8832269E-01 2p- 3p- 4p- 5p- 1 9.4254817E+05 6.9678690E-05 -3.0541480E-05 1.1392602E-05 -2.6803391E-06 2 1.3725624E+05 2.2707708E-04 -9.9568590E-05 3.7146151E-05 -8.7419993E-06 3 2.9872868E+04 6.8235345E-04 -2.9957905E-04 1.1176501E-04 -2.6281725E-05 4 8.3654334E+03 2.1061943E-03 -9.2720168E-04 3.4622546E-04 -8.1563939E-05 5 2.8219648E+03 6.9578622E-03 -3.0806705E-03 1.1506377E-03 -2.7032095E-04 6 1.0876972E+03 2.2930642E-02 -1.0260055E-02 3.8427023E-03 -9.0645609E-04 7 4.6096645E+02 6.8520331E-02 -3.1357347E-02 1.1775952E-02 -2.7662767E-03 8 2.0942669E+02 1.6928990E-01 -8.0511608E-02 3.0479320E-02 -7.2062961E-03 9 9.9922642E+01 3.1110127E-01 -1.5634379E-01 5.9687923E-02 -1.4022170E-02 10 4.9403167E+01 3.6427288E-01 -1.8779425E-01 7.2340142E-02 -1.7251223E-02 11 2.4895991E+01 2.0528986E-01 -7.2372881E-03 -8.1194857E-03 2.6702969E-03 12 1.2703825E+01 3.8302618E-02 3.5015210E-01 -1.7562075E-01 4.1955767E-02 13 6.5381624E+00 3.0718036E-03 4.9762569E-01 -2.8917125E-01 7.4127612E-02 14 3.4076288E+00 -3.0008906E-04 2.3462766E-01 -7.4958979E-02 1.0685962E-02 15 1.7207611E+00 2.8480126E-04 2.9258949E-02 4.0357157E-01 -1.1537888E-01 16 8.4085673E-01 -1.8767200E-04 1.0639723E-03 5.3169523E-01 -1.8487008E-01 17 3.9543069E-01 6.2131620E-05 2.3973398E-04 2.3369720E-01 -3.8516376E-02 18 1.3601670E-01 -2.6934782E-05 1.6849808E-06 2.1233675E-02 3.5043072E-01 19 5.5558376E-02 1.3413782E-05 7.1153786E-09 -2.6235302E-03 5.5882795E-01 20 2.2521970E-02 -4.2626037E-06 -1.1020045E-06 9.1749859E-04 2.2973414E-01 2p+ 3p+ 4p+ 5p+ 1 9.4254817E+05 1.1014569E-06 -4.8619208E-07 1.8079132E-07 -4.2085982E-08 2 1.3725624E+05 1.3944318E-05 -6.1597226E-06 2.2946896E-06 -5.3740457E-07 3 2.9872868E+04 1.2435255E-04 -5.5006154E-05 2.0463189E-05 -4.7652560E-06 4 8.3654334E+03 8.2942284E-04 -3.6750855E-04 1.3695640E-04 -3.2057871E-05 5 2.8219648E+03 4.2736797E-03 -1.9022488E-03 7.0849239E-04 -1.6507217E-04 6 1.0876972E+03 1.7666398E-02 -7.9394395E-03 2.9657146E-03 -6.9430541E-04 7 4.6096645E+02 5.9220525E-02 -2.7194433E-02 1.0182225E-02 -2.3736748E-03 8 2.0942669E+02 1.5645975E-01 -7.4630274E-02 2.8167552E-02 -6.6059945E-03 9 9.9922642E+01 3.0200764E-01 -1.5223456E-01 5.7939480E-02 -1.3514663E-02 10 4.9403167E+01 3.7131591E-01 -1.9484527E-01 7.5022036E-02 -1.7723375E-02 11 2.4895991E+01 2.2242108E-01 -3.1129876E-02 2.6717313E-03 -3.4649772E-06 12 1.2703825E+01 4.5516393E-02 3.2752108E-01 -1.6321802E-01 3.8745508E-02 13 6.5381624E+00 3.6171199E-03 5.0457342E-01 -2.9048269E-01 7.3393388E-02 14 3.4076288E+00 -2.5501547E-04 2.5672378E-01 -1.0229914E-01 1.8815465E-02 15 1.7207611E+00 2.7715925E-04 3.5496336E-02 3.7762953E-01 -1.0716840E-01 16 8.4085673E-01 -1.8884777E-04 1.3083129E-03 5.3868160E-01 -1.8218549E-01 17 3.9543069E-01 6.1386482E-05 2.9095535E-04 2.5863553E-01 -5.7708274E-02 18 1.3601670E-01 -2.7098524E-05 6.2600343E-07 2.6549408E-02 3.2221951E-01 19 5.5558376E-02 1.3456348E-05 1.1520392E-06 -3.5550444E-03 5.6557517E-01 20 2.2521970E-02 -4.2734206E-06 -1.6197705E-06 1.2279400E-03 2.5579243E-01 3d- 4d- 1 2.0374105E+03 2.4278788E-04 -6.8197325E-05 2 5.7795724E+02 1.9938565E-03 -5.6206646E-04 3 2.1786437E+02 1.1168348E-02 -3.1558042E-03 4 9.4473257E+01 4.3754811E-02 -1.2458319E-02 5 4.4256388E+01 1.2525104E-01 -3.6063256E-02 6 2.1788708E+01 2.5422092E-01 -7.3334304E-02 7 1.0936056E+01 3.5359415E-01 -9.7317336E-02 8 5.5366584E+00 3.1123046E-01 -6.8389808E-02 9 2.7728058E+00 1.3338822E-01 9.1578627E-02 10 1.3188435E+00 1.9004553E-02 3.1114660E-01 11 5.9918137E-01 7.7290102E-04 4.0199061E-01 12 2.5820747E-01 3.0975494E-04 3.1583075E-01 13 1.0195617E-01 7.8617314E-05 1.3485339E-01 3d+ 4d+ 1 2.0374105E+03 1.6389873E-04 -4.5705736E-05 2 5.7795724E+02 1.7226245E-03 -4.8237399E-04 3 2.1786437E+02 1.0383205E-02 -2.9134393E-03 4 9.4473257E+01 4.2083464E-02 -1.1900192E-02 5 4.4256388E+01 1.2245473E-01 -3.5012582E-02 6 2.1788708E+01 2.5113757E-01 -7.2001420E-02 7 1.0936056E+01 3.5285818E-01 -9.6660598E-02 8 5.5366584E+00 3.1462911E-01 -6.9881284E-02 9 2.7728058E+00 1.3712989E-01 8.6448904E-02 10 1.3188435E+00 1.9964478E-02 3.0507010E-01 11 5.9918137E-01 7.9881604E-04 4.0122278E-01 12 2.5820747E-01 3.2927200E-04 3.2087320E-01 13 1.0195617E-01 8.3180119E-05 1.4257725E-01 Small component functions ------------------------- 1s+ 2s+ 3s+ 4s+ 5s+ 1 8.3302893E+07 -2.3379345E-05 7.8006723E-06 -3.3179176E-06 1.3229037E-06 -3.4863317E-07 2 2.0626224E+07 -8.5178142E-05 2.8415852E-05 -1.2085589E-05 4.8156083E-06 -1.2687421E-06 3 6.3571419E+06 -1.8988209E-04 6.3365499E-05 -2.6952436E-05 1.0747201E-05 -2.8323709E-06 4 2.1460866E+06 -3.9907744E-04 1.3316695E-04 -5.6638933E-05 2.2565613E-05 -5.9449305E-06 5 7.8096235E+05 -7.8181904E-04 2.6104481E-04 -1.1104440E-04 4.4284276E-05 -1.1671487E-05 6 3.0100666E+05 -1.4778759E-03 4.9363108E-04 -2.0997967E-04 8.3650285E-05 -2.2036683E-05 7 1.2207954E+05 -2.6872352E-03 8.9911084E-04 -3.8258181E-04 1.5260125E-04 -4.0221913E-05 8 5.1760564E+04 -4.7326280E-03 1.5872249E-03 -6.7555117E-04 2.6910931E-04 -7.0890253E-05 9 2.2837348E+04 -8.0556085E-03 2.7181289E-03 -1.1579824E-03 4.6206977E-04 -1.2180331E-04 10 1.0439933E+04 -1.3219189E-02 4.5087935E-03 -1.9235716E-03 7.6644482E-04 -2.0189693E-04 11 4.9257751E+03 -2.0677285E-02 7.2162547E-03 -3.0890460E-03 1.2340257E-03 -3.2537237E-04 12 2.3903707E+03 -3.0159755E-02 1.0982370E-02 -4.7291514E-03 1.8869769E-03 -4.9713009E-04 13 1.1892957E+03 -3.9294026E-02 1.5539387E-02 -6.7729994E-03 2.7160608E-03 -7.1664405E-04 14 6.0488368E+02 -4.2315902E-02 1.9401730E-02 -8.6445657E-03 3.4686190E-03 -9.1440508E-04 15 3.1340417E+02 -3.2633817E-02 1.9176553E-02 -8.8944928E-03 3.6146853E-03 -9.5611590E-04 16 1.6416738E+02 -1.4167633E-02 9.7920259E-03 -4.7829978E-03 1.9401754E-03 -5.1132371E-04 17 8.4318370E+01 -2.1690818E-03 -8.5810241E-03 5.1342045E-03 -2.1460920E-03 5.6754387E-04 18 4.5292673E+01 -1.5334141E-06 -2.0694246E-02 1.5815673E-02 -7.1220318E-03 1.9155477E-03 19 2.4410320E+01 -2.8482128E-05 -1.3273487E-02 1.3942799E-02 -6.5121757E-03 1.7522478E-03 20 1.2954950E+01 1.1426268E-05 -2.6328033E-03 -1.0653668E-03 5.0461884E-04 -1.2071961E-04 21 6.8911132E+00 -3.8139105E-06 -9.2073468E-05 -1.1300612E-02 8.0742334E-03 -2.3670620E-03 22 3.6911962E+00 1.8925419E-06 -2.0014442E-05 -6.0794420E-03 7.1659409E-03 -2.2196371E-03 23 1.8268178E+00 -6.8980477E-07 4.7069806E-06 -6.0203672E-04 -2.0469888E-03 8.2747224E-04 24 9.3686426E-01 2.3092909E-07 -8.4721098E-07 3.6389351E-06 -4.7789817E-03 2.0180030E-03 25 4.5399640E-01 -6.2398243E-08 3.9722828E-07 -6.3275769E-06 -1.5663802E-03 1.1548245E-03 26 1.3741544E-01 1.1513555E-08 -6.0655111E-08 4.7837112E-07 -4.6958374E-05 -6.2985542E-04 27 6.3267678E-02 -4.7587674E-09 2.3866808E-08 -1.5576744E-07 4.4605801E-06 -1.0212379E-03 28 2.8132239E-02 9.2286079E-10 -5.9526018E-09 5.2652585E-08 -2.4320402E-06 -3.0561716E-04 2p- 3p- 4p- 5p- 1 9.4254817E+05 -1.6076798E-05 7.0553506E-06 -2.6314256E-06 6.1826680E-07 2 1.3725624E+05 -6.8664960E-05 3.0161250E-05 -1.1260543E-05 2.6547531E-06 3 2.9872868E+04 -2.4654834E-04 1.0849621E-04 -4.0476744E-05 9.5035979E-06 4 8.3654334E+03 -7.8308305E-04 3.4530470E-04 -1.2901126E-04 3.0426634E-05 5 2.8219648E+03 -2.1840413E-03 9.6796671E-04 -3.6154133E-04 8.4887403E-05 6 1.0876972E+03 -5.3420016E-03 2.3912350E-03 -8.9572345E-04 2.1135857E-04 7 4.6096645E+02 -1.1247973E-02 5.1488881E-03 -1.9336160E-03 4.5415652E-04 8 2.0942669E+02 -1.9394794E-02 9.2282414E-03 -3.4938730E-03 8.2614027E-04 9 9.9922642E+01 -2.4999311E-02 1.2574806E-02 -4.8012777E-03 1.1278955E-03 10 4.9403167E+01 -2.0699405E-02 1.0693687E-02 -4.1209453E-03 9.8283708E-04 11 2.4895991E+01 -8.2499402E-03 2.7914897E-04 3.3310681E-04 -1.0919633E-04 12 1.2703825E+01 -1.0427948E-03 -1.0185601E-02 5.1053171E-03 -1.2195798E-03 13 6.5381624E+00 -1.9990543E-05 -1.0386187E-02 6.0330889E-03 -1.5464844E-03 14 3.4076288E+00 3.1287591E-05 -3.5369601E-03 1.1314666E-03 -1.6163087E-04 15 1.7207611E+00 1.4769208E-05 -3.1449593E-04 -4.3172606E-03 1.2343104E-03 16 8.4085673E-01 1.1290344E-05 -8.6836010E-06 -3.9769126E-03 1.3828413E-03 17 3.9543069E-01 7.0524703E-06 -1.7485768E-06 -1.1982828E-03 1.9747541E-04 18 1.3601670E-01 4.4004578E-06 -3.1531509E-07 -6.3456173E-05 -1.0544986E-03 19 5.5558376E-02 8.8620867E-07 -6.3702949E-08 5.1370154E-06 -1.0746799E-03 20 2.2521970E-02 1.6152475E-06 -1.1379548E-07 -9.6053618E-07 -2.8131219E-04 2p+ 3p+ 4p+ 5p+ 1 9.4254817E+05 -3.0503856E-06 1.3448855E-06 -4.9954212E-07 1.1590900E-07 2 1.3725624E+05 -2.4710102E-05 1.0891592E-05 -4.0577042E-06 9.5166783E-07 3 2.9872868E+04 -1.3350870E-04 5.8898460E-05 -2.1897268E-05 5.0956261E-06 4 8.3654334E+03 -5.3707247E-04 2.3727299E-04 -8.8386525E-05 2.0693765E-05 5 2.8219648E+03 -1.7191847E-03 7.6297110E-04 -2.8401565E-04 6.6159228E-05 6 1.0876972E+03 -4.5734003E-03 2.0495600E-03 -7.6525565E-04 1.7915772E-04 7 4.6096645E+02 -1.0178879E-02 4.6619568E-03 -1.7447623E-03 4.0669953E-04 8 2.0942669E+02 -1.8322116E-02 8.7193954E-03 -3.2897420E-03 7.7150827E-04 9 9.9922642E+01 -2.4565920E-02 1.2358810E-02 -4.7022089E-03 1.0967583E-03 10 4.9403167E+01 -2.1301943E-02 1.1161716E-02 -4.2969565E-03 1.0151070E-03 11 2.4895991E+01 -9.0711457E-03 1.2774246E-03 -1.1401259E-04 1.4275792E-06 12 1.2703825E+01 -1.3263390E-03 -9.5181479E-03 4.7417687E-03 -1.1255693E-03 13 6.5381624E+00 -7.5724289E-05 -1.0527019E-02 6.0586279E-03 -1.5307317E-03 14 3.4076288E+00 3.9325569E-06 -3.8679384E-03 1.5414253E-03 -2.8359472E-04 15 1.7207611E+00 -3.0148272E-06 -3.7997126E-04 -4.0412815E-03 1.1468393E-03 16 8.4085673E-01 1.4359610E-06 -9.8240376E-06 -4.0301426E-03 1.3629727E-03 17 3.9543069E-01 -3.2374832E-07 -1.4796327E-06 -1.3269744E-03 2.9608280E-04 18 1.3601670E-01 8.4582262E-08 -6.6475545E-09 -7.9887009E-05 -9.6953920E-04 19 5.5558376E-02 -2.7408235E-08 2.4380517E-10 6.8358256E-06 -1.0876413E-03 20 2.2521970E-02 5.7428027E-09 1.1483248E-09 -1.5031757E-06 -3.1319310E-04 3d- 4d- 1 2.0374105E+03 -7.6283819E-05 2.1423438E-05 2 5.7795724E+02 -4.1878423E-04 1.1806477E-04 3 2.1786437E+02 -1.5288783E-03 4.3200172E-04 4 9.4473257E+01 -4.0383688E-03 1.1498637E-03 5 4.4256388E+01 -7.9836076E-03 2.2987554E-03 6 2.1788708E+01 -1.1415516E-02 3.2933829E-03 7 1.0936056E+01 -1.1268067E-02 3.1016768E-03 8 5.5366584E+00 -7.0619029E-03 1.5522826E-03 9 2.7728058E+00 -2.1407614E-03 -1.4716333E-03 10 1.3188435E+00 -2.0915775E-04 -3.4489617E-03 11 5.9918137E-01 -5.1148335E-06 -3.0036701E-03 12 2.5820747E-01 -1.3022576E-06 -1.5491938E-03 13 1.0195617E-01 -1.3277080E-07 -4.1564532E-04 3d+ 4d+ 1 2.0374105E+03 -6.6723716E-05 1.8599197E-05 2 5.7795724E+02 -3.8823492E-04 1.0868173E-04 3 2.1786437E+02 -1.4594950E-03 4.0939870E-04 4 9.4473257E+01 -3.9233906E-03 1.1091604E-03 5 4.4256388E+01 -7.8421583E-03 2.2417359E-03 6 2.1788708E+01 -1.1304792E-02 3.2405125E-03 7 1.0936056E+01 -1.1260854E-02 3.0843000E-03 8 5.5366584E+00 -7.1471050E-03 1.5873865E-03 9 2.7728058E+00 -2.2047640E-03 -1.3892315E-03 10 1.3188435E+00 -2.2138509E-04 -3.3818632E-03 11 5.9918137E-01 -5.9667547E-06 -2.9980862E-03 12 2.5820747E-01 -1.6164842E-06 -1.5739926E-03 13 1.0195617E-01 -2.5601862E-07 -4.3948466E-04 ** Ru 102 ** Large component functions ------------------------- 1s+ 2s+ 3s+ 4s+ 5s+ 1 8.1785832E+07 1.2184271E-05 -4.0865389E-06 1.7492446E-06 -7.0729742E-07 1.8353247E-07 2 2.0336645E+07 3.2873344E-05 -1.1042790E-05 4.7278422E-06 -1.9113973E-06 4.9574045E-07 3 6.2967431E+06 7.8569770E-05 -2.6445508E-05 1.1325602E-05 -4.5802833E-06 1.1888087E-06 4 2.1344130E+06 1.7833652E-04 -6.0188882E-05 2.5785675E-05 -1.0424886E-05 2.7030781E-06 5 7.7988614E+05 4.0391751E-04 -1.3680105E-04 5.8637141E-05 -2.3721183E-05 6.1592764E-06 6 3.0144395E+05 9.1879199E-04 -3.1237129E-04 1.3395662E-04 -5.4157527E-05 1.4036265E-05 7 1.2241641E+05 2.1050561E-03 -7.1906396E-04 3.0857720E-04 -1.2488789E-04 3.2447484E-05 8 5.1975124E+04 4.8215624E-03 -1.6554359E-03 7.1086396E-04 -2.8739308E-04 7.4436710E-05 9 2.2977695E+04 1.0957405E-02 -3.7923023E-03 1.6304060E-03 -6.6028488E-04 1.7169300E-04 10 1.0522285E+04 2.4437995E-02 -8.5616033E-03 3.6868056E-03 -1.4908243E-03 3.8583050E-04 11 4.9686206E+03 5.2496054E-02 -1.8836255E-02 8.1397620E-03 -3.3008701E-03 8.5928124E-04 12 2.4113334E+03 1.0540200E-01 -3.9501785E-02 1.7174340E-02 -6.9541620E-03 1.7981165E-03 13 1.2000364E+03 1.8815479E-01 -7.6726503E-02 3.3776449E-02 -1.3753992E-02 3.5882396E-03 14 6.1114472E+02 2.7488664E-01 -1.3034202E-01 5.8690378E-02 -2.3898209E-02 6.1688746E-03 15 3.1739876E+02 2.8396615E-01 -1.7273803E-01 8.1014027E-02 -3.3465392E-02 8.7964588E-03 16 1.6676693E+02 1.6294022E-01 -1.1123551E-01 5.4737884E-02 -2.2461138E-02 5.6607730E-03 17 8.5848523E+01 3.2748519E-02 1.6972697E-01 -1.0371673E-01 4.4124698E-02 -1.1142218E-02 18 4.6152054E+01 -1.7730540E-05 4.9623077E-01 -3.9067259E-01 1.7979180E-01 -4.8434358E-02 19 2.4867166E+01 7.5734674E-04 4.0900381E-01 -4.3722265E-01 2.0770881E-01 -5.3621926E-02 20 1.3127730E+01 -4.2666758E-04 1.0286575E-01 9.0565477E-02 -4.4478763E-02 8.3587756E-03 21 7.0618862E+00 1.8866379E-04 3.7021691E-03 7.0096265E-01 -5.3379894E-01 1.6080904E-01 22 3.8006629E+00 -1.2608985E-04 1.6876629E-03 4.6703030E-01 -5.6518814E-01 1.6420608E-01 23 1.8788910E+00 6.2935590E-05 -6.0328459E-04 5.9373006E-02 3.2544946E-01 -1.1376107E-01 24 9.5152606E-01 -2.7033984E-05 1.4401739E-04 -1.6003000E-04 7.9017745E-01 -3.6049138E-01 25 4.5231920E-01 1.0020399E-05 -8.5230425E-05 1.1825605E-03 3.0576792E-01 -2.0782209E-01 26 1.2231913E-01 -3.2709347E-06 2.3453966E-05 -1.6023782E-04 1.1314095E-02 4.0189876E-01 27 5.6699750E-02 2.1764346E-06 -1.4050707E-05 7.5025464E-05 -7.4840273E-04 5.9107076E-01 28 2.5333782E-02 -6.5968970E-07 5.0294447E-06 -3.9577651E-05 1.3261386E-03 1.9730556E-01 2p- 3p- 4p- 5p- 1 1.0475839E+06 7.0946163E-05 -3.1343069E-05 1.1903943E-05 -2.7330130E-06 2 1.5240711E+05 2.3050501E-04 -1.0187074E-04 3.8694906E-05 -8.8865323E-06 3 3.3013472E+04 6.8778576E-04 -3.0433825E-04 1.1560409E-04 -2.6528340E-05 4 9.1792721E+03 2.0953480E-03 -9.2968561E-04 3.5344922E-04 -8.1254982E-05 5 3.0746964E+03 6.8366371E-03 -3.0505877E-03 1.1601533E-03 -2.6597004E-04 6 1.1783384E+03 2.2410451E-02 -1.0104834E-02 3.8532930E-03 -8.8706997E-04 7 4.9718298E+02 6.7040117E-02 -3.0905220E-02 1.1818089E-02 -2.7090084E-03 8 2.2511952E+02 1.6658591E-01 -7.9793901E-02 3.0759353E-02 -7.0980972E-03 9 1.0714706E+02 3.0881726E-01 -1.5628191E-01 6.0772019E-02 -1.3932059E-02 10 5.2877205E+01 3.6590017E-01 -1.9032654E-01 7.4695160E-02 -1.7389942E-02 11 2.6615517E+01 2.0940291E-01 -1.1777554E-02 -6.4811231E-03 2.2689464E-03 12 1.3571281E+01 3.9740851E-02 3.5016371E-01 -1.8018635E-01 4.2057200E-02 13 6.9918775E+00 3.1044100E-03 5.0091009E-01 -2.9862011E-01 7.4950477E-02 14 3.6499992E+00 -3.1746227E-04 2.3338794E-01 -6.9882336E-02 8.3837319E-03 15 1.8512481E+00 2.7864444E-04 2.8703502E-02 4.1666801E-01 -1.1674107E-01 16 9.0536372E-01 -1.9136581E-04 1.1999979E-03 5.2924906E-01 -1.8024459E-01 17 4.2521033E-01 5.9951194E-05 2.3780165E-04 2.2484235E-01 -2.9371283E-02 18 1.4433626E-01 -2.6147520E-05 1.3590605E-05 1.9318013E-02 3.5111767E-01 19 5.8278831E-02 1.2940546E-05 -4.7965828E-06 -2.4516560E-03 5.5533414E-01 20 2.3412546E-02 -4.1323643E-06 4.4661227E-07 8.7671395E-04 2.3127138E-01 2p+ 3p+ 4p+ 5p+ 1 1.0475839E+06 1.0540945E-06 -4.6918250E-07 1.7762146E-07 -4.0244415E-08 2 1.5240711E+05 1.3144922E-05 -5.8560834E-06 2.2209443E-06 -5.0637713E-07 3 3.3013472E+04 1.1683229E-04 -5.2116570E-05 1.9739155E-05 -4.4739912E-06 4 9.1792721E+03 7.8351973E-04 -3.5013205E-04 1.3283795E-04 -3.0270710E-05 5 3.0746964E+03 4.0705655E-03 -1.8269867E-03 6.9278134E-04 -1.5710978E-04 6 1.1783384E+03 1.6970392E-02 -7.6895094E-03 2.9242400E-03 -6.6646626E-04 7 4.9718298E+02 5.7386294E-02 -2.6557186E-02 1.0123828E-02 -2.2972244E-03 8 2.2511952E+02 1.5313563E-01 -7.3598337E-02 2.8282317E-02 -6.4575623E-03 9 1.0714706E+02 2.9901616E-01 -1.5183936E-01 5.8852893E-02 -1.3363296E-02 10 5.2877205E+01 3.7290406E-01 -1.9752698E-01 7.7484678E-02 -1.7824318E-02 11 2.6615517E+01 2.2744740E-01 -3.6915852E-02 5.0760890E-03 -5.2479608E-04 12 1.3571281E+01 4.7535348E-02 3.2607535E-01 -1.6668225E-01 3.8564583E-02 13 6.9918775E+00 3.6901536E-03 5.0836589E-01 -3.0027190E-01 7.4058824E-02 14 3.6499992E+00 -2.6554471E-04 2.5655649E-01 -9.9534070E-02 1.7054472E-02 15 1.8512481E+00 2.6647846E-04 3.5121230E-02 3.8984869E-01 -1.0817855E-01 16 9.0536372E-01 -1.9122508E-04 1.4848156E-03 5.3761027E-01 -1.7746972E-01 17 4.2521033E-01 5.8370516E-05 2.8686066E-04 2.5072300E-01 -4.9452316E-02 18 1.4433626E-01 -2.6102068E-05 1.6420679E-05 2.4480654E-02 3.2155419E-01 19 5.8278831E-02 1.2865611E-05 -5.3149249E-06 -3.3751293E-03 5.6214164E-01 20 2.3412546E-02 -4.1056726E-06 4.7032951E-07 1.1882257E-03 2.5909585E-01 3d- 4d- 1 1.9860974E+03 2.8978311E-04 -8.5441319E-05 2 5.6358608E+02 2.3761075E-03 -7.0042368E-04 3 2.1245956E+02 1.3174976E-02 -3.9092975E-03 4 9.2008245E+01 5.0782798E-02 -1.5142303E-02 5 4.3030630E+01 1.4200470E-01 -4.3027360E-02 6 2.1113564E+01 2.7700842E-01 -8.3267663E-02 7 1.0539732E+01 3.6537432E-01 -1.0483660E-01 8 5.3054056E+00 2.8863172E-01 -5.1589499E-02 9 2.6248476E+00 1.0110176E-01 1.4507119E-01 10 1.2445805E+00 1.0278825E-02 3.5512073E-01 11 5.5922107E-01 8.6941239E-04 3.9977760E-01 12 2.3613848E-01 1.5985542E-04 2.7164507E-01 13 9.1249056E-02 9.5102580E-05 8.1407050E-02 3d+ 4d+ 1 1.9860974E+03 1.9676927E-04 -5.7625223E-05 2 5.6358608E+02 2.0560346E-03 -6.0155838E-04 3 2.1245956E+02 1.2257587E-02 -3.6103342E-03 4 9.2008245E+01 4.8866530E-02 -1.4462630E-02 5 4.3030630E+01 1.3889338E-01 -4.1774530E-02 6 2.1113564E+01 2.7389663E-01 -8.1805434E-02 7 1.0539732E+01 3.6531371E-01 -1.0435343E-01 8 5.3054056E+00 2.9278119E-01 -5.3975089E-02 9 2.6248476E+00 1.0447517E-01 1.3876989E-01 10 1.2445805E+00 1.0872047E-02 3.4945481E-01 11 5.5922107E-01 8.9627502E-04 4.0056202E-01 12 2.3613848E-01 1.7226702E-04 2.7869279E-01 13 9.1249056E-02 1.0179889E-04 8.7810019E-02 Small component functions ------------------------- 1s+ 2s+ 3s+ 4s+ 5s+ 1 8.1785832E+07 -2.5298526E-05 8.4744942E-06 -3.6269523E-06 1.4669508E-06 -3.8095753E-07 2 2.0336645E+07 -9.1926628E-05 3.0788708E-05 -1.3176246E-05 5.3250799E-06 -1.3801066E-06 3 6.2967431E+06 -2.0402810E-04 6.8356889E-05 -2.9256532E-05 1.1834225E-05 -3.0740298E-06 4 2.1344130E+06 -4.2715404E-04 1.4310297E-04 -6.1243662E-05 2.4747507E-05 -6.4112728E-06 5 7.7988614E+05 -8.3347691E-04 2.7940847E-04 -1.1959664E-04 4.8384225E-05 -1.2572773E-05 6 3.0144395E+05 -1.5733018E-03 5.2762360E-04 -2.2583765E-04 9.1246074E-05 -2.3629896E-05 7 1.2241641E+05 -2.8565998E-03 9.5970485E-04 -4.1091683E-04 1.6627743E-04 -4.3225897E-05 8 5.1975124E+04 -5.0143940E-03 1.6888190E-03 -7.2329148E-04 2.9221272E-04 -7.5638425E-05 9 2.2977695E+04 -8.5050140E-03 2.8825729E-03 -1.2357870E-03 5.0028850E-04 -1.3013464E-04 10 1.0522285E+04 -1.3920675E-02 4.7711658E-03 -2.0484760E-03 8.2777018E-04 -2.1413922E-04 11 4.9686206E+03 -2.1720180E-02 7.6234446E-03 -3.2846507E-03 1.3313995E-03 -3.4664618E-04 12 2.4113334E+03 -3.1532122E-02 1.1565167E-02 -5.0139361E-03 2.0290000E-03 -5.2449283E-04 13 1.2000364E+03 -4.0681029E-02 1.6250726E-02 -7.1350042E-03 2.9041382E-03 -7.5769094E-04 14 6.1114472E+02 -4.3071590E-02 2.0032357E-02 -8.9989753E-03 3.6625883E-03 -9.4528512E-04 15 3.1739876E+02 -3.2364681E-02 1.9348912E-02 -9.0582705E-03 3.7406287E-03 -9.8321435E-04 16 1.6676693E+02 -1.3529724E-02 9.1404724E-03 -4.4992381E-03 1.8465329E-03 -4.6553504E-04 17 8.5848523E+01 -1.9556762E-03 -9.8628420E-03 6.0033984E-03 -2.5518254E-03 6.4404276E-04 18 4.6152054E+01 1.0954233E-06 -2.1314631E-02 1.6735804E-02 -7.6988294E-03 2.0739270E-03 19 2.4867166E+01 -2.4327639E-05 -1.2917934E-02 1.3782321E-02 -6.5465121E-03 1.6900517E-03 20 1.3127730E+01 9.9656462E-06 -2.3621813E-03 -2.0638291E-03 1.0115014E-03 -1.8948090E-04 21 7.0618862E+00 -3.2445761E-06 -6.2082239E-05 -1.1773100E-02 8.9609350E-03 -2.6993336E-03 22 3.8006629E+00 1.5844597E-06 -2.0957341E-05 -5.7568075E-03 6.9641697E-03 -2.0233442E-03 23 1.8788910E+00 -5.5607143E-07 5.2995433E-06 -5.1459620E-04 -2.8187002E-03 9.8518069E-04 24 9.5152606E-01 1.7004698E-07 -9.1997389E-07 9.8951914E-07 -4.8714107E-03 2.2222658E-03 25 4.5231920E-01 -4.3354544E-08 3.7309931E-07 -5.0279412E-06 -1.2996917E-03 8.8332015E-04 26 1.2231913E-01 7.3362004E-09 -5.5362878E-08 3.5427375E-07 -2.5010839E-05 -8.8829276E-04 27 5.6699750E-02 -3.3109810E-09 2.3534195E-08 -1.1293068E-07 1.1280366E-06 -8.8946399E-04 28 2.5333782E-02 6.6597095E-10 -5.8362667E-09 3.9808966E-08 -1.3344810E-06 -1.9846578E-04 2p- 3p- 4p- 5p- 1 1.0475839E+06 -1.6498258E-05 7.2974026E-06 -2.7712181E-06 6.3538095E-07 2 1.5240711E+05 -6.9602001E-05 3.0816347E-05 -1.1713768E-05 2.6950309E-06 3 3.3013472E+04 -2.4784963E-04 1.0993510E-04 -4.1760796E-05 9.5677433E-06 4 9.1792721E+03 -7.8535499E-04 3.4908617E-04 -1.3279262E-04 3.0564700E-05 5 3.0746964E+03 -2.1925579E-03 9.7941441E-04 -3.7248813E-04 8.5339634E-05 6 1.1783384E+03 -5.3781438E-03 2.4261799E-03 -9.2532792E-04 2.1309441E-04 7 4.9718298E+02 -1.1375167E-02 5.2454786E-03 -2.0058689E-03 4.5972107E-04 8 2.2511952E+02 -1.9744345E-02 9.4621572E-03 -3.6478867E-03 8.4188002E-04 9 1.0714706E+02 -2.5671164E-02 1.3003607E-02 -5.0572198E-03 1.1593242E-03 10 5.2877205E+01 -2.1499215E-02 1.1207518E-02 -4.4003207E-03 1.0245612E-03 11 2.6615517E+01 -8.6970114E-03 4.7854931E-04 2.7568726E-04 -9.6036200E-05 12 1.3571281E+01 -1.1170297E-03 -1.0527948E-02 5.4136014E-03 -1.2634926E-03 13 6.9918775E+00 -1.8870565E-05 -1.0811657E-02 6.4427581E-03 -1.6169877E-03 14 3.6499992E+00 3.4063629E-05 -3.6414378E-03 1.0921555E-03 -1.3145776E-04 15 1.8512481E+00 1.6408543E-05 -3.2008614E-04 -4.6231744E-03 1.2953436E-03 16 9.0536372E-01 1.2307153E-05 -1.0092938E-05 -4.1075713E-03 1.3989835E-03 17 4.2521033E-01 7.8519022E-06 -1.8283910E-06 -1.1953983E-03 1.5611375E-04 18 1.4433626E-01 4.8202792E-06 -3.7561971E-07 -5.9384338E-05 -1.0884043E-03 19 5.8278831E-02 9.9025925E-07 -6.0096562E-08 4.9344389E-06 -1.0937966E-03 20 2.3412546E-02 1.7266212E-06 -1.2118790E-07 -9.1435373E-07 -2.8874078E-04 2p+ 3p+ 4p+ 5p+ 1 1.0475839E+06 -2.9276309E-06 1.3014961E-06 -4.9215503E-07 1.1111180E-07 2 1.5240711E+05 -2.3769383E-05 1.0565988E-05 -4.0074415E-06 9.1517276E-07 3 3.3013472E+04 -1.2946271E-04 5.7589950E-05 -2.1797570E-05 4.9366650E-06 4 9.1792721E+03 -5.2617281E-04 2.3441022E-04 -8.8894851E-05 2.0262382E-05 5 3.0746964E+03 -1.7001016E-03 7.6068821E-04 -2.8828155E-04 6.5361695E-05 6 1.1783384E+03 -4.5596853E-03 2.0599342E-03 -7.8299440E-04 1.7845659E-04 7 4.9718298E+02 -1.0228975E-02 4.7206318E-03 -1.7986749E-03 4.0809915E-04 8 2.2511952E+02 -1.8580170E-02 8.9079845E-03 -3.4217995E-03 7.8126192E-04 9 1.0714706E+02 -2.5180137E-02 1.2759806E-02 -4.9440179E-03 1.1225396E-03 10 5.2877205E+01 -2.2131770E-02 1.1704937E-02 -4.5907332E-03 1.0560187E-03 11 2.6615517E+01 -9.5919419E-03 1.5649410E-03 -2.1951058E-04 2.3487644E-05 12 1.3571281E+01 -1.4318510E-03 -9.7936737E-03 5.0045421E-03 -1.1578164E-03 13 6.9918775E+00 -7.9913255E-05 -1.0968044E-02 6.4763673E-03 -1.5972791E-03 14 3.6499992E+00 4.2459143E-06 -4.0006558E-03 1.5523125E-03 -2.6608684E-04 15 1.8512481E+00 -3.0146290E-06 -3.8995395E-04 -4.3273423E-03 1.2007360E-03 16 9.0536372E-01 1.5112448E-06 -1.1567616E-05 -4.1735683E-03 1.3776793E-03 17 4.2521033E-01 -3.2059641E-07 -1.5116177E-06 -1.3339429E-03 2.6310776E-04 18 1.4433626E-01 8.4311586E-08 -5.6049720E-08 -7.5881301E-05 -9.9668803E-04 19 5.8278831E-02 -2.7045928E-08 1.3109319E-08 6.6466855E-06 -1.1071889E-03 20 2.3412546E-02 5.6971044E-09 -1.4863731E-09 -1.4829757E-06 -3.2344923E-04 3d- 4d- 1 1.9860974E+03 -9.0538442E-05 2.6709592E-05 2 5.6358608E+02 -4.9405618E-04 1.4562116E-04 3 2.1245956E+02 -1.7830089E-03 5.2908281E-04 4 9.2008245E+01 -4.6278998E-03 1.3799219E-03 5 4.3030630E+01 -8.9274417E-03 2.7051415E-03 6 2.1113564E+01 -1.2246141E-02 3.6816222E-03 7 1.0539732E+01 -1.1431150E-02 3.2804960E-03 8 5.3054056E+00 -6.4105509E-03 1.1463408E-03 9 2.6248476E+00 -1.5778490E-03 -2.2682325E-03 10 1.2445805E+00 -1.0923492E-04 -3.8240030E-03 11 5.5922107E-01 -5.6380031E-06 -2.8858068E-03 12 2.3613848E-01 -5.4741994E-07 -1.2742354E-03 13 9.1249056E-02 -1.7839498E-07 -2.3736217E-04 3d+ 4d+ 1 1.9860974E+03 -7.9079850E-05 2.3152636E-05 2 5.6358608E+02 -4.5765098E-04 1.3384821E-04 3 2.1245956E+02 -1.7017387E-03 5.0107467E-04 4 9.2008245E+01 -4.4965773E-03 1.3304347E-03 5 4.3030630E+01 -8.7720474E-03 2.6376992E-03 6 2.1113564E+01 -1.2137619E-02 3.6244689E-03 7 1.0539732E+01 -1.1445771E-02 3.2690336E-03 8 5.3054056E+00 -6.5108169E-03 1.2004295E-03 9 2.6248476E+00 -1.6343521E-03 -2.1698990E-03 10 1.2445805E+00 -1.1712832E-04 -3.7632873E-03 11 5.5922107E-01 -6.4646550E-06 -2.8916303E-03 12 2.3613848E-01 -8.1058238E-07 -1.3073589E-03 13 9.1249056E-02 -2.9608911E-07 -2.5606238E-04 ** Rh 103 ** Large component functions ------------------------- 1s+ 2s+ 3s+ 4s+ 5s+ 1 8.2100390E+07 1.3200030E-05 -4.4447654E-06 1.9137891E-06 -7.8362599E-07 1.9982845E-07 2 2.0596201E+07 3.5219115E-05 -1.1878052E-05 5.1154355E-06 -2.0942724E-06 5.3379174E-07 3 6.4461001E+06 8.3193658E-05 -2.8114525E-05 1.2111426E-05 -4.9601223E-06 1.2651811E-06 4 2.2054790E+06 1.8679423E-04 -6.3300036E-05 2.7278846E-05 -1.1168179E-05 2.8457945E-06 5 8.1153347E+05 4.1909253E-04 -1.4253025E-04 6.1454741E-05 -2.5176108E-05 6.4242728E-06 6 3.1538254E+05 9.4295803E-04 -3.2195520E-04 1.3888750E-04 -5.6862290E-05 1.4482730E-05 7 1.2869282E+05 2.1384597E-03 -7.3370714E-04 3.1674001E-04 -1.2981823E-04 3.3146824E-05 8 5.4807994E+04 4.8635553E-03 -1.6774744E-03 7.2464691E-04 -2.9667934E-04 7.5514655E-05 9 2.4264117E+04 1.0990596E-02 -3.8216653E-03 1.6529128E-03 -6.7790662E-04 1.7323703E-04 10 1.1125049E+04 2.4354321E-02 -8.5722615E-03 3.7136658E-03 -1.5207264E-03 3.8676201E-04 11 5.2653825E+03 5.1927428E-02 -1.8715707E-02 8.1363481E-03 -3.3415500E-03 8.5493174E-04 12 2.5642348E+03 1.0360650E-01 -3.8969161E-02 1.7043580E-02 -6.9885813E-03 1.7756405E-03 13 1.2808180E+03 1.8465167E-01 -7.5427178E-02 3.3395299E-02 -1.3772512E-02 3.5315791E-03 14 6.5399795E+02 2.7149577E-01 -1.2844601E-01 5.8143516E-02 -2.3974692E-02 6.0813305E-03 15 3.3998883E+02 2.8511210E-01 -1.7221770E-01 8.1146554E-02 -3.3945460E-02 8.7684988E-03 16 1.7851582E+02 1.6830996E-01 -1.1562749E-01 5.7160817E-02 -2.3768812E-02 5.8982114E-03 17 9.1635923E+01 3.5212090E-02 1.6118686E-01 -9.9208482E-02 4.2759407E-02 -1.0601047E-02 18 4.9216695E+01 -1.2006140E-04 4.9379918E-01 -3.8935484E-01 1.8160925E-01 -4.8094952E-02 19 2.6484034E+01 8.9340093E-04 4.1565337E-01 -4.4580164E-01 2.1506587E-01 -5.4654622E-02 20 1.3972185E+01 -5.1361999E-04 1.0647381E-01 8.2759990E-02 -4.0689019E-02 7.1354777E-03 21 7.5275612E+00 2.4744483E-04 3.7194812E-03 7.0603047E-01 -5.5068839E-01 1.6355002E-01 22 4.0612215E+00 -1.6069579E-04 1.7566548E-03 4.6825887E-01 -5.7208009E-01 1.6326396E-01 23 2.0260862E+00 8.0306555E-05 -6.4853431E-04 6.0048137E-02 3.4028805E-01 -1.1789430E-01 24 1.0236630E+00 -3.4563671E-05 1.5364127E-04 3.0352076E-04 7.9170590E-01 -3.5549811E-01 25 4.8601105E-01 1.2421715E-05 -8.8068592E-05 1.1112647E-03 3.0101690E-01 -1.9893076E-01 26 1.2967388E-01 -3.9735124E-06 2.3691793E-05 -1.3026134E-04 1.0742352E-02 3.9838558E-01 27 5.9331856E-02 2.6321548E-06 -1.4138653E-05 5.6463280E-05 -8.2587724E-04 5.9014425E-01 28 2.6289676E-02 -8.0278126E-07 5.0871958E-06 -3.3794653E-05 1.2569597E-03 1.9748425E-01 2p- 3p- 4p- 5p- 1 1.1829031E+06 7.1286284E-05 -3.1727965E-05 1.2242914E-05 -2.7369386E-06 2 1.7195440E+05 2.3082526E-04 -1.0277207E-04 3.9661845E-05 -8.8690712E-06 3 3.7065566E+04 6.8343681E-04 -3.0464107E-04 1.1756942E-04 -2.6270344E-05 4 1.0226696E+04 2.0518338E-03 -9.1710615E-04 3.5424752E-04 -7.9297105E-05 5 3.3985612E+03 6.5983616E-03 -2.9653622E-03 1.1457490E-03 -2.5575599E-04 6 1.2940337E+03 2.1491494E-02 -9.7593754E-03 3.7812139E-03 -8.4765270E-04 7 5.4328322E+02 6.4414351E-02 -2.9881591E-02 1.1608341E-02 -2.5907751E-03 8 2.4506406E+02 1.6147286E-01 -7.7806741E-02 3.0474462E-02 -6.8484706E-03 9 1.1633121E+02 3.0370547E-01 -1.5448588E-01 6.1030529E-02 -1.3622888E-02 10 5.7298309E+01 3.6800060E-01 -1.9338032E-01 7.7210039E-02 -1.7507777E-02 11 2.8814410E+01 2.1779879E-01 -2.2470060E-02 -1.8938617E-03 1.1941991E-03 12 1.4661295E+01 4.3330672E-02 3.4393589E-01 -1.8095740E-01 4.1163849E-02 13 7.5493768E+00 3.1436305E-03 5.0640535E-01 -3.0795627E-01 7.5413197E-02 14 3.9426077E+00 -2.4568308E-04 2.3797827E-01 -7.1886923E-02 8.1552288E-03 15 2.0025453E+00 2.2966964E-04 2.9455935E-02 4.2468338E-01 -1.1631933E-01 16 9.7832166E-01 -1.7506474E-04 1.3094427E-03 5.2978292E-01 -1.7559026E-01 17 4.5803042E-01 4.9965235E-05 2.5747216E-04 2.1992041E-01 -2.3708761E-02 18 1.5319760E-01 -2.2742373E-05 1.8926226E-05 1.7966208E-02 3.4847100E-01 19 6.1135742E-02 1.1159378E-05 -6.5833347E-06 -2.3401703E-03 5.5365893E-01 20 2.4312688E-02 -3.5691834E-06 8.5595179E-07 8.4226214E-04 2.3532486E-01 2p+ 3p+ 4p+ 5p+ 1 1.1829031E+06 9.8592723E-07 -4.4226318E-07 1.7007210E-07 -3.7422293E-08 2 1.7195440E+05 1.2090714E-05 -5.4304198E-06 2.0924312E-06 -4.6344685E-07 3 3.7065566E+04 1.0698135E-04 -4.8098338E-05 1.8505141E-05 -4.0733231E-06 4 1.0226696E+04 7.2154840E-04 -3.2506251E-04 1.2529683E-04 -2.7735721E-05 5 3.3985612E+03 3.7842390E-03 -1.7116091E-03 6.5929320E-04 -1.4520861E-04 6 1.2940337E+03 1.5938612E-02 -7.2773264E-03 2.8115743E-03 -6.2244955E-04 7 5.4328322E+02 5.4498099E-02 -2.5390790E-02 9.8315455E-03 -2.1666839E-03 8 2.4506406E+02 1.4743932E-01 -7.1313551E-02 2.7840131E-02 -6.1747662E-03 9 1.1633121E+02 2.9298121E-01 -1.4959380E-01 5.8896440E-02 -1.2989173E-02 10 5.7298309E+01 3.7451794E-01 -2.0033517E-01 7.9925755E-02 -1.7861027E-02 11 2.8814410E+01 2.3678869E-01 -4.8585682E-02 1.0271981E-02 -1.6580958E-03 12 1.4661295E+01 5.2032538E-02 3.1790117E-01 -1.6617952E-01 3.7382951E-02 13 7.5493768E+00 3.7958604E-03 5.1372940E-01 -3.0945196E-01 7.4244258E-02 14 3.9426077E+00 -1.7130023E-04 2.6243676E-01 -1.0364632E-01 1.7224009E-02 15 2.0025453E+00 2.0445204E-04 3.6306145E-02 3.9652580E-01 -1.0733743E-01 16 9.7832166E-01 -1.6937451E-04 1.6273496E-03 5.3916690E-01 -1.7260110E-01 17 4.5803042E-01 4.5818403E-05 3.1320799E-04 2.4692640E-01 -4.4507518E-02 18 1.5319760E-01 -2.1892440E-05 2.2755404E-05 2.3093930E-02 3.1749322E-01 19 6.1135742E-02 1.0663068E-05 -7.2869384E-06 -3.2834510E-03 5.6019877E-01 20 2.4312688E-02 -3.4047740E-06 9.0016473E-07 1.1610923E-03 2.6506222E-01 3d- 4d- 1 2.1385880E+03 2.8711259E-04 -8.8030679E-05 2 6.0497905E+02 2.3372417E-03 -7.1598885E-04 3 2.2769691E+02 1.2971845E-02 -4.0032704E-03 4 9.8548622E+01 5.0238545E-02 -1.5573500E-02 5 4.6095451E+01 1.4121463E-01 -4.4532127E-02 6 2.2634129E+01 2.7706790E-01 -8.6654729E-02 7 1.1317018E+01 3.6674960E-01 -1.0961900E-01 8 5.7130572E+00 2.8819799E-01 -5.1495650E-02 9 2.8361010E+00 9.9329655E-02 1.5480886E-01 10 1.3547584E+00 9.9284411E-03 3.6232000E-01 11 6.1348023E-01 9.5534009E-04 3.9571491E-01 12 2.6094688E-01 1.7246227E-04 2.6092325E-01 13 1.0140641E-01 1.0324841E-04 7.5332353E-02 3d+ 4d+ 1 2.1385880E+03 1.9068086E-04 -5.8054831E-05 2 6.0497905E+02 2.0042090E-03 -6.0907990E-04 3 2.2769691E+02 1.2015627E-02 -3.6792403E-03 4 9.8548622E+01 4.8231972E-02 -1.4833342E-02 5 4.6095451E+01 1.3795281E-01 -4.3162737E-02 6 2.2634129E+01 2.7380492E-01 -8.5052513E-02 7 1.1317018E+01 3.6671083E-01 -1.0909121E-01 8 5.7130572E+00 2.9256426E-01 -5.4171325E-02 9 2.8361010E+00 1.0280352E-01 1.4798133E-01 10 1.3547584E+00 1.0524155E-02 3.5646861E-01 11 6.1348023E-01 9.8652807E-04 3.9681804E-01 12 2.6094688E-01 1.8591234E-04 2.6855578E-01 13 1.0140641E-01 1.1144829E-04 8.1976745E-02 Small component functions ------------------------- 1s+ 2s+ 3s+ 4s+ 5s+ 1 8.2100390E+07 -2.6742047E-05 8.9933506E-06 -3.8716618E-06 1.5857577E-06 -4.0470745E-07 2 2.0596201E+07 -9.6689584E-05 3.2511253E-05 -1.3995316E-05 5.7276253E-06 -1.4587755E-06 3 6.4461001E+06 -2.1250416E-04 7.1477924E-05 -3.0772366E-05 1.2605137E-05 -3.2178703E-06 4 2.2054790E+06 -4.4243444E-04 1.4880591E-04 -6.4059312E-05 2.6212389E-05 -6.6732677E-06 5 8.1153347E+05 -8.5952879E-04 2.8928469E-04 -1.2455299E-04 5.1028242E-05 -1.3031484E-05 6 3.1538254E+05 -1.6152458E-03 5.4383141E-04 -2.3414648E-04 9.5798457E-05 -2.4379374E-05 7 1.2869282E+05 -2.9219775E-03 9.8557784E-04 -4.2448080E-04 1.7394465E-04 -4.4440625E-05 8 5.4807994E+04 -5.1237905E-03 1.7324794E-03 -7.4636593E-04 3.0534565E-04 -7.7669963E-05 9 2.4264117E+04 -8.6827572E-03 2.9544221E-03 -1.2740546E-03 5.2232474E-04 -1.3352753E-04 10 1.1125049E+04 -1.4174719E-02 4.8767368E-03 -2.1061497E-03 8.6182922E-04 -2.1908747E-04 11 5.2653825E+03 -2.2029326E-02 7.7592698E-03 -3.3628080E-03 1.3804197E-03 -3.5324124E-04 12 2.5642348E+03 -3.1889143E-02 1.1726858E-02 -5.1135383E-03 2.0954133E-03 -5.3224301E-04 13 1.2808180E+03 -4.1199999E-02 1.6470097E-02 -7.2718345E-03 2.9975564E-03 -7.6868368E-04 14 6.5399795E+02 -4.3995633E-02 2.0396874E-02 -9.2101153E-03 3.7957552E-03 -9.6265752E-04 15 3.3998883E+02 -3.3643516E-02 1.9954050E-02 -9.3839796E-03 3.9242021E-03 -1.0136461E-03 16 1.7851582E+02 -1.4470057E-02 9.8281183E-03 -4.8593885E-03 2.0209345E-03 -5.0165346E-04 17 9.1635923E+01 -2.1745882E-03 -9.6678800E-03 5.9255412E-03 -2.5514878E-03 6.3219634E-04 18 4.9216695E+01 5.7790048E-06 -2.1902180E-02 1.7220823E-02 -8.0288630E-03 2.1261773E-03 19 2.6484034E+01 -2.9650085E-05 -1.3549328E-02 1.4502074E-02 -6.9949760E-03 1.7776331E-03 20 1.3972185E+01 1.2390472E-05 -2.5228760E-03 -1.9438309E-03 9.5324016E-04 -1.6640488E-04 21 7.5275612E+00 -4.3953539E-06 -6.4371265E-05 -1.2243016E-02 9.5441038E-03 -2.8343155E-03 22 4.0612215E+00 2.0897374E-06 -2.2568789E-05 -5.9667367E-03 7.2868397E-03 -2.0795935E-03 23 2.0260862E+00 -7.3754165E-07 5.9221382E-06 -5.4047260E-04 -3.0604784E-03 1.0602059E-03 24 1.0236630E+00 2.2566594E-07 -1.0202611E-06 -1.9375990E-06 -5.0624910E-03 2.2730363E-03 25 4.8601105E-01 -5.5755809E-08 4.0061219E-07 -4.8981775E-06 -1.3263025E-03 8.7645585E-04 26 1.2967388E-01 9.1795449E-09 -5.7899704E-08 2.9670354E-07 -2.4450501E-05 -9.0661325E-04 27 5.9331856E-02 -4.0959259E-09 2.4450901E-08 -8.7060082E-08 1.2730702E-06 -9.0844884E-04 28 2.6289676E-02 8.2485240E-10 -6.0926719E-09 3.4665969E-08 -1.2885045E-06 -2.0235849E-04 2p- 3p- 4p- 5p- 1 1.1829031E+06 -1.6694779E-05 7.4387645E-06 -2.8700389E-06 6.4072583E-07 2 1.7195440E+05 -6.9510714E-05 3.1008312E-05 -1.1975845E-05 2.6830290E-06 3 3.7065566E+04 -2.4523910E-04 1.0958041E-04 -4.2290936E-05 9.4337552E-06 4 1.0226696E+04 -7.7500121E-04 3.4710197E-04 -1.3416053E-04 3.0070642E-05 5 3.3985612E+03 -2.1666964E-03 9.7489185E-04 -3.7668879E-04 8.4025353E-05 6 1.2940337E+03 -5.3353406E-03 2.4241940E-03 -9.3941708E-04 2.1067569E-04 7 5.4328322E+02 -1.1356978E-02 5.2701632E-03 -2.0473493E-03 4.5684743E-04 8 2.4506406E+02 -1.9913371E-02 9.6003523E-03 -3.7605650E-03 8.4520104E-04 9 1.1633121E+02 -2.6272385E-02 1.3376972E-02 -5.2853149E-03 1.1797009E-03 10 5.7298309E+01 -2.2495072E-02 1.1847298E-02 -4.7322516E-03 1.0731885E-03 11 2.8814410E+01 -9.4099100E-03 9.6421055E-04 8.6536063E-05 -5.2958313E-05 12 1.4661295E+01 -1.2684680E-03 -1.0747979E-02 5.6504714E-03 -1.2852505E-03 13 7.5493768E+00 -1.7620258E-05 -1.1357874E-02 6.9039112E-03 -1.6905636E-03 14 3.9426077E+00 3.5945947E-05 -3.8591792E-03 1.1678349E-03 -1.3298010E-04 15 2.0025453E+00 1.8832348E-05 -3.4166334E-04 -4.9007258E-03 1.3423303E-03 16 9.7832166E-01 1.3311437E-05 -1.1404133E-05 -4.2740880E-03 1.4166865E-03 17 4.5803042E-01 8.7993281E-06 -2.0346912E-06 -1.2134104E-03 1.3074955E-04 18 1.5319760E-01 5.2743193E-06 -4.1875844E-07 -5.6813562E-05 -1.1128712E-03 19 6.1135742E-02 1.1060671E-06 -6.2486232E-08 4.8419399E-06 -1.1169076E-03 20 2.4312688E-02 1.8432273E-06 -1.2725376E-07 -8.7327630E-07 -2.9939716E-04 2p+ 3p+ 4p+ 5p+ 1 1.1829031E+06 -2.7502719E-06 1.2319514E-06 -4.7312422E-07 1.0369358E-07 2 1.7195440E+05 -2.2378195E-05 1.0029392E-05 -3.8650207E-06 8.5760720E-07 3 3.7065566E+04 -1.2292871E-04 5.5106986E-05 -2.1186010E-05 4.6593006E-06 4 1.0226696E+04 -5.0540903E-04 2.2696542E-04 -8.7445191E-05 1.9362646E-05 5 3.3985612E+03 -1.6509823E-03 7.4429712E-04 -2.8651627E-04 6.3088558E-05 6 1.2940337E+03 -4.4722778E-03 2.0356011E-03 -7.8604380E-04 1.7402511E-04 7 5.4328322E+02 -1.0136212E-02 4.7086217E-03 -1.8222674E-03 4.0154578E-04 8 2.4506406E+02 -1.8648505E-02 8.9965484E-03 -3.5106644E-03 7.7862078E-04 9 1.1633121E+02 -2.5698378E-02 1.3092377E-02 -5.1526866E-03 1.1363165E-03 10 5.7298309E+01 -2.3136130E-02 1.2355162E-02 -4.9282299E-03 1.1012907E-03 11 2.8814410E+01 -1.0390889E-02 2.1397682E-03 -4.5624022E-04 7.4098371E-05 12 1.4661295E+01 -1.6292380E-03 -9.9231725E-03 5.1852663E-03 -1.1663807E-03 13 7.5493768E+00 -8.5447905E-05 -1.1517145E-02 6.9351841E-03 -1.6638485E-03 14 3.9426077E+00 2.8983711E-06 -4.2533552E-03 1.6800616E-03 -2.7931808E-04 15 2.0025453E+00 -2.4263617E-06 -4.1926850E-04 -4.5777709E-03 1.2391203E-03 16 9.7832166E-01 1.3981022E-06 -1.3178193E-05 -4.3510451E-03 1.3928250E-03 17 4.5803042E-01 -2.6469237E-07 -1.7135254E-06 -1.3635082E-03 2.4577059E-04 18 1.5319760E-01 7.3825988E-08 -7.8199661E-08 -7.3747542E-05 -1.0138592E-03 19 6.1135742E-02 -2.3473831E-08 1.7522914E-08 6.6226416E-06 -1.1300829E-03 20 2.4312688E-02 4.9938949E-09 -2.1091605E-09 -1.4766670E-06 -3.3719852E-04 3d- 4d- 1 2.1385880E+03 -9.1364002E-05 2.8033236E-05 2 6.0497905E+02 -5.0018967E-04 1.5320518E-04 3 2.2769691E+02 -1.8124980E-03 5.5939545E-04 4 9.8548622E+01 -4.7328023E-03 1.4671029E-03 5 4.6095451E+01 -9.1837610E-03 2.8962601E-03 6 2.2634129E+01 -1.2679122E-02 3.9660292E-03 7 1.1317018E+01 -1.1888364E-02 3.5540325E-03 8 5.7130572E+00 -6.6417405E-03 1.1873845E-03 9 2.8361010E+00 -1.6110495E-03 -2.5159292E-03 10 1.3547584E+00 -1.0991557E-04 -4.0705128E-03 11 6.1348023E-01 -6.4975441E-06 -2.9918271E-03 12 2.6094688E-01 -6.1883121E-07 -1.2866202E-03 13 1.0140641E-01 -2.0228935E-07 -2.3154666E-04 3d+ 4d+ 1 2.1385880E+03 -7.9181174E-05 2.4100928E-05 2 6.0497905E+02 -4.6130672E-04 1.4013005E-04 3 2.2769691E+02 -1.7253072E-03 5.2812104E-04 4 9.8548622E+01 -4.5911123E-03 1.4115119E-03 5 4.6095451E+01 -9.0157087E-03 2.8200855E-03 6 2.2634129E+01 -1.2561863E-02 3.9012750E-03 7 1.1317018E+01 -1.1905419E-02 3.5411038E-03 8 5.7130572E+00 -6.7514156E-03 1.2502934E-03 9 2.8361010E+00 -1.6717030E-03 -2.4052189E-03 10 1.3547584E+00 -1.1829724E-04 -4.0051272E-03 11 6.1348023E-01 -7.4528156E-06 -3.0003573E-03 12 2.6094688E-01 -9.1966740E-07 -1.3243312E-03 13 1.0140641E-01 -3.4171459E-07 -2.5200626E-04 ** Pd 106 ** Large component functions ------------------------- 1s+ 2s+ 3s+ 4s+ 5s+ 1 8.1157138E+07 1.4503757E-05 -4.9030404E-06 2.1227313E-06 -8.7660865E-07 2.1300041E-07 2 2.0415682E+07 3.8565895E-05 -1.3058739E-05 5.6549275E-06 -2.3350251E-06 5.6718688E-07 3 6.4098091E+06 9.0624223E-05 -3.0750004E-05 1.3319931E-05 -5.5015986E-06 1.3370312E-06 4 2.1998244E+06 2.0237214E-04 -6.8863245E-05 2.9840708E-05 -1.2322313E-05 2.9926150E-06 5 8.1155018E+05 4.5164963E-04 -1.5426087E-04 6.6882368E-05 -2.7632850E-05 6.7173965E-06 6 3.1602350E+05 1.0106560E-03 -3.4659883E-04 1.5035399E-04 -6.2090382E-05 1.5074978E-05 7 1.2916756E+05 2.2794203E-03 -7.8572268E-04 3.4110056E-04 -1.4098811E-04 3.4288457E-05 8 5.5087455E+04 5.1566406E-03 -1.7872546E-03 7.7644211E-04 -3.2066285E-04 7.7820949E-05 9 2.4416188E+04 1.1596249E-02 -4.0535188E-03 1.7632062E-03 -7.2924666E-04 1.7745919E-04 10 1.1203843E+04 2.5584530E-02 -9.0566800E-03 3.9462865E-03 -1.6302711E-03 3.9544292E-04 11 5.3044215E+03 5.4323120E-02 -1.9708952E-02 8.6190434E-03 -3.5695986E-03 8.6939865E-04 12 2.5825411E+03 1.0785796E-01 -4.0896506E-02 1.7997906E-02 -7.4466601E-03 1.8052818E-03 13 1.2889226E+03 1.9067236E-01 -7.8755950E-02 3.5104572E-02 -1.4600531E-02 3.5623286E-03 14 6.5757282E+02 2.7586802E-01 -1.3258975E-01 6.0486116E-02 -2.5180510E-02 6.0996387E-03 15 3.4180366E+02 2.8094727E-01 -1.7307548E-01 8.2282701E-02 -3.4724639E-02 8.5241046E-03 16 1.7975144E+02 1.5760236E-01 -1.0448176E-01 5.1958306E-02 -2.1824079E-02 5.1944163E-03 17 9.2513968E+01 3.0552591E-02 1.8585159E-01 -1.1651229E-01 5.1075624E-02 -1.2259060E-02 18 4.9794954E+01 -1.2933113E-04 5.0204662E-01 -4.0730119E-01 1.9248284E-01 -4.8368593E-02 19 2.6866265E+01 7.1823668E-04 3.9639379E-01 -4.3098074E-01 2.1119551E-01 -5.1620907E-02 20 1.4164398E+01 -4.2311497E-04 9.4428603E-02 1.2612186E-01 -6.6270032E-02 1.4155009E-02 21 7.7283429E+00 1.9664241E-04 2.4349965E-03 7.1570057E-01 -5.8465260E-01 1.6510187E-01 22 4.2039654E+00 -1.2931694E-04 1.7254670E-03 4.3809196E-01 -5.4199633E-01 1.4890818E-01 23 2.1264710E+00 6.4268483E-05 -6.6374603E-04 5.3805511E-02 3.8641810E-01 -1.3392334E-01 24 1.0733849E+00 -2.6195515E-05 1.4991343E-04 9.0806978E-04 7.7141327E-01 -3.2612853E-01 25 5.1116205E-01 9.4500222E-06 -8.4327169E-05 9.5570946E-04 2.9064453E-01 -1.8151752E-01 26 1.3613043E-01 -2.9016464E-06 2.1236563E-05 -6.7093389E-05 1.1195726E-02 3.4670852E-01 27 6.1321169E-02 1.8996790E-06 -1.3686969E-05 4.5270906E-05 -2.9323863E-03 6.0392682E-01 28 2.7026919E-02 -5.8264367E-07 4.3831757E-06 -1.7910665E-05 9.6757325E-04 2.2333467E-01 2p- 3p- 4p- 5p- 1 1.2884734E+06 7.3467067E-05 -3.2928340E-05 1.2835982E-05 -3.1208555E-06 2 1.8721286E+05 2.3731125E-04 -1.0640157E-04 4.1481686E-05 -1.0088917E-05 3 4.0210389E+04 6.9907760E-04 -3.1379750E-04 1.2234438E-04 -2.9729477E-05 4 1.1030612E+04 2.0782141E-03 -9.3539731E-04 3.6498728E-04 -8.8875413E-05 5 3.6435599E+03 6.6129441E-03 -2.9928413E-03 1.1683125E-03 -2.8355186E-04 6 1.3802685E+03 2.1415910E-02 -9.7932735E-03 3.8329607E-03 -9.3495971E-04 7 5.7717503E+02 6.4135651E-02 -2.9960176E-02 1.1760493E-02 -2.8533229E-03 8 2.5953687E+02 1.6111495E-01 -7.8173209E-02 3.0933281E-02 -7.5666958E-03 9 1.2290268E+02 3.0392330E-01 -1.5571201E-01 6.2184061E-02 -1.5085315E-02 10 6.0418948E+01 3.6888251E-01 -1.9504106E-01 7.8656573E-02 -1.9446125E-02 11 3.0335832E+01 2.1797993E-01 -2.1383736E-02 -2.6507050E-03 1.6441660E-03 12 1.5433466E+01 4.2904552E-02 3.4928788E-01 -1.8705588E-01 4.6230439E-02 13 7.9609662E+00 3.1374806E-03 5.0757111E-01 -3.1423868E-01 8.4519110E-02 14 4.1638907E+00 -3.2196785E-04 2.3181077E-01 -5.9778515E-02 3.5969627E-03 15 2.1249439E+00 2.5019387E-04 2.7756834E-02 4.3586256E-01 -1.3050953E-01 16 1.0396241E+00 -1.9242365E-04 1.4887649E-03 5.1926384E-01 -1.9199169E-01 17 4.8674991E-01 5.2248170E-05 2.7389550E-04 2.1662600E-01 6.9549679E-04 18 1.6087631E-01 -2.4302521E-05 4.8194373E-05 1.8838622E-02 3.9004606E-01 19 6.3576096E-02 1.1989156E-05 -2.0170931E-05 -2.0129240E-03 5.3878106E-01 20 2.5085381E-02 -3.6646950E-06 9.8467702E-07 1.2313421E-03 2.0164498E-01 2p+ 3p+ 4p+ 5p+ 1 1.2884734E+06 9.6862518E-07 -4.3779182E-07 1.7001453E-07 -4.0644875E-08 2 1.8721286E+05 1.1720048E-05 -5.3038076E-06 2.0632160E-06 -4.9735928E-07 3 4.0210389E+04 1.0322453E-04 -4.6764424E-05 1.8169630E-05 -4.3456915E-06 4 1.1030612E+04 6.9850366E-04 -3.1708316E-04 1.2339758E-04 -2.9724280E-05 5 3.6435599E+03 3.6864488E-03 -1.6801047E-03 6.5354683E-04 -1.5642606E-04 6 1.3802685E+03 1.5628911E-02 -7.1896224E-03 2.8044998E-03 -6.7561322E-04 7 5.7717503E+02 5.3775535E-02 -2.5240264E-02 9.8703151E-03 -2.3639486E-03 8 2.5953687E+02 1.4639779E-01 -7.1330417E-02 2.8118714E-02 -6.7878061E-03 9 1.2290268E+02 2.9260547E-01 -1.5054327E-01 5.9882793E-02 -1.4349905E-02 10 6.0418948E+01 3.7567610E-01 -2.0244064E-01 8.1557392E-02 -1.9867214E-02 11 3.0335832E+01 2.3791388E-01 -4.9057410E-02 1.0398405E-02 -1.6886475E-03 12 1.5433466E+01 5.1991030E-02 3.2202644E-01 -1.7121502E-01 4.1817538E-02 13 7.9609662E+00 3.8081991E-03 5.1601202E-01 -3.1638078E-01 8.3352243E-02 14 4.1638907E+00 -2.4889532E-04 2.5724993E-01 -9.4060225E-02 1.4427040E-02 15 2.1249439E+00 2.2506631E-04 3.4573888E-02 4.0742689E-01 -1.2045932E-01 16 1.0396241E+00 -1.8779160E-04 1.8567908E-03 5.2941861E-01 -1.8949341E-01 17 4.8674991E-01 4.8144558E-05 3.2928993E-04 2.4473953E-01 -2.3939443E-02 18 1.6087631E-01 -2.3738714E-05 6.1797456E-05 2.4249301E-02 3.5718643E-01 19 6.3576096E-02 1.1600804E-05 -2.3933753E-05 -3.0023721E-03 5.5021076E-01 20 2.5085381E-02 -3.5028797E-06 1.3452052E-06 1.6524504E-03 2.3140161E-01 3d- 4d- 1 2.0858626E+03 3.3988862E-04 -1.0447469E-04 2 5.9026826E+02 2.7627100E-03 -8.4699708E-04 3 2.2216177E+02 1.5175715E-02 -4.6978883E-03 4 9.6024528E+01 5.7840708E-02 -1.7969485E-02 5 4.4850214E+01 1.5856819E-01 -5.0246840E-02 6 2.1951429E+01 2.9880854E-01 -9.3136642E-02 7 1.0931444E+01 3.7329405E-01 -1.1059974E-01 8 5.4925360E+00 2.6101808E-01 -2.4896515E-02 9 2.6866458E+00 7.3243434E-02 2.0533606E-01 10 1.2639396E+00 4.7175571E-03 3.8207900E-01 11 5.6009725E-01 5.9157821E-04 3.7519912E-01 12 2.3033269E-01 -9.9638303E-05 2.3240561E-01 13 8.6088728E-02 4.7858428E-05 5.9783699E-02 3d+ 4d+ 1 2.0858626E+03 2.2704652E-04 -6.9136992E-05 2 5.9026826E+02 2.3727515E-03 -7.1949860E-04 3 2.2216177E+02 1.4067496E-02 -4.3088365E-03 4 9.6024528E+01 5.5557489E-02 -1.7074520E-02 5 4.4850214E+01 1.5497854E-01 -4.8590319E-02 6 2.1951429E+01 2.9559731E-01 -9.1276278E-02 7 1.0931444E+01 3.7407107E-01 -1.1011781E-01 8 5.4925360E+00 2.6598222E-01 -2.8553405E-02 9 2.6866458E+00 7.6252374E-02 1.9722511E-01 10 1.2639396E+00 5.0515166E-03 3.7631985E-01 11 5.6009725E-01 6.1841736E-04 3.7732349E-01 12 2.3033269E-01 -1.0201371E-04 2.4187995E-01 13 8.6088728E-02 5.0578452E-05 6.7450469E-02 Small component functions ------------------------- 1s+ 2s+ 3s+ 4s+ 5s+ 1 8.1157138E+07 -2.8752129E-05 9.7072395E-06 -4.2019679E-06 1.7356382E-06 -4.2196173E-07 2 2.0415682E+07 -1.0387756E-04 3.5064296E-05 -1.5177369E-05 6.2650650E-06 -1.5210323E-06 3 6.4098091E+06 -2.2744074E-04 7.6802856E-05 -3.3246657E-05 1.3733888E-05 -3.3395497E-06 4 2.1998244E+06 -4.7213282E-04 1.5941549E-04 -6.9004333E-05 2.8480757E-05 -6.9125728E-06 5 8.1155018E+05 -9.1477860E-04 3.0910153E-04 -1.3381770E-04 5.5286274E-05 -1.3446937E-05 6 3.1602350E+05 -1.7151563E-03 5.7975682E-04 -2.5099032E-04 1.0358392E-04 -2.5134302E-05 7 1.2916756E+05 -3.0955215E-03 1.0483664E-03 -4.5401562E-04 1.8761138E-04 -4.5645069E-05 8 5.5087455E+04 -5.4157599E-03 1.8387768E-03 -7.9655187E-04 3.2872861E-04 -7.9740102E-05 9 2.4416188E+04 -9.1565884E-03 3.1294317E-03 -1.3570529E-03 5.6101247E-04 -1.3655010E-04 10 1.1203843E+04 -1.4913479E-02 5.1554239E-03 -2.2391085E-03 9.2432732E-04 -2.2412919E-04 11 5.3044215E+03 -2.3112641E-02 8.1870545E-03 -3.5687725E-03 1.4772242E-03 -3.5981858E-04 12 2.5825411E+03 -3.3317970E-02 1.2339815E-02 -5.4135860E-03 2.2383911E-03 -5.4252241E-04 13 1.2889226E+03 -4.2703830E-02 1.7246240E-02 -7.6649710E-03 3.1863515E-03 -7.7743153E-04 14 6.5757282E+02 -4.4868324E-02 2.1114730E-02 -9.6074653E-03 3.9975210E-03 -9.6820777E-04 15 3.4180366E+02 -3.3276186E-02 2.0115593E-02 -9.5445004E-03 4.0265176E-03 -9.8838312E-04 16 1.7975144E+02 -1.3611361E-02 8.9293469E-03 -4.4435456E-03 1.8668944E-03 -4.4449473E-04 17 9.2513968E+01 -1.8978956E-03 -1.1211836E-02 6.9994105E-03 -3.0655573E-03 7.3550326E-04 18 4.9794954E+01 6.2439176E-06 -2.2403831E-02 1.8122477E-02 -8.5604148E-03 2.1510193E-03 19 2.6866265E+01 -2.4033675E-05 -1.3016623E-02 1.4122873E-02 -6.9195953E-03 1.6913030E-03 20 1.4164398E+01 1.0285172E-05 -2.2533452E-03 -2.9879368E-03 1.5672851E-03 -3.3432896E-04 21 7.7283429E+00 -3.5453057E-06 -4.2518328E-05 -1.2575885E-02 1.0267285E-02 -2.8991825E-03 22 4.2039654E+00 1.7127414E-06 -2.2606160E-05 -5.6798224E-03 7.0242221E-03 -1.9298806E-03 23 2.1264710E+00 -6.0527701E-07 6.2293529E-06 -4.9617284E-04 -3.5605414E-03 1.2338796E-03 24 1.0733849E+00 1.7535852E-07 -1.0291866E-06 -5.9365186E-06 -5.0511378E-03 2.1352971E-03 25 5.1116205E-01 -4.3540388E-08 3.9675567E-07 -4.3229768E-06 -1.3133241E-03 8.2016931E-04 26 1.3613043E-01 6.8742728E-09 -5.4369957E-08 1.5754919E-07 -2.6108959E-05 -8.0841408E-04 27 6.1321169E-02 -3.0070501E-09 2.4656972E-08 -7.1571769E-08 4.5906926E-06 -9.4512122E-04 28 2.7026919E-02 6.0712814E-10 -5.6263706E-09 1.8843970E-08 -1.0057334E-06 -2.3203371E-04 2p- 3p- 4p- 5p- 1 1.2884734E+06 -1.7381456E-05 7.7992239E-06 -3.0400823E-06 7.3795545E-07 2 1.8721286E+05 -7.1614500E-05 3.2171640E-05 -1.2551063E-05 3.0593786E-06 3 4.0210389E+04 -2.5060612E-04 1.1277542E-04 -4.3974360E-05 1.0663855E-05 4 1.1030612E+04 -7.8935792E-04 3.5605100E-04 -1.3901645E-04 3.3905206E-05 5 3.6435599E+03 -2.2063258E-03 9.9983013E-04 -3.9033477E-04 9.4650637E-05 6 1.3802685E+03 -5.4398966E-03 2.4891924E-03 -9.7442201E-04 2.3780400E-04 7 5.7717503E+02 -1.1605169E-02 5.4231466E-03 -2.1288209E-03 5.1637140E-04 8 2.5953687E+02 -2.0407408E-02 9.9071129E-03 -3.9207005E-03 9.5919305E-04 9 1.2290268E+02 -2.6998673E-02 1.3846669E-02 -5.5304697E-03 1.3415579E-03 10 6.0418948E+01 -2.3142703E-02 1.2265165E-02 -4.9485993E-03 1.2236073E-03 11 3.0335832E+01 -9.6563964E-03 9.3972051E-04 1.2279099E-04 -7.4583859E-05 12 1.5433466E+01 -1.2835511E-03 -1.1198889E-02 5.9923942E-03 -1.4808655E-03 13 7.9609662E+00 -1.5259377E-05 -1.1690576E-02 7.2343057E-03 -1.9456658E-03 14 4.1638907E+00 3.9683335E-05 -3.8634819E-03 9.9889046E-04 -6.0960834E-05 15 2.1249439E+00 2.0251624E-05 -3.3178136E-04 -5.1810754E-03 1.5514063E-03 16 1.0396241E+00 1.4449507E-05 -1.3271606E-05 -4.3183725E-03 1.5967934E-03 17 4.8674991E-01 9.6384866E-06 -2.2156385E-06 -1.2320380E-03 -4.1503414E-06 18 1.6087631E-01 5.7282590E-06 -5.3853526E-07 -6.1026250E-05 -1.2764870E-03 19 6.3576096E-02 1.2101448E-06 -3.9627380E-08 4.2765401E-06 -1.1083793E-03 20 2.5085381E-02 1.9577644E-06 -1.3242290E-07 -1.3755783E-06 -2.6060173E-04 2p+ 3p+ 4p+ 5p+ 1 1.2884734E+06 -2.6967556E-06 1.2171359E-06 -4.7211238E-07 1.1227778E-07 2 1.8721286E+05 -2.1970276E-05 9.9205999E-06 -3.8594138E-06 9.3262048E-07 3 4.0210389E+04 -1.2139858E-04 5.4832111E-05 -2.1288503E-05 5.0856520E-06 4 1.1030612E+04 -5.0327524E-04 2.2770050E-04 -8.8568791E-05 2.1343524E-05 5 3.6435599E+03 -1.6567409E-03 7.5247369E-04 -2.9251397E-04 6.9989851E-05 6 1.3802685E+03 -4.5169850E-03 2.0710848E-03 -8.0743211E-04 1.9452217E-04 7 5.7717503E+02 -1.0295220E-02 4.8172613E-03 -1.8827606E-03 4.5085816E-04 8 2.5953687E+02 -1.9044200E-02 9.2536807E-03 -3.6461576E-03 8.8015152E-04 9 1.2290268E+02 -2.6374862E-02 1.3538034E-02 -5.3830055E-03 1.2898516E-03 10 6.0418948E+01 -2.3831309E-02 1.2819368E-02 -5.1634430E-03 1.2577766E-03 11 3.0335832E+01 -1.0713431E-02 2.2175792E-03 -4.7436189E-04 7.7685331E-05 12 1.5433466E+01 -1.6704700E-03 -1.0312762E-02 5.4808555E-03 -1.3385467E-03 13 7.9609662E+00 -8.8056244E-05 -1.1879653E-02 7.2811455E-03 -1.9181922E-03 14 4.1638907E+00 4.2828573E-06 -4.2848634E-03 1.5671079E-03 -2.4056367E-04 15 2.1249439E+00 -2.7505762E-06 -4.1128510E-04 -4.8452583E-03 1.4324675E-03 16 1.0396241E+00 1.5969285E-06 -1.5497736E-05 -4.4042081E-03 1.5763231E-03 17 4.8674991E-01 -2.8679861E-07 -1.8569759E-06 -1.3931606E-03 1.3628865E-04 18 1.6087631E-01 8.1852488E-08 -2.0816982E-07 -7.9353865E-05 -1.1688492E-03 19 6.3576096E-02 -2.5940870E-08 5.2237079E-08 6.1752006E-06 -1.1318703E-03 20 2.5085381E-02 5.2280727E-09 -2.7644430E-09 -2.1348334E-06 -2.9901861E-04 3d- 4d- 1 2.0858626E+03 -1.0758325E-04 3.3104942E-05 2 5.9026826E+02 -5.8549603E-04 1.7945902E-04 3 2.2216177E+02 -2.0968429E-03 6.4917779E-04 4 9.6024528E+01 -5.3816170E-03 1.6718660E-03 5 4.4850214E+01 -1.0174598E-02 3.2243603E-03 6 2.1951429E+01 -1.3468000E-02 4.1985403E-03 7 1.0931444E+01 -1.1893116E-02 3.5245143E-03 8 5.4925360E+00 -5.8975301E-03 5.6300240E-04 9 2.6866458E+00 -1.1551615E-03 -3.2480657E-03 10 1.2639396E+00 -4.9630632E-05 -4.1461537E-03 11 5.6009725E-01 -3.5885633E-06 -2.7104850E-03 12 2.3033269E-01 6.7345731E-07 -1.0766722E-03 13 8.6088728E-02 -3.8077272E-08 -1.6930566E-04 3d+ 4d+ 1 2.0858626E+03 -9.3102830E-05 2.8344135E-05 2 5.9026826E+02 -5.3955153E-04 1.6352858E-04 3 2.2216177E+02 -1.9955791E-03 6.1102763E-04 4 9.6024528E+01 -5.2210739E-03 1.6040404E-03 5 4.4850214E+01 -9.9920529E-03 3.1319175E-03 6 2.1951429E+01 -1.3356538E-02 4.1233641E-03 7 1.0931444E+01 -1.1936446E-02 3.5132308E-03 8 5.4925360E+00 -6.0187362E-03 6.4659350E-04 9 2.6866458E+00 -1.2068578E-03 -3.1201711E-03 10 1.2639396E+00 -5.4861288E-05 -4.0840308E-03 11 5.6009725E-01 -4.4590709E-06 -2.7260124E-03 12 2.3033269E-01 4.6892963E-07 -1.1206328E-03 13 8.6088728E-02 -1.4211004E-07 -1.9104949E-04 ** Ag 107 ** Large component functions ------------------------- 1s+ 2s+ 3s+ 4s+ 5s+ 1 8.1368610E+07 1.5703550E-05 -5.3294858E-06 2.3197164E-06 -9.7048648E-07 2.3656552E-07 2 2.0609264E+07 4.1394829E-05 -1.4072317E-05 6.1265476E-06 -2.5628199E-06 6.2442340E-07 3 6.5258024E+06 9.6285694E-05 -3.2801451E-05 1.4284817E-05 -5.9773830E-06 1.4574156E-06 4 2.2584558E+06 2.1259181E-04 -7.2634744E-05 3.1644515E-05 -1.3237826E-05 3.2245107E-06 5 8.3990485E+05 4.6907853E-04 -1.6087324E-04 7.0125113E-05 -2.9352576E-05 7.1596386E-06 6 3.2935379E+05 1.0376769E-03 -3.5738044E-04 1.5587145E-04 -6.5208975E-05 1.5876922E-05 7 1.3541393E+05 2.3144881E-03 -8.0129308E-04 3.4974806E-04 -1.4646327E-04 3.5747210E-05 8 5.8045072E+04 5.1802419E-03 -1.8036030E-03 7.8783321E-04 -3.2960905E-04 8.0201318E-05 9 2.5842071E+04 1.1538457E-02 -4.0517805E-03 1.7720812E-03 -7.4258823E-04 1.8139599E-04 10 1.1903426E+04 2.5260666E-02 -8.9827809E-03 3.9356019E-03 -1.6470136E-03 4.0043884E-04 11 5.6525803E+03 5.3365567E-02 -1.9440194E-02 8.5475913E-03 -3.5868744E-03 8.7721334E-04 12 2.7574841E+03 1.0578945E-01 -4.0238410E-02 1.7803297E-02 -7.4616923E-03 1.8125044E-03 13 1.3775440E+03 1.8745972E-01 -7.7503960E-02 3.4722142E-02 -1.4633181E-02 3.5867267E-03 14 7.0294769E+02 2.7318846E-01 -1.3097970E-01 6.0034659E-02 -2.5314101E-02 6.1394380E-03 15 3.6533891E+02 2.8238203E-01 -1.7265810E-01 8.2412705E-02 -3.5245230E-02 8.7053740E-03 16 1.9207083E+02 1.6259858E-01 -1.0913200E-01 5.4517734E-02 -2.3187549E-02 5.4876483E-03 17 9.9011342E+01 3.2961654E-02 1.7433132E-01 -1.0984246E-01 4.8720117E-02 -1.1592589E-02 18 5.3306775E+01 -4.1923474E-05 4.9726355E-01 -4.0242047E-01 1.9281913E-01 -4.8878249E-02 19 2.8766828E+01 7.6614754E-04 4.0576246E-01 -4.4210046E-01 2.1969423E-01 -5.3423548E-02 20 1.5206801E+01 -4.4979144E-04 1.0057108E-01 1.0676900E-01 -5.5538525E-02 1.0357813E-02 21 8.3019877E+00 2.1257949E-04 2.9188435E-03 7.1697628E-01 -5.9525907E-01 1.7066553E-01 22 4.5202998E+00 -1.3837779E-04 1.7337143E-03 4.4985178E-01 -5.5740110E-01 1.5080408E-01 23 2.2858074E+00 6.8256270E-05 -6.7029840E-04 5.6682607E-02 3.9107435E-01 -1.3099350E-01 24 1.1523329E+00 -2.7678854E-05 1.4546028E-04 8.7567899E-04 7.8559602E-01 -3.4010109E-01 25 5.4711869E-01 9.8311911E-06 -8.2721468E-05 9.9074781E-04 2.7978945E-01 -1.7749140E-01 26 1.4334351E-01 -2.9658150E-06 2.0823926E-05 -9.0315252E-05 8.5316118E-03 3.9171844E-01 27 6.3864096E-02 1.9297959E-06 -1.2485246E-05 4.0856195E-05 -1.0769952E-03 5.8926693E-01 28 2.7916540E-02 -6.0026520E-07 4.4318386E-06 -2.4272186E-05 8.7410160E-04 1.9694749E-01 2p- 3p- 4p- 5p- 1 1.4907153E+06 7.2272617E-05 -3.2608240E-05 1.2927760E-05 -2.7178268E-06 2 2.1659175E+05 2.3257263E-04 -1.0496988E-04 4.1621356E-05 -8.7525191E-06 3 4.6302919E+04 6.7933535E-04 -3.0692199E-04 1.2169700E-04 -2.5573067E-05 4 1.2596959E+04 1.9863495E-03 -8.9989568E-04 3.5713812E-04 -7.5177841E-05 5 4.1230383E+03 6.2084575E-03 -2.8269688E-03 1.1221707E-03 -2.3556377E-04 6 1.5498180E+03 1.9930406E-02 -9.1690542E-03 3.6501599E-03 -7.6958441E-04 7 6.4419076E+02 5.9836991E-02 -2.8081059E-02 1.1205869E-02 -2.3516525E-03 8 2.8835997E+02 1.5228878E-01 -7.4184271E-02 2.9854235E-02 -6.3106165E-03 9 1.3613524E+02 2.9404526E-01 -1.5097810E-01 6.1268532E-02 -1.2860308E-02 10 6.6776927E+01 3.7100123E-01 -1.9832355E-01 8.1525359E-02 -1.7390712E-02 11 3.3504567E+01 2.3327656E-01 -4.1720166E-02 6.7478479E-03 -6.8769413E-04 12 1.6971418E+01 5.0447975E-02 3.3191126E-01 -1.8157197E-01 3.8903374E-02 13 8.7292632E+00 3.1999031E-03 5.1613096E-01 -3.2481001E-01 7.5020917E-02 14 4.5600571E+00 -7.6514687E-05 2.4639727E-01 -7.5148144E-02 7.6138151E-03 15 2.3187644E+00 1.1581398E-04 3.0815876E-02 4.3914219E-01 -1.1366265E-01 16 1.1294787E+00 -1.3604556E-04 1.5022944E-03 5.3077538E-01 -1.6490235E-01 17 5.2547213E-01 2.8591530E-05 2.9600170E-04 2.1056514E-01 -1.5614708E-02 18 1.7068938E-01 -1.5681595E-05 2.5732353E-05 1.5364175E-02 3.3976382E-01 19 6.6643594E-02 7.5820729E-06 -1.0097013E-05 -1.9916713E-03 5.5180068E-01 20 2.6001400E-02 -2.3897017E-06 9.3003825E-07 8.0676974E-04 2.4628540E-01 2p+ 3p+ 4p+ 5p+ 1 1.4907153E+06 8.7476568E-07 -3.9807231E-07 1.5720437E-07 -3.2355813E-08 2 2.1659175E+05 1.0377147E-05 -4.7313427E-06 1.8730201E-06 -3.8821150E-07 3 4.6302919E+04 9.0737121E-05 -4.1391474E-05 1.6354851E-05 -3.3674316E-06 4 1.2596959E+04 6.1718320E-04 -2.8224743E-04 1.1177254E-04 -2.3152231E-05 5 4.1230383E+03 3.2934759E-03 -1.5110655E-03 5.9778010E-04 -1.2316290E-04 6 1.5498180E+03 1.4142830E-02 -6.5494390E-03 2.5994023E-03 -5.3847596E-04 7 6.4419076E+02 4.9384705E-02 -2.3297869E-02 9.2636810E-03 -1.9098338E-03 8 2.8835997E+02 1.3708118E-01 -6.7086102E-02 2.6901958E-02 -5.5830228E-03 9 1.3613524E+02 2.8145083E-01 -1.4516645E-01 5.8689152E-02 -1.2110134E-02 10 6.6776927E+01 3.7645049E-01 -2.0474880E-01 8.4056357E-02 -1.7575885E-02 11 3.3504567E+01 2.5412592E-01 -6.9801601E-02 2.0120730E-02 -3.6016758E-03 12 1.6971418E+01 6.1082787E-02 3.0182351E-01 -1.6413009E-01 3.4610303E-02 13 8.7292632E+00 4.0053864E-03 5.2313928E-01 -3.2592702E-01 7.3296258E-02 14 4.5600571E+00 4.8114235E-05 2.7354681E-01 -1.1126804E-01 1.7353274E-02 15 2.3187644E+00 6.1242952E-05 3.8576837E-02 4.0816580E-01 -1.0396928E-01 16 1.1294787E+00 -1.1807719E-04 1.8823346E-03 5.4231195E-01 -1.6147363E-01 17 5.2547213E-01 1.8937035E-05 3.6808722E-04 2.3990125E-01 -3.7570396E-02 18 1.7068938E-01 -1.3186594E-05 3.0633822E-05 2.0378718E-02 3.0603683E-01 19 6.6643594E-02 6.2336075E-06 -1.0865509E-05 -2.9614356E-03 5.5730379E-01 20 2.6001400E-02 -1.9376768E-06 7.8098825E-07 1.1490166E-03 2.7997345E-01 3d- 4d- 1 2.4682677E+03 2.8238450E-04 -9.2057913E-05 2 6.9380867E+02 2.2641660E-03 -7.3690703E-04 3 2.6026103E+02 1.2578057E-02 -4.1287860E-03 4 1.1248845E+02 4.9146568E-02 -1.6196885E-02 5 5.2616976E+01 1.3952918E-01 -4.6853810E-02 6 2.5867569E+01 2.7687970E-01 -9.2219569E-02 7 1.2971122E+01 3.6913220E-01 -1.1768681E-01 8 6.5831842E+00 2.8769987E-01 -5.1047207E-02 9 3.2888878E+00 9.6752358E-02 1.7131219E-01 10 1.5876293E+00 9.2841332E-03 3.7366697E-01 11 7.2690652E-01 8.3589422E-04 3.8892669E-01 12 3.1242887E-01 5.7130035E-05 2.4348425E-01 13 1.2236687E-01 7.1307996E-05 6.4896602E-02 3d+ 4d+ 1 2.4682677E+03 1.7915606E-04 -5.7964591E-05 2 6.9380867E+02 1.9049650E-03 -6.1445261E-04 3 2.6026103E+02 1.1543215E-02 -3.7562421E-03 4 1.1248845E+02 4.6954749E-02 -1.5338059E-02 5 5.2616976E+01 1.3595430E-01 -4.5254572E-02 6 2.5867569E+01 2.7329421E-01 -9.0336404E-02 7 1.2971122E+01 3.6912496E-01 -1.1707407E-01 8 6.5831842E+00 2.9250715E-01 -5.4303791E-02 9 3.2888878E+00 1.0045941E-01 1.6345558E-01 10 1.5876293E+00 9.8990859E-03 3.6748196E-01 11 7.2690652E-01 8.6822405E-04 3.9069285E-01 12 3.1242887E-01 6.5670134E-05 2.5227319E-01 13 1.2236687E-01 7.6960098E-05 7.1855564E-02 Small component functions ------------------------- 1s+ 2s+ 3s+ 4s+ 5s+ 1 8.1368610E+07 -3.0427148E-05 1.0312712E-05 -4.4879213E-06 1.8780496E-06 -4.5815539E-07 2 2.0609264E+07 -1.0953693E-04 3.7119511E-05 -1.6153073E-05 6.7547451E-06 -1.6445707E-06 3 6.5258024E+06 -2.3779003E-04 8.0610341E-05 -3.5081375E-05 1.4681970E-05 -3.5827189E-06 4 2.2584558E+06 -4.9030728E-04 1.6620347E-04 -7.2328498E-05 3.0241276E-05 -7.3596294E-06 5 8.3990485E+05 -9.4354127E-04 3.2006587E-04 -1.3930518E-04 5.8309833E-05 -1.4234331E-05 6 3.2935379E+05 -1.7598907E-03 5.9723172E-04 -2.5994420E-04 1.0867349E-04 -2.6436859E-05 7 1.3541393E+05 -3.1613394E-03 1.0748490E-03 -4.6797358E-04 1.9592462E-04 -4.7848792E-05 8 5.8045072E+04 -5.5076427E-03 1.8773625E-03 -8.1763978E-04 3.4181077E-04 -8.3113230E-05 9 2.5842071E+04 -9.2775164E-03 3.1828721E-03 -1.3875979E-03 5.8120572E-04 -1.4202782E-04 10 1.1903426E+04 -1.5069921E-02 5.2286495E-03 -2.2830822E-03 9.5469046E-04 -2.3200140E-04 11 5.6525803E+03 -2.3331176E-02 8.2899647E-03 -3.6326684E-03 1.5235474E-03 -3.7266808E-04 12 2.7574841E+03 -3.3678378E-02 1.2499790E-02 -5.5123428E-03 2.3086753E-03 -5.6061946E-04 13 1.3775440E+03 -4.3349832E-02 1.7506098E-02 -7.8188332E-03 3.2933661E-03 -8.0727522E-04 14 7.0294769E+02 -4.5927666E-02 2.1538659E-02 -9.8453822E-03 4.1490526E-03 -1.0060880E-03 15 3.6533891E+02 -3.4591412E-02 2.0734552E-02 -9.8763249E-03 4.2221885E-03 -1.0428291E-03 16 1.9207083E+02 -1.4527279E-02 9.6375558E-03 -4.8169353E-03 2.0492033E-03 -4.8518171E-04 17 9.9011342E+01 -2.1203355E-03 -1.0868727E-02 6.8174897E-03 -3.0208081E-03 7.1835976E-04 18 5.3306775E+01 2.3433144E-06 -2.2957691E-02 1.8521302E-02 -8.8700841E-03 2.2484024E-03 19 2.8766828E+01 -2.6547759E-05 -1.3788918E-02 1.4990232E-02 -7.4477474E-03 1.8110886E-03 20 1.5206801E+01 1.1337070E-05 -2.4869924E-03 -2.6178993E-03 1.3586354E-03 -2.5262183E-04 21 8.3019877E+00 -3.9733684E-06 -5.2941469E-05 -1.3057365E-02 1.0834052E-02 -3.1059556E-03 22 4.5202998E+00 1.9006382E-06 -2.3538581E-05 -6.0479820E-03 7.4908350E-03 -2.0266976E-03 23 2.2858074E+00 -6.6625775E-07 6.5132108E-06 -5.4194331E-04 -3.7359616E-03 1.2512516E-03 24 1.1523329E+00 1.9175527E-07 -1.0317956E-06 -5.9361268E-06 -5.3298490E-03 2.3072124E-03 25 5.4711869E-01 -4.6765412E-08 4.0134502E-07 -4.6346887E-06 -1.3079972E-03 8.2970878E-04 26 1.4334351E-01 7.1700469E-09 -5.4217510E-08 2.1669355E-07 -2.0416560E-05 -9.3724960E-04 27 6.3864096E-02 -3.0885707E-09 2.2856952E-08 -6.5622169E-08 1.7213598E-06 -9.4110634E-04 28 2.7916540E-02 6.2541142E-10 -5.6500136E-09 2.5745726E-08 -9.2335999E-07 -2.0795905E-04 2p- 3p- 4p- 5p- 1 1.4907153E+06 -1.7207997E-05 7.7715844E-06 -3.0805822E-06 6.4674165E-07 2 2.1659175E+05 -6.9898752E-05 3.1614296E-05 -1.2545894E-05 2.6434107E-06 3 4.6302919E+04 -2.4188902E-04 1.0955356E-04 -4.3438003E-05 9.1112771E-06 4 1.2596959E+04 -7.5907306E-04 3.4472870E-04 -1.3691946E-04 2.8864593E-05 5 4.1230383E+03 -2.1253456E-03 9.6911554E-04 -3.8470534E-04 8.0688592E-05 6 1.5498180E+03 -5.2678456E-03 2.4253631E-03 -9.6577037E-04 2.0371632E-04 7 6.4419076E+02 -1.1341530E-02 5.3245159E-03 -2.1247726E-03 4.4580097E-04 8 2.8835997E+02 -2.0252454E-02 9.8711139E-03 -3.9729692E-03 8.3992657E-04 9 1.3613524E+02 -2.7441311E-02 1.4104264E-02 -5.7244271E-03 1.2014892E-03 10 6.6776927E+01 -2.4451137E-02 1.3101044E-02 -5.3879397E-03 1.1494874E-03 11 3.3504567E+01 -1.0861953E-02 1.9440578E-03 -3.1331519E-04 3.1526564E-05 12 1.6971418E+01 -1.5934236E-03 -1.1159506E-02 6.0990083E-03 -1.3066267E-03 13 8.7292632E+00 -1.3878217E-05 -1.2448219E-02 7.8299187E-03 -1.8083611E-03 14 4.5600571E+00 3.9586017E-05 -4.2975797E-03 1.3133925E-03 -1.3369231E-04 15 2.3187644E+00 2.4421057E-05 -3.8469221E-04 -5.4526594E-03 1.4113530E-03 16 1.1294787E+00 1.5412849E-05 -1.3985559E-05 -4.6008301E-03 1.4295030E-03 17 5.2547213E-01 1.0891154E-05 -2.4669416E-06 -1.2441490E-03 9.2153516E-05 18 1.7068938E-01 6.2538149E-06 -4.9549306E-07 -5.1087090E-05 -1.1453484E-03 19 6.6643594E-02 1.3464976E-06 -6.6517080E-08 4.3491409E-06 -1.1622237E-03 20 2.6001400E-02 2.0855421E-06 -1.3802934E-07 -8.2509386E-07 -3.2404255E-04 2p+ 3p+ 4p+ 5p+ 1 1.4907153E+06 -2.4493225E-06 1.1125601E-06 -4.3861042E-07 8.9851908E-08 2 2.1659175E+05 -1.9982859E-05 9.0927901E-06 -3.6007838E-06 7.4797269E-07 3 4.6302919E+04 -1.1137326E-04 5.0643357E-05 -1.9992839E-05 4.1119943E-06 4 1.2596959E+04 -4.6781368E-04 2.1320908E-04 -8.4392506E-05 1.7487346E-05 5 4.1230383E+03 -1.5609232E-03 7.1357341E-04 -2.8208666E-04 5.8101131E-05 6 1.5498180E+03 -4.3108036E-03 1.9894191E-03 -7.8911900E-04 1.6347432E-04 7 6.4419076E+02 -9.9630614E-03 4.6848197E-03 -1.8616454E-03 3.8374948E-04 8 2.8835997E+02 -1.8772500E-02 9.1604091E-03 -3.6715652E-03 7.6194215E-04 9 1.3613524E+02 -2.6684924E-02 1.3729309E-02 -5.5482131E-03 1.1447529E-03 10 6.6776927E+01 -2.5100467E-02 1.3625865E-02 -5.5924778E-03 1.1693375E-03 11 3.3504567E+01 -1.2026606E-02 3.3099295E-03 -9.5759800E-04 1.7170006E-04 12 1.6971418E+01 -2.0583172E-03 -1.0134018E-02 5.5084171E-03 -1.1614786E-03 13 8.7292632E+00 -9.7019454E-05 -1.2611255E-02 7.8540820E-03 -1.7662042E-03 14 4.5600571E+00 -6.8511873E-07 -4.7682565E-03 1.9398712E-03 -3.0269507E-04 15 2.3187644E+00 -8.4400062E-07 -4.7939955E-04 -5.0705298E-03 1.2915122E-03 16 1.1294787E+00 1.0636327E-06 -1.6377219E-05 -4.7024047E-03 1.4000788E-03 17 5.2547213E-01 -1.2674135E-07 -2.1583867E-06 -1.4189083E-03 2.2221727E-04 18 1.7068938E-01 4.9274359E-08 -1.0949934E-07 -6.8691485E-05 -1.0315584E-03 19 6.6643594E-02 -1.5552109E-08 2.6043295E-08 6.2361670E-06 -1.1737935E-03 20 2.6001400E-02 3.3762268E-09 -2.1114991E-09 -1.5111423E-06 -3.6832955E-04 3d- 4d- 1 2.4682677E+03 -9.2901183E-05 3.0317086E-05 2 6.9380867E+02 -5.1172649E-04 1.6651378E-04 3 2.6026103E+02 -1.8682747E-03 6.1332438E-04 4 1.1248845E+02 -4.9345087E-03 1.6261912E-03 5 5.2616976E+01 -9.6842097E-03 3.2521565E-03 6 2.5867569E+01 -1.3538416E-02 4.5099230E-03 7 1.2971122E+01 -1.2807071E-02 4.0841009E-03 8 6.5831842E+00 -7.1160722E-03 1.2634778E-03 9 3.2888878E+00 -1.6891857E-03 -2.9979746E-03 10 1.5876293E+00 -1.1087980E-04 -4.5443813E-03 11 7.2690652E-01 -5.9591303E-06 -3.2007651E-03 12 3.1242887E-01 -1.1042164E-08 -1.3137161E-03 13 1.2236687E-01 -8.9922583E-08 -2.1910421E-04 3d+ 4d+ 1 2.4682677E+03 -7.9207928E-05 2.5619895E-05 2 6.9380867E+02 -4.6761868E-04 1.5075158E-04 3 2.6026103E+02 -1.7685040E-03 5.7525751E-04 4 1.1248845E+02 -4.7705250E-03 1.5577301E-03 5 5.2616976E+01 -9.4886147E-03 3.1574340E-03 6 2.5867569E+01 -1.3401805E-02 4.4287735E-03 7 1.2971122E+01 -1.2829117E-02 4.0681793E-03 8 6.5831842E+00 -7.2461424E-03 1.3455803E-03 9 3.2888878E+00 -1.7592445E-03 -2.8608801E-03 10 1.5876293E+00 -1.2046663E-04 -4.4696441E-03 11 7.2690652E-01 -7.1374443E-06 -3.2155564E-03 12 3.1242887E-01 -3.5814481E-07 -1.3612365E-03 13 1.2236687E-01 -2.5871786E-07 -2.4265056E-04 ** Cd 114 ** Large component functions ------------------------- 1s+ 2s+ 3s+ 4s+ 5s+ 1 7.8907192E+07 1.7426167E-05 -5.9374141E-06 2.5974941E-06 -1.1003472E-06 2.7228688E-07 2 2.0089938E+07 4.5645957E-05 -1.5579692E-05 6.8174446E-06 -2.8877975E-06 7.1447403E-07 3 6.4033095E+06 1.0537383E-04 -3.6043511E-05 1.5777036E-05 -6.6845866E-06 1.6543251E-06 4 2.2302602E+06 2.3085877E-04 -7.9204838E-05 3.4684074E-05 -1.4692866E-05 3.6348543E-06 5 8.3424865E+05 5.0566806E-04 -1.7416472E-04 7.6310095E-05 -3.2341149E-05 8.0053384E-06 6 3.2876771E+05 1.1100430E-03 -3.8400550E-04 1.6835172E-04 -7.1325056E-05 1.7642407E-05 7 1.3576023E+05 2.4576057E-03 -8.5478939E-04 3.7504185E-04 -1.5901391E-04 3.9371264E-05 8 5.8394124E+04 5.4646351E-03 -1.9119344E-03 8.3954064E-04 -3.5573616E-04 8.7972680E-05 9 2.6063215E+04 1.2102589E-02 -4.2719592E-03 1.8782809E-03 -7.9686124E-04 1.9737520E-04 10 1.2027159E+04 2.6353441E-02 -9.4243444E-03 4.1512864E-03 -1.7597166E-03 4.3506417E-04 11 5.7201283E+03 5.5335462E-02 -2.0285265E-02 8.9682139E-03 -3.8099325E-03 9.4424501E-04 12 2.7954193E+03 1.0882006E-01 -4.1699465E-02 1.8555286E-02 -7.8789245E-03 1.9476140E-03 13 1.3997745E+03 1.9080024E-01 -7.9608478E-02 3.5881583E-02 -1.5309166E-02 3.7992728E-03 14 7.1636197E+02 2.7422018E-01 -1.3296169E-01 6.1347870E-02 -2.6220458E-02 6.4819370E-03 15 3.7355733E+02 2.7835817E-01 -1.7207109E-01 8.2714767E-02 -3.5809650E-02 8.9280713E-03 16 1.9717265E+02 1.5673504E-01 -1.0287404E-01 5.1611078E-02 -2.2289753E-02 5.4589877E-03 17 1.0217552E+02 3.1031139E-02 1.8382024E-01 -1.1726906E-01 5.3013292E-02 -1.3097650E-02 18 5.5208655E+01 7.4627923E-06 4.9761284E-01 -4.0854979E-01 1.9853274E-01 -5.0613569E-02 19 2.9911719E+01 6.8799561E-04 3.9856617E-01 -4.3738504E-01 2.2158005E-01 -5.5809088E-02 20 1.5878244E+01 -4.1235312E-04 9.7889388E-02 1.1575234E-01 -6.3066453E-02 1.4405358E-02 21 8.7515437E+00 1.9520698E-04 2.6617590E-03 7.1547578E-01 -6.0813488E-01 1.7448554E-01 22 4.8082598E+00 -1.3201036E-04 1.7863908E-03 4.4486564E-01 -5.6079471E-01 1.5988939E-01 23 2.4971446E+00 6.7056235E-05 -7.1510509E-04 5.9420672E-02 3.7546649E-01 -1.3579656E-01 24 1.2724674E+00 -2.7164918E-05 1.5753067E-04 1.7452684E-03 7.8574586E-01 -3.3334194E-01 25 6.1883555E-01 1.0164117E-05 -9.2391753E-05 9.2610150E-04 3.0331527E-01 -2.1294049E-01 26 1.8251647E-01 -3.0478329E-06 2.2770203E-05 -4.4858720E-05 1.0597170E-02 3.2276734E-01 27 7.9907210E-02 1.7663392E-06 -1.2731327E-05 2.3766895E-05 -2.5931886E-03 6.1769910E-01 28 3.4389546E-02 -5.3931546E-07 4.2382468E-06 -1.3730742E-05 6.1215962E-04 2.5436040E-01 2p- 3p- 4p- 5p- 1 1.6914084E+06 7.1994359E-05 -3.2687716E-05 1.3159112E-05 -2.4540559E-06 2 2.4598000E+05 2.3091960E-04 -1.0488116E-04 4.2227782E-05 -7.8768787E-06 3 5.2403771E+04 6.6975401E-04 -3.0447588E-04 1.2258578E-04 -2.2852815E-05 4 1.4158919E+04 1.9313054E-03 -8.8039220E-04 3.5479574E-04 -6.6237473E-05 5 4.5972786E+03 5.9400096E-03 -2.7208165E-03 1.0965766E-03 -2.0424738E-04 6 1.7160114E+03 1.8896136E-02 -8.7441782E-03 3.5349322E-03 -6.6089830E-04 7 7.0936066E+02 5.6764140E-02 -2.6768579E-02 1.0843883E-02 -2.0193448E-03 8 3.1619434E+02 1.4582535E-01 -7.1339837E-02 2.9151909E-02 -5.4633340E-03 9 1.4883259E+02 2.8653600E-01 -1.4757152E-01 6.0778411E-02 -1.1323248E-02 10 7.2842658E+01 3.7195883E-01 -2.0045145E-01 8.3781125E-02 -1.5826811E-02 11 3.6508987E+01 2.4465769E-01 -5.6260192E-02 1.3660410E-02 -1.9883958E-03 12 1.8434358E+01 5.6518819E-02 3.1895760E-01 -1.7810930E-01 3.3925115E-02 13 9.4658197E+00 3.2792415E-03 5.2212619E-01 -3.3404804E-01 6.8085902E-02 14 4.9404284E+00 1.1737541E-04 2.5664574E-01 -8.5000040E-02 9.3784346E-03 15 2.5055220E+00 4.9759816E-06 3.2912855E-02 4.4499227E-01 -1.0202028E-01 16 1.2163195E+00 -9.0881478E-05 1.5201220E-03 5.3890835E-01 -1.4541456E-01 17 5.6312073E-01 9.8236914E-06 3.0515458E-04 2.0243467E-01 -2.4527234E-02 18 1.8005957E-01 -8.8462566E-06 8.7180071E-06 1.2672101E-02 3.0530411E-01 19 6.9551502E-02 4.2194574E-06 -5.3267034E-06 -1.5529518E-03 5.5698446E-01 20 2.6857592E-02 -1.3379909E-06 1.4895903E-07 5.7498159E-04 2.7870027E-01 2p+ 3p+ 4p+ 5p+ 1 1.6914084E+06 8.1091189E-07 -3.7146026E-07 1.4895162E-07 -2.7114674E-08 2 2.4598000E+05 9.4406155E-06 -4.3347664E-06 1.7433539E-06 -3.1917018E-07 3 5.2403771E+04 8.1872480E-05 -3.7598025E-05 1.5085107E-05 -2.7469153E-06 4 1.4158919E+04 5.5858718E-04 -2.5724809E-04 1.0349049E-04 -1.8937531E-05 5 4.5972786E+03 3.0076984E-03 -1.3890001E-03 5.5798333E-04 -1.0166391E-04 6 1.7160114E+03 1.3054717E-02 -6.0847513E-03 2.4531141E-03 -4.4893133E-04 7 7.0936066E+02 4.6144670E-02 -2.1886232E-02 8.8356760E-03 -1.6108505E-03 8 3.1619434E+02 1.3009955E-01 -6.3970580E-02 2.6053924E-02 -4.7758387E-03 9 1.4883259E+02 2.7282435E-01 -1.4119934E-01 5.7945992E-02 -1.0576174E-02 10 7.2842658E+01 3.7634292E-01 -2.0618602E-01 8.6060105E-02 -1.5874917E-02 11 3.6508987E+01 2.6634865E-01 -8.4928075E-02 2.7460635E-02 -4.6204192E-03 12 1.8434358E+01 6.8530874E-02 2.8635416E-01 -1.5914210E-01 2.9752941E-02 13 9.4658197E+00 4.2271531E-03 5.2809572E-01 -3.3445544E-01 6.6065385E-02 14 4.9404284E+00 2.8193248E-04 2.8539972E-01 -1.2318483E-01 1.8427288E-02 15 2.5055220E+00 -7.2631478E-05 4.1468618E-02 4.1174781E-01 -9.2700991E-02 16 1.2163195E+00 -6.2827771E-05 1.9137328E-03 5.5217993E-01 -1.4156643E-01 17 5.6312073E-01 -4.0080129E-06 3.8929436E-04 2.3276441E-01 -4.4694963E-02 18 1.8005957E-01 -4.9425406E-06 7.3529172E-06 1.7256304E-02 2.7136729E-01 19 6.9551502E-02 2.1812822E-06 -4.1003716E-06 -2.4335261E-03 5.5835744E-01 20 2.6857592E-02 -6.6396202E-07 -5.7845285E-07 8.7543245E-04 3.1473358E-01 3d- 4d- 1 2.8465238E+03 2.4626377E-04 -8.3723018E-05 2 7.9522469E+02 1.9472368E-03 -6.6157098E-04 3 2.9735823E+02 1.0887291E-02 -3.7265458E-03 4 1.2844138E+02 4.3334958E-02 -1.4901861E-02 5 6.0130091E+01 1.2619029E-01 -4.4161043E-02 6 2.9646796E+01 2.6014073E-01 -9.0838535E-02 7 1.4944958E+01 3.6338270E-01 -1.2193680E-01 8 7.6408180E+00 3.0534377E-01 -6.8943109E-02 9 3.8722253E+00 1.1600248E-01 1.4558117E-01 10 1.9026631E+00 1.3763956E-02 3.6461825E-01 11 8.9129975E-01 6.8790953E-04 3.9810654E-01 12 3.9458576E-01 -4.2545521E-05 2.5377151E-01 13 1.5914603E-01 2.0733015E-05 6.9881766E-02 3d+ 4d+ 1 2.8465238E+03 1.4895707E-04 -5.0297923E-05 2 7.9522469E+02 1.6064267E-03 -5.4145853E-04 3 2.9735823E+02 9.8966410E-03 -3.3611784E-03 4 1.2844138E+02 4.1191268E-02 -1.4053461E-02 5 6.0130091E+01 1.2260419E-01 -4.2569398E-02 6 2.9646796E+01 2.5627196E-01 -8.8885978E-02 7 1.4944958E+01 3.6278099E-01 -1.2117903E-01 8 7.6408180E+00 3.0996295E-01 -7.1952979E-02 9 3.8722253E+00 1.2026425E-01 1.3776910E-01 10 1.9026631E+00 1.4669600E-02 3.5795380E-01 11 8.9129975E-01 7.2357366E-04 3.9951293E-01 12 3.9458576E-01 -3.8126832E-05 2.6234423E-01 13 1.5914603E-01 2.0621239E-05 7.6740362E-02 Small component functions ------------------------- 1s+ 2s+ 3s+ 4s+ 5s+ 1 7.8907192E+07 -3.3029000E-05 1.1238071E-05 -4.9154995E-06 2.0826356E-06 -5.1551881E-07 2 2.0089938E+07 -1.1854223E-04 4.0327720E-05 -1.7638492E-05 7.4694362E-06 -1.8474691E-06 3 6.4033095E+06 -2.5554682E-04 8.6967546E-05 -3.8040598E-05 1.6118624E-05 -3.9903456E-06 4 2.2302602E+06 -5.2420668E-04 1.7839089E-04 -7.8027645E-05 3.3039217E-05 -8.1703855E-06 5 8.3424865E+05 -1.0037209E-03 3.4181856E-04 -1.4953060E-04 6.3366880E-05 -1.5689678E-05 6 3.2876771E+05 -1.8641028E-03 6.3511222E-04 -2.7784233E-04 1.1763865E-04 -2.9086777E-05 7 1.3576023E+05 -3.3354868E-03 1.1386273E-03 -4.9827482E-04 2.1119233E-04 -5.2300811E-05 8 5.8394124E+04 -5.7937680E-03 1.9830859E-03 -8.6811873E-04 3.6756610E-04 -9.0867086E-05 9 2.6063215E+04 -9.7339043E-03 3.3539154E-03 -1.4697152E-03 6.2319256E-04 -1.5437229E-04 10 1.2027159E+04 -1.5766160E-02 5.4959667E-03 -2.4123702E-03 1.0217822E-03 -2.5255225E-04 11 5.7201283E+03 -2.4309309E-02 8.6836210E-03 -3.8255267E-03 1.6241738E-03 -4.0253206E-04 12 2.7954193E+03 -3.4872119E-02 1.3026462E-02 -5.7766302E-03 2.4510713E-03 -6.0576636E-04 13 1.3997745E+03 -4.4491632E-02 1.8114583E-02 -8.1386437E-03 3.4703850E-03 -8.6120829E-04 14 7.1636197E+02 -4.6571799E-02 2.2067981E-02 -1.0153183E-02 4.3370050E-03 -1.0720044E-03 15 3.7355733E+02 -3.4511635E-02 2.0898786E-02 -1.0024513E-02 4.3381881E-03 -1.0815420E-03 16 1.9717265E+02 -1.4202939E-02 9.2175059E-03 -4.6283005E-03 1.9994197E-03 -4.8979352E-04 17 1.0217552E+02 -2.0300086E-03 -1.1644438E-02 7.3944511E-03 -3.3394402E-03 8.2479070E-04 18 5.5208655E+01 9.5049536E-09 -2.3382594E-02 1.9135272E-02 -9.2938613E-03 2.3691985E-03 19 2.9911719E+01 -2.4329248E-05 -1.3813245E-02 1.5123539E-02 -7.6601036E-03 1.9293036E-03 20 1.5878244E+01 1.0626761E-05 -2.4740429E-03 -2.9004347E-03 1.5768888E-03 -3.5971376E-04 21 8.7515437E+00 -3.7490061E-06 -4.9496154E-05 -1.3378469E-02 1.1363935E-02 -3.2602265E-03 22 4.8082598E+00 1.8704061E-06 -2.5045312E-05 -6.1687386E-03 7.7729104E-03 -2.2161945E-03 23 2.4971446E+00 -6.8405362E-07 7.2756829E-06 -5.9383831E-04 -3.7489132E-03 1.3557362E-03 24 1.2724674E+00 1.9761858E-07 -1.1791750E-06 -1.2437098E-05 -5.6018655E-03 2.3762998E-03 25 6.1883555E-01 -5.1342986E-08 4.7851157E-07 -4.6090310E-06 -1.5080691E-03 1.0586498E-03 26 1.8251647E-01 8.2871696E-09 -6.7292032E-08 1.2219747E-07 -2.8615099E-05 -8.7142801E-04 27 7.9907210E-02 -3.1420776E-09 2.6236053E-08 -4.3102877E-08 4.6336688E-06 -1.1034887E-03 28 3.4389546E-02 6.1629158E-10 -6.0954398E-09 1.6297124E-08 -7.1768809E-07 -2.9809862E-04 2p- 3p- 4p- 5p- 1 1.6914084E+06 -1.7285159E-05 7.8550042E-06 -3.1614580E-06 5.8888916E-07 2 2.4598000E+05 -6.9321051E-05 3.1553690E-05 -1.2716305E-05 2.3760340E-06 3 5.2403771E+04 -2.3728798E-04 1.0813554E-04 -4.3532119E-05 8.1023454E-06 4 1.4158919E+04 -7.4126065E-04 3.3881097E-04 -1.3666556E-04 2.5549093E-05 5 4.5972786E+03 -2.0765727E-03 9.5261184E-04 -3.8393469E-04 7.1455697E-05 6 1.7160114E+03 -5.1658829E-03 2.3926642E-03 -9.6756033E-04 1.8097958E-04 7 7.0936066E+02 -1.1198753E-02 5.2832317E-03 -2.1402041E-03 3.9846215E-04 8 3.1619434E+02 -2.0230970E-02 9.9030729E-03 -4.0473038E-03 7.5860253E-04 9 1.4883259E+02 -2.7910859E-02 1.4389610E-02 -5.9272542E-03 1.1042093E-03 10 7.2842658E+01 -2.5583709E-02 1.3819375E-02 -5.7786442E-03 1.0917580E-03 11 3.6508987E+01 -1.1890375E-02 2.7423574E-03 -6.6640580E-04 9.6877464E-05 12 1.8434358E+01 -1.8672137E-03 -1.1176723E-02 6.2345652E-03 -1.1873818E-03 13 9.4658197E+00 -1.2724852E-05 -1.3113458E-02 8.3852169E-03 -1.7089774E-03 14 4.9404284E+00 4.0062687E-05 -4.6594197E-03 1.5460594E-03 -1.7110311E-04 15 2.5055220E+00 2.8464322E-05 -4.2706374E-04 -5.7432393E-03 1.3167608E-03 16 1.2163195E+00 1.6435438E-05 -1.4706622E-05 -4.8474930E-03 1.3081035E-03 17 5.6312073E-01 1.2151617E-05 -2.6425822E-06 -1.2380512E-03 1.4996580E-04 18 1.8005957E-01 6.7958649E-06 -4.6612318E-07 -4.3085484E-05 -1.0570623E-03 19 6.9551502E-02 1.4807808E-06 -8.2555985E-08 3.5147831E-06 -1.1984615E-03 20 2.6857592E-02 2.2153506E-06 -1.4241050E-07 -5.1108129E-07 -3.7267345E-04 2p+ 3p+ 4p+ 5p+ 1 1.6914084E+06 -2.2743938E-06 1.0396326E-06 -4.1597621E-07 7.5417216E-08 2 2.4598000E+05 -1.8557275E-05 8.5050798E-06 -3.4224663E-06 6.2778996E-07 3 5.2403771E+04 -1.0411082E-04 4.7651270E-05 -1.9099274E-05 3.4744901E-06 4 1.4158919E+04 -4.4214535E-04 2.0290933E-04 -8.1592507E-05 1.4935202E-05 5 4.5972786E+03 -1.4926706E-03 6.8672398E-04 -2.7565057E-04 5.0208664E-05 6 1.7160114E+03 -4.1679726E-03 1.9356526E-03 -7.7989501E-04 1.4272663E-04 7 7.0936066E+02 -9.7451576E-03 4.6061293E-03 -1.8583210E-03 3.3874819E-04 8 3.1619434E+02 -1.8633857E-02 9.1342304E-03 -3.7182136E-03 6.8154256E-04 9 1.4883259E+02 -2.7031927E-02 1.3953363E-02 -5.7235701E-03 1.0445750E-03 10 7.2842658E+01 -2.6203581E-02 1.4326618E-02 -5.9781003E-03 1.1027075E-03 11 3.6508987E+01 -1.3158534E-02 4.2006420E-03 -1.3614257E-03 2.2924897E-04 12 1.8434358E+01 -2.4070913E-03 -1.0018588E-02 5.5652570E-03 -1.0403903E-03 13 9.4658197E+00 -1.0665127E-04 -1.3256746E-02 8.3923797E-03 -1.6576915E-03 14 4.9404284E+00 -4.9509684E-06 -5.1783407E-03 2.2353835E-03 -3.3452183E-04 15 2.5055220E+00 8.4870486E-07 -5.3571006E-04 -5.3169733E-03 1.1969993E-03 16 1.2163195E+00 6.0866704E-07 -1.7279767E-05 -4.9686428E-03 1.2737815E-03 17 5.6312073E-01 8.4212399E-09 -2.3637450E-06 -1.4251727E-03 2.7365623E-04 18 1.8005957E-01 2.2367439E-08 -3.1965843E-08 -5.9741644E-05 -9.3946800E-04 19 6.9551502E-02 -7.3444624E-09 1.2118689E-08 5.2347971E-06 -1.2013953E-03 20 2.6857592E-02 1.7988308E-09 -3.6112410E-10 -1.1699932E-06 -4.2082147E-04 3d- 4d- 1 2.8465238E+03 -8.3427078E-05 2.8388559E-05 2 7.9522469E+02 -4.6381386E-04 1.5755453E-04 3 2.9735823E+02 -1.7172937E-03 5.8784926E-04 4 1.2844138E+02 -4.6359553E-03 1.5941697E-03 5 6.0130091E+01 -9.3506861E-03 3.2724975E-03 6 2.9646796E+01 -1.3608962E-02 4.7528894E-03 7 1.4944958E+01 -1.3528956E-02 4.5408686E-03 8 7.6408180E+00 -8.1357581E-03 1.8381027E-03 9 3.8722253E+00 -2.1980489E-03 -2.7641290E-03 10 1.9026631E+00 -1.8074106E-04 -4.8542341E-03 11 8.9129975E-01 -5.1010415E-06 -3.6278650E-03 12 3.9458576E-01 6.4519673E-07 -1.5387388E-03 13 1.5914603E-01 1.3121115E-07 -2.6905523E-04 3d+ 4d+ 1 2.8465238E+03 -7.0126200E-05 2.3670742E-05 2 7.9522469E+02 -4.2044601E-04 1.4163489E-04 3 2.9735823E+02 -1.6173313E-03 5.4904948E-04 4 1.2844138E+02 -4.4670401E-03 1.5234154E-03 5 6.0130091E+01 -9.1422635E-03 3.1731612E-03 6 2.9646796E+01 -1.3450535E-02 4.6638718E-03 7 1.4944958E+01 -1.3532602E-02 4.5192762E-03 8 7.6408180E+00 -8.2721493E-03 1.9204578E-03 9 3.8722253E+00 -2.2852830E-03 -2.6161643E-03 10 1.9026631E+00 -1.9542223E-04 -4.7661047E-03 11 8.9129975E-01 -6.5886367E-06 -3.6410194E-03 12 3.9458576E-01 2.2814415E-07 -1.5908541E-03 13 1.5914603E-01 -7.8484242E-08 -2.9553704E-04 Spin-free Dirac-Hartree-Fock basis sets ======================================= ** Y 89 ** Large component functions ------------------------- 1s 2s 3s 4s 5s 1 8.4351209E+07 7.6633047E-06 -2.5185517E-06 1.0410907E-06 -3.8145057E-07 1.0261153E-07 2 2.0172259E+07 2.1579580E-05 -7.1016383E-06 2.9360516E-06 -1.0756190E-06 2.8934337E-07 3 5.9987648E+06 5.3879594E-05 -1.7763047E-05 7.3458232E-06 -2.6918640E-06 7.2413120E-07 4 1.9641095E+06 1.2829877E-04 -4.2395697E-05 1.7537104E-05 -6.4247081E-06 1.7282684E-06 5 6.9574117E+05 3.0520666E-04 -1.0116148E-04 4.1865294E-05 -1.5345166E-05 4.1280627E-06 6 2.6217647E+05 7.2795423E-04 -2.4202350E-04 1.0019246E-04 -3.6704893E-05 9.8738220E-06 7 1.0439347E+05 1.7423300E-03 -5.8156299E-04 2.4090753E-04 -8.8331717E-05 2.3763257E-05 8 4.3630712E+04 4.1566752E-03 -1.3931587E-03 5.7733788E-04 -2.1149771E-04 5.6894646E-05 9 1.9035842E+04 9.7877709E-03 -3.3040697E-03 1.3707996E-03 -5.0286941E-04 1.3529023E-04 10 8.6264284E+03 2.2461767E-02 -7.6676491E-03 3.1853032E-03 -1.1670660E-03 3.1396268E-04 11 4.0432005E+03 4.9338304E-02 -1.7235429E-02 7.1843345E-03 -2.6384133E-03 7.0991956E-04 12 1.9520169E+03 1.0104567E-01 -3.6820664E-02 1.5432668E-02 -5.6609960E-03 1.5231886E-03 13 9.6680789E+02 1.8423050E-01 -7.2961356E-02 3.0948741E-02 -1.1405198E-02 3.0701335E-03 14 4.8961782E+02 2.7543985E-01 -1.2676539E-01 5.4925889E-02 -2.0247796E-02 5.4518905E-03 15 2.5264831E+02 2.9117208E-01 -1.7313142E-01 7.8094961E-02 -2.9132615E-02 7.8541983E-03 16 1.3171666E+02 1.7054341E-01 -1.1987495E-01 5.6887538E-02 -2.1172023E-02 5.7101720E-03 17 6.6911370E+01 3.4534834E-02 1.5621310E-01 -8.9697746E-02 3.4269110E-02 -9.2763331E-03 18 3.5693085E+01 -2.3029869E-04 4.9580169E-01 -3.6773020E-01 1.5075161E-01 -4.1163015E-02 19 1.9076770E+01 9.1934940E-04 4.1863643E-01 -4.3001856E-01 1.8231437E-01 -4.9999933E-02 20 9.9736364E+00 -4.8556810E-04 1.0615046E-01 7.1779132E-02 -3.4156484E-02 9.2590802E-03 21 5.1877309E+00 2.0968447E-04 4.5477001E-03 6.7576995E-01 -4.1849970E-01 1.2204144E-01 22 2.7007866E+00 -1.3878191E-04 1.6667313E-03 4.8832004E-01 -5.2587464E-01 1.6461337E-01 23 1.2568139E+00 7.2781020E-05 -5.0716075E-04 6.1508205E-02 1.7812695E-01 -7.2483438E-02 24 6.4606127E-01 -3.8213475E-05 1.7486308E-04 -2.9320347E-03 7.5091065E-01 -3.0338270E-01 25 3.1163398E-01 1.5256637E-05 -1.0206660E-04 1.7829133E-03 3.9533333E-01 -3.2297848E-01 26 9.0728152E-02 -5.8069780E-06 3.2645964E-05 -3.6752655E-04 2.2354163E-02 2.8456826E-01 27 4.5010679E-02 3.9787280E-06 -2.1700808E-05 2.2779845E-04 -4.8639647E-03 6.6115529E-01 28 2.1039942E-02 -1.1522232E-06 6.7800439E-06 -7.7737842E-05 2.6247558E-03 2.6159878E-01 2p 3p 4p 5p 1 5.4060833E+05 2.1923391E-05 -9.2711126E-06 3.0968592E-06 -7.6224669E-07 2 7.9436803E+04 8.5572810E-05 -3.6214052E-05 1.2100432E-05 -2.9807516E-06 3 1.7787581E+04 3.5797826E-04 -1.5191203E-04 5.0757684E-05 -1.2481630E-05 4 5.1737773E+03 1.6032101E-03 -6.8183251E-04 2.2804703E-04 -5.6231560E-05 5 1.8065514E+03 6.8104604E-03 -2.9164838E-03 9.7568218E-04 -2.3983004E-04 6 7.1515046E+02 2.5248153E-02 -1.0926748E-02 3.6645581E-03 -9.0411220E-04 7 3.0920691E+02 7.8041099E-02 -3.4673658E-02 1.1664485E-02 -2.8679543E-03 8 1.4254978E+02 1.8962667E-01 -8.7639082E-02 2.9695843E-02 -7.3385601E-03 9 6.8664864E+01 3.3142568E-01 -1.6255175E-01 5.5562825E-02 -1.3660924E-02 10 3.4153825E+01 3.5378213E-01 -1.7340795E-01 5.9383383E-02 -1.4778093E-02 11 1.7209293E+01 1.7216278E-01 3.7300395E-02 -2.3625083E-02 6.4245209E-03 12 8.8124528E+00 2.5797034E-02 3.7217364E-01 -1.6178856E-01 4.0211096E-02 13 4.5333864E+00 2.8827003E-03 4.7301648E-01 -2.4029821E-01 6.3343558E-02 14 2.3458442E+00 -4.5392965E-04 2.1779583E-01 -6.8067502E-02 1.2290063E-02 15 1.1596685E+00 3.9096557E-04 2.6918017E-02 3.4872709E-01 -9.9462719E-02 16 5.6179599E-01 -2.1886415E-04 6.2238807E-04 5.2487779E-01 -1.8340302E-01 17 2.6625517E-01 9.1809193E-05 1.8486724E-04 2.7395512E-01 -9.4455465E-02 18 9.5370384E-02 -3.8394593E-05 -4.5389212E-05 3.1835892E-02 3.2071120E-01 19 4.1487412E-02 2.0562001E-05 1.4778772E-05 -4.0444542E-03 5.8136615E-01 20 1.7736610E-02 -6.4455522E-06 -5.4931079E-06 1.4548596E-03 2.4261530E-01 3d 4d 1 1.5281045E+03 1.9786327E-04 -3.7486938E-05 2 4.3836968E+02 1.8649875E-03 -3.5609196E-04 3 1.6618155E+02 1.0777968E-02 -2.0532421E-03 4 7.2228659E+01 4.2282144E-02 -8.1330321E-03 5 3.3819946E+01 1.2028987E-01 -2.3254685E-02 6 1.6611951E+01 2.4342211E-01 -4.7345554E-02 7 8.2918320E+00 3.4151041E-01 -6.3306748E-02 8 4.1414167E+00 3.2082070E-01 -5.3880092E-02 9 2.0227197E+00 1.6095540E-01 3.4823818E-02 10 9.0663898E-01 2.7566940E-02 2.0973003E-01 11 3.8115269E-01 1.0261182E-04 3.6436275E-01 12 1.5203328E-01 3.7285344E-04 3.9550425E-01 13 5.6199676E-02 -6.4097423E-05 2.8207664E-01 Pseudo-large component functions -------------------------------- 1s 2s 3s 4s 5s 1 8.4351209E+07 3.1228987E-07 -1.0252630E-07 4.2376785E-08 -1.5530235E-08 4.1777446E-09 2 2.0172259E+07 2.3549961E-06 -7.7299399E-07 3.1946038E-07 -1.1700120E-07 3.1472810E-08 3 5.9987648E+06 9.9084636E-06 -3.2534384E-06 1.3447675E-06 -4.9286296E-07 1.3258429E-07 4 1.9641095E+06 3.7183265E-05 -1.2207210E-05 5.0450038E-06 -1.8475164E-06 4.9697040E-07 5 6.9574117E+05 1.2508314E-04 -4.1090978E-05 1.6985804E-05 -6.2260875E-06 1.6748842E-06 6 2.6217647E+05 3.9184343E-04 -1.2875291E-04 5.3216435E-05 -1.9486390E-05 5.2416913E-06 7 1.0439347E+05 1.1453925E-03 -3.7699864E-04 1.5588385E-04 -5.7148626E-05 1.5373818E-05 8 4.3630712E+04 3.1559730E-03 -1.0410146E-03 4.3049141E-04 -1.5762439E-04 4.2399848E-05 9 1.9035842E+04 8.2135002E-03 -2.7257296E-03 1.1283431E-03 -4.1381404E-04 1.1132621E-04 10 8.6264284E+03 2.0187901E-02 -6.7707566E-03 2.8061947E-03 -1.0276733E-03 2.7644738E-04 11 4.0432005E+03 4.6433889E-02 -1.5938211E-02 6.6285415E-03 -2.4335122E-03 6.5475531E-04 12 1.9520169E+03 9.8038948E-02 -3.5120739E-02 1.4688014E-02 -5.3856089E-03 1.4490155E-03 13 9.6680789E+02 1.8229049E-01 -7.1033298E-02 3.0070208E-02 -1.1078003E-02 2.9819257E-03 14 4.8961782E+02 2.7594234E-01 -1.2508780E-01 5.4101580E-02 -1.9937517E-02 5.3681250E-03 15 2.5264831E+02 2.9388915E-01 -1.7237896E-01 7.7646479E-02 -2.8958780E-02 7.8070858E-03 16 1.3171666E+02 1.7282852E-01 -1.2041183E-01 5.7140948E-02 -2.1267496E-02 5.7359623E-03 17 6.6911370E+01 3.5061829E-02 1.5521279E-01 -8.8847505E-02 3.3923246E-02 -9.1820377E-03 18 3.5693085E+01 -2.4044831E-04 4.9594291E-01 -3.6708878E-01 1.5044437E-01 -4.1077487E-02 19 1.9076770E+01 9.3310847E-04 4.1932851E-01 -4.3008179E-01 1.8232247E-01 -5.0001753E-02 20 9.9736364E+00 -4.9328264E-04 1.0637804E-01 7.1490801E-02 -3.3982556E-02 9.2097456E-03 21 5.1877309E+00 2.1362943E-04 4.5455092E-03 6.7580144E-01 -4.1837474E-01 1.2199891E-01 22 2.7007866E+00 -1.4100318E-04 1.6760006E-03 4.8847334E-01 -5.2589173E-01 1.6461700E-01 23 1.2568139E+00 7.3989682E-05 -5.1346346E-04 6.1531666E-02 1.7808379E-01 -7.2463023E-02 24 6.4606127E-01 -3.8866819E-05 1.7943480E-04 -2.9343041E-03 7.5093206E-01 -3.0337937E-01 25 3.1163398E-01 1.5504761E-05 -1.0449925E-04 1.7838922E-03 3.9534816E-01 -3.2297910E-01 26 9.0728152E-02 -5.9010167E-06 3.4356930E-05 -3.6798373E-04 2.2356999E-02 2.8456447E-01 27 4.5010679E-02 4.0415923E-06 -2.3400086E-05 2.2820992E-04 -4.8661326E-03 6.6115833E-01 28 2.1039942E-02 -1.1694538E-06 7.5568882E-06 -7.7910683E-05 2.6256734E-03 2.6159885E-01 2p 3p 4p 5p 1 5.4060833E+05 1.2866147E-06 -5.4532187E-07 1.8211514E-07 -4.4726888E-08 2 7.9436803E+04 1.9640893E-05 -8.3165867E-06 2.7803615E-06 -6.8614225E-07 3 1.7787581E+04 1.8464162E-04 -7.8395414E-05 2.6189287E-05 -6.4337459E-06 4 5.1737773E+03 1.2163279E-03 -5.1679030E-04 1.7284047E-04 -4.2637078E-05 5 1.8065514E+03 6.0528292E-03 -2.5889423E-03 8.6590615E-04 -2.1280117E-04 6 7.1515046E+02 2.3959384E-02 -1.0354601E-02 3.4720304E-03 -8.5666986E-04 7 3.0920691E+02 7.6215366E-02 -3.3819344E-02 1.1374782E-02 -2.7965502E-03 8 1.4254978E+02 1.8764542E-01 -8.6632576E-02 2.9350519E-02 -7.2532818E-03 9 6.8664864E+01 3.2996490E-01 -1.6171597E-01 5.5271077E-02 -1.3588858E-02 10 3.4153825E+01 3.5311840E-01 -1.7307497E-01 5.9273508E-02 -1.4751015E-02 11 1.7209293E+01 1.7165648E-01 3.7245687E-02 -2.3570925E-02 6.4100415E-03 12 8.8124528E+00 2.5195745E-02 3.7213846E-01 -1.6172682E-01 4.0194629E-02 13 4.5333864E+00 2.3392182E-03 4.7310930E-01 -2.4028869E-01 6.3339710E-02 14 2.3458442E+00 -9.2181654E-04 2.1789321E-01 -6.8121054E-02 1.2305392E-02 15 1.1596685E+00 -4.3004919E-05 2.6956771E-02 3.4867750E-01 -9.9447453E-02 16 5.6179599E-01 -5.5911899E-04 6.5229409E-04 5.2485346E-01 -1.8339330E-01 17 2.6625517E-01 -2.6101551E-04 2.1180166E-04 2.7393320E-01 -9.4450541E-02 18 9.5370384E-02 -4.0092127E-04 -1.5184169E-05 3.1806010E-02 3.2071477E-01 19 4.1487412E-02 -6.9556322E-05 2.1201574E-05 -4.0517105E-03 5.8136769E-01 20 1.7736610E-02 -3.6157438E-04 2.3539883E-05 1.4251012E-03 2.4262051E-01 3d 4d 1 1.5281045E+03 1.7116369E-04 -3.2409790E-05 2 4.3836968E+02 1.7826130E-03 -3.4036279E-04 3 1.6618155E+02 1.0578315E-02 -2.0149185E-03 4 7.2228659E+01 4.1946534E-02 -8.0678557E-03 5 3.3819946E+01 1.1986277E-01 -2.3170184E-02 6 1.6611951E+01 2.4305035E-01 -4.7271623E-02 7 8.2918320E+00 3.4127170E-01 -6.3260923E-02 8 4.1414167E+00 3.2071915E-01 -5.3864602E-02 9 2.0227197E+00 1.6090193E-01 3.4816008E-02 10 9.0663898E-01 2.7527836E-02 2.0971663E-01 11 3.8115269E-01 7.7866183E-05 3.6435465E-01 12 1.5203328E-01 3.6081468E-04 3.9550048E-01 13 5.6199676E-02 -7.2448252E-05 2.8207496E-01 Foldy-Wouthuysen functions -------------------------- 1s 2s 3s 4s 5s 1 8.4351209E+07 2.2739668E-05 -7.5573364E-06 3.1268508E-06 -1.1467404E-06 3.0838267E-07 2 2.0172259E+07 5.8954321E-05 -1.9582659E-05 8.0934765E-06 -2.9645675E-06 7.9754074E-07 3 5.9987648E+06 1.2974122E-04 -4.3181339E-05 1.7881660E-05 -6.5602161E-06 1.7640507E-06 4 1.9641095E+06 2.6902202E-04 -8.9401659E-05 3.6966181E-05 -1.3534643E-05 3.6417163E-06 5 6.9574117E+05 5.4731750E-04 -1.8227449E-04 7.5571454E-05 -2.7727417E-05 7.4563472E-06 6 2.6217647E+05 1.1155127E-03 -3.7062415E-04 1.5341882E-04 -5.6155366E-05 1.5111266E-05 7 1.0439347E+05 2.3242794E-03 -7.7404887E-04 3.2124646E-04 -1.1786604E-04 3.1697523E-05 8 4.3630712E+04 4.9917324E-03 -1.6627132E-03 6.8902350E-04 -2.5220464E-04 6.7871297E-05 9 1.9035842E+04 1.0979775E-02 -3.6860836E-03 1.5308941E-03 -5.6181193E-04 1.5113455E-04 10 8.6264284E+03 2.4193899E-02 -8.2143277E-03 3.4117227E-03 -1.2496307E-03 3.3624390E-04 11 4.0432005E+03 5.1844576E-02 -1.8056093E-02 7.5292096E-03 -2.7647362E-03 7.4379939E-04 12 1.9520169E+03 1.0436908E-01 -3.7977405E-02 1.5915290E-02 -5.8368989E-03 1.5706347E-03 13 9.6680789E+02 1.8784597E-01 -7.4442908E-02 3.1590953E-02 -1.1643669E-02 3.1342845E-03 14 4.8961782E+02 2.7803722E-01 -1.2827681E-01 5.5614385E-02 -2.0502177E-02 5.5206213E-03 15 2.5264831E+02 2.9156745E-01 -1.7413006E-01 7.8601815E-02 -2.9326658E-02 7.9065728E-03 16 1.3171666E+02 1.6957379E-01 -1.1967635E-01 5.6879701E-02 -2.1171551E-02 5.7103475E-03 17 6.6911370E+01 3.3989016E-02 1.5729253E-01 -9.0229614E-02 3.4466461E-02 -9.3297324E-03 18 3.5693085E+01 -3.5788075E-04 4.9660271E-01 -3.6843817E-01 1.5105459E-01 -4.1246100E-02 19 1.9076770E+01 9.0023204E-04 4.1848677E-01 -4.3010899E-01 1.8236582E-01 -5.0014272E-02 20 9.9736364E+00 -4.9878677E-04 1.0599067E-01 7.2096185E-02 -3.4282774E-02 9.2929968E-03 21 5.1877309E+00 2.0827251E-04 4.5105643E-03 6.7595425E-01 -4.1863256E-01 1.2208140E-01 22 2.7007866E+00 -1.4176937E-04 1.6655614E-03 4.8827379E-01 -5.2588650E-01 1.6461918E-01 23 1.2568139E+00 7.2545290E-05 -5.1100788E-04 6.1485325E-02 1.7818267E-01 -7.2501837E-02 24 6.4606127E-01 -3.8915201E-05 1.7593155E-04 -2.9377112E-03 7.5092650E-01 -3.0339049E-01 25 3.1163398E-01 1.5202802E-05 -1.0303677E-04 1.7844541E-03 3.9532547E-01 -3.2297745E-01 26 9.0728152E-02 -5.8928785E-06 3.2693983E-05 -3.6808394E-04 2.2353271E-02 2.8457135E-01 27 4.5010679E-02 3.9843800E-06 -2.1778277E-05 2.2812269E-04 -4.8650410E-03 6.6115584E-01 28 2.1039942E-02 -1.1807845E-06 6.8046119E-06 -7.7922966E-05 2.6251756E-03 2.6159827E-01 2p 3p 4p 5p 1 5.4060833E+05 2.3144992E-05 -9.7431942E-06 3.2502001E-06 -7.9785938E-07 2 7.9436803E+04 9.1542472E-05 -3.8610721E-05 1.2909243E-05 -3.1885564E-06 3 1.7787581E+04 3.7774765E-04 -1.5983485E-04 5.3351787E-05 -1.3093262E-05 4 5.1737773E+03 1.6597137E-03 -7.0468495E-04 2.3573208E-04 -5.8187218E-05 5 1.8065514E+03 6.9696434E-03 -2.9816370E-03 9.9719351E-04 -2.4498930E-04 6 7.1515046E+02 2.5626736E-02 -1.1086233E-02 3.7181449E-03 -9.1754404E-04 7 3.0920691E+02 7.8734720E-02 -3.4979680E-02 1.1767050E-02 -2.8928440E-03 8 1.4254978E+02 1.9053519E-01 -8.8072301E-02 2.9844064E-02 -7.3756526E-03 9 6.8664864E+01 3.3214501E-01 -1.6295149E-01 5.5702278E-02 -1.3694742E-02 10 3.4153825E+01 3.5395776E-01 -1.7354164E-01 5.9433742E-02 -1.4791416E-02 11 1.7209293E+01 1.7204211E-01 3.7476697E-02 -2.3695605E-02 6.4430583E-03 12 8.8124528E+00 2.5752867E-02 3.7235063E-01 -1.6186293E-01 4.0228971E-02 13 4.5333864E+00 2.8761881E-03 4.7305929E-01 -2.4033555E-01 6.3354633E-02 14 2.3458442E+00 -4.5397439E-04 2.1776946E-01 -6.8048612E-02 1.2284038E-02 15 1.1596685E+00 3.9022178E-04 2.6911662E-02 3.4875366E-01 -9.9469521E-02 16 5.6179599E-01 -2.1859947E-04 6.2088375E-04 5.2488394E-01 -1.8340676E-01 17 2.6625517E-01 9.1667986E-05 1.8509292E-04 2.7395256E-01 -9.4454470E-02 18 9.5370384E-02 -3.8352228E-05 -4.5529212E-05 3.1835283E-02 3.2071310E-01 19 4.1487412E-02 2.0535766E-05 1.4854128E-05 -4.0446382E-03 5.8136672E-01 20 1.7736610E-02 -6.4378492E-06 -5.5177075E-06 1.4549146E-03 2.4261507E-01 3d 4d 1 1.5281045E+03 2.0235021E-04 -3.8306300E-05 2 4.3836968E+02 1.8843096E-03 -3.5982368E-04 3 1.6618155E+02 1.0839427E-02 -2.0647920E-03 4 7.2228659E+01 4.2409795E-02 -8.1577455E-03 5 3.3819946E+01 1.2047554E-01 -2.3290765E-02 6 1.6611951E+01 2.4359896E-01 -4.7380706E-02 7 8.2918320E+00 3.4161084E-01 -6.3325248E-02 8 4.1414167E+00 3.2084822E-01 -5.3885894E-02 9 2.0227197E+00 1.6094985E-01 3.4832351E-02 10 9.0663898E-01 2.7564336E-02 2.0973942E-01 11 3.8115269E-01 1.0234351E-04 3.6436755E-01 12 1.5203328E-01 3.7288275E-04 3.9550568E-01 13 5.6199676E-02 -6.4109614E-05 2.8207673E-01 ** Zr 90 ** Large component functions ------------------------- 1s 2s 3s 4s 5s 1 8.4191304E+07 8.4479534E-06 -2.7879759E-06 1.1614873E-06 -4.3713311E-07 1.1839849E-07 2 2.0196144E+07 2.3683706E-05 -7.8268927E-06 3.2612969E-06 -1.2272670E-06 3.3239687E-07 3 6.0192378E+06 5.8911514E-05 -1.9504681E-05 8.1293260E-06 -3.0599682E-06 8.2882293E-07 4 1.9738252E+06 1.3950554E-04 -4.6300074E-05 1.9303099E-05 -7.2640932E-06 1.9674136E-06 5 7.0080146E+05 3.2935502E-04 -1.0965381E-04 4.5736888E-05 -1.7220090E-05 4.6644561E-06 6 2.6486827E+05 7.7909876E-04 -2.6023206E-04 1.0858532E-04 -4.0862584E-05 1.1067070E-05 7 1.0578567E+05 1.8500761E-03 -6.2049936E-04 2.5906943E-04 -9.7574651E-05 2.6432181E-05 8 4.4330494E+04 4.3835047E-03 -1.4766194E-03 6.1682824E-04 -2.3212136E-04 6.2865289E-05 9 1.9379750E+04 1.0264360E-02 -3.4833409E-03 1.4566963E-03 -5.4892158E-04 1.4871296E-04 10 8.7946721E+03 2.3437532E-02 -8.0468289E-03 3.3700558E-03 -1.2684496E-03 3.4353263E-04 11 4.1267361E+03 5.1206619E-02 -1.8002550E-02 7.5651992E-03 -2.8540222E-03 7.7335749E-04 12 1.9949760E+03 1.0410976E-01 -3.8226877E-02 1.6158430E-02 -6.0895250E-03 1.6494405E-03 13 9.9011784E+02 1.8782729E-01 -7.5094089E-02 3.2131042E-02 -1.2166010E-02 3.2985174E-03 14 5.0287780E+02 2.7684847E-01 -1.2897422E-01 5.6418473E-02 -2.1373631E-02 5.7930698E-03 15 2.6040596E+02 2.8723927E-01 -1.7300104E-01 7.8809259E-02 -3.0223739E-02 8.2107601E-03 16 1.3637011E+02 1.6436710E-01 -1.1418971E-01 5.4720398E-02 -2.0924699E-02 5.6734779E-03 17 6.9780335E+01 3.2561370E-02 1.6464028E-01 -9.6092091E-02 3.7837169E-02 -1.0298377E-02 18 3.7404116E+01 -9.9726026E-05 4.9521457E-01 -3.7346776E-01 1.5794330E-01 -4.3524848E-02 19 2.0103068E+01 8.0494171E-04 4.1222422E-01 -4.2797715E-01 1.8708258E-01 -5.1648546E-02 20 1.0588033E+01 -4.2850445E-04 1.0509437E-01 7.4198405E-02 -3.5682629E-02 9.5467259E-03 21 5.5574419E+00 1.7843180E-04 4.6956286E-03 6.7680365E-01 -4.3928248E-01 1.3021817E-01 22 2.9254403E+00 -1.2303314E-04 1.6133287E-03 4.8701532E-01 -5.4280914E-01 1.7167226E-01 23 1.3954975E+00 6.4304158E-05 -5.0075838E-04 6.3636277E-02 1.9470210E-01 -7.9497882E-02 24 7.1847945E-01 -3.2171903E-05 1.5392066E-04 -2.0810125E-03 7.6042013E-01 -3.1839586E-01 25 3.4829665E-01 1.2972828E-05 -9.6173637E-05 1.6516057E-03 3.8841022E-01 -3.0989593E-01 26 1.0475655E-01 -4.7049963E-06 2.8790704E-05 -2.9970111E-04 2.2349556E-02 2.7565113E-01 27 5.0577364E-02 3.0538881E-06 -1.7779956E-05 1.6847533E-04 -3.8677412E-03 6.5995838E-01 28 2.3214054E-02 -8.8368382E-07 5.8082671E-06 -6.4382081E-05 2.5517318E-03 2.7264153E-01 2p 3p 4p 5p 1 6.2749634E+05 2.1506113E-05 -9.1889114E-06 3.1791521E-06 -7.8644397E-07 2 9.1915913E+04 8.2605378E-05 -3.5321719E-05 1.2224258E-05 -3.0264434E-06 3 2.0411097E+04 3.3681046E-04 -1.4439341E-04 4.9970751E-05 -1.2349594E-05 4 5.8756180E+03 1.4830563E-03 -6.3732781E-04 2.2079223E-04 -5.4722459E-05 5 2.0333044E+03 6.2855269E-03 -2.7187852E-03 9.4207330E-04 -2.3271179E-04 6 7.9947804E+02 2.3450414E-02 -1.0248670E-02 3.5601687E-03 -8.8292777E-04 7 3.4393220E+02 7.3321255E-02 -3.2858797E-02 1.1448818E-02 -2.8288807E-03 8 1.5798947E+02 1.8125999E-01 -8.4466976E-02 2.9647496E-02 -7.3655543E-03 9 7.5932289E+01 3.2435149E-01 -1.6022705E-01 5.6735040E-02 -1.4020085E-02 10 3.7722887E+01 3.5905643E-01 -1.7950795E-01 6.3856362E-02 -1.5980360E-02 11 1.9021928E+01 1.8461019E-01 1.9302611E-02 -1.7428270E-02 4.9646619E-03 12 9.7519559E+00 3.0136922E-02 3.6054929E-01 -1.6366911E-01 4.0956678E-02 13 5.0248730E+00 3.1068121E-03 4.8136906E-01 -2.5432875E-01 6.7687106E-02 14 2.6099301E+00 -4.5477610E-04 2.2871714E-01 -7.8401987E-02 1.4553880E-02 15 1.3027378E+00 3.9590524E-04 2.9451630E-02 3.5590963E-01 -1.0369299E-01 16 6.3472007E-01 -2.2595835E-04 7.9463263E-04 5.2981042E-01 -1.8879231E-01 17 3.0063248E-01 9.0110838E-05 2.0773822E-04 2.6971510E-01 -8.1594388E-02 18 1.0710516E-01 -3.7481958E-05 -3.1865294E-05 3.0507373E-02 3.2844640E-01 19 4.5692137E-02 1.9496989E-05 1.0627280E-05 -3.7556275E-03 5.7606130E-01 20 1.9199190E-02 -6.1243813E-06 -4.2729191E-06 1.3410322E-03 2.4020690E-01 3d 4d 1 1.6433352E+03 1.9793695E-04 -4.3858531E-05 2 4.7016972E+02 1.8646933E-03 -4.1688798E-04 3 1.7800241E+02 1.0807437E-02 -2.4091670E-03 4 7.7328258E+01 4.2587435E-02 -9.5973856E-03 5 3.6216201E+01 1.2158680E-01 -2.7537151E-02 6 1.7802095E+01 2.4633115E-01 -5.6191032E-02 7 8.9007696E+00 3.4487631E-01 -7.4699272E-02 8 4.4638930E+00 3.1857018E-01 -6.1321454E-02 9 2.1964293E+00 1.5327806E-01 5.1156407E-02 10 9.9644797E-01 2.4724999E-02 2.4974773E-01 11 4.3195148E-01 1.4492915E-04 3.8832142E-01 12 1.7836956E-01 3.8780450E-04 3.7091370E-01 13 6.7990115E-02 -3.0526742E-05 2.1371875E-01 Pseudo-large component functions -------------------------------- 1s 2s 3s 4s 5s 1 8.4191304E+07 3.3617258E-07 -1.1082181E-07 4.6163166E-08 -1.7377584E-08 4.7070347E-09 2 2.0196144E+07 2.5284213E-06 -8.3335504E-07 3.4711072E-07 -1.3058640E-07 3.5366207E-08 3 6.0192378E+06 1.0609462E-05 -3.4979830E-06 1.4571306E-06 -5.4855505E-07 1.4858850E-07 4 1.9738252E+06 3.9693295E-05 -1.3085448E-05 5.4504844E-06 -2.0503142E-06 5.5526366E-07 5 7.0080146E+05 1.3285700E-04 -4.3825888E-05 1.8257667E-05 -6.8741183E-06 1.8620622E-06 6 2.6486827E+05 4.1401552E-04 -1.3661070E-04 5.6909050E-05 -2.1405554E-05 5.7968746E-06 7 1.0578567E+05 1.2042744E-03 -3.9805680E-04 1.6587601E-04 -6.2464269E-05 1.6920999E-05 8 4.4330494E+04 3.3048634E-03 -1.0948869E-03 4.5635256E-04 -1.7164195E-04 4.6481517E-05 9 1.9379750E+04 8.5736037E-03 -2.8580856E-03 1.1924139E-03 -4.4919801E-04 1.2169243E-04 10 8.7946721E+03 2.1007070E-02 -7.0801489E-03 2.9579733E-03 -1.1127806E-03 3.0134858E-04 11 4.1267361E+03 4.8125427E-02 -1.6610287E-02 6.9633940E-03 -2.6260548E-03 7.1155455E-04 12 1.9949760E+03 1.0096489E-01 -3.6414387E-02 1.5356831E-02 -5.7848563E-03 1.5668107E-03 13 9.9011784E+02 1.8587229E-01 -7.3059342E-02 3.1193915E-02 -1.1807201E-02 3.2010948E-03 14 5.0287780E+02 2.7749026E-01 -1.2723357E-01 5.5551665E-02 -2.1037971E-02 5.7018064E-03 15 2.6040596E+02 2.9012351E-01 -1.7225914E-01 7.8356594E-02 -3.0042920E-02 8.1613651E-03 16 1.3637011E+02 1.6670510E-01 -1.1478985E-01 5.5013747E-02 -2.1038736E-02 5.7045371E-03 17 6.9780335E+01 3.3086937E-02 1.6359807E-01 -9.5178190E-02 3.7453069E-02 -1.0192812E-02 18 3.7404116E+01 -1.0808148E-04 4.9538572E-01 -3.7279583E-01 1.5760940E-01 -4.3430972E-02 19 2.0103068E+01 8.1766503E-04 4.1295012E-01 -4.2805178E-01 1.8709468E-01 -5.1651448E-02 20 1.0588033E+01 -4.3570974E-04 1.0533372E-01 7.3886784E-02 -3.5487582E-02 9.4908049E-03 21 5.5574419E+00 1.8210678E-04 4.6938686E-03 6.7683597E-01 -4.3913786E-01 1.3016808E-01 22 2.9254403E+00 -1.2514514E-04 1.6230914E-03 4.8718372E-01 -5.4283256E-01 1.7167780E-01 23 1.3954975E+00 6.5462051E-05 -5.0736996E-04 6.3661701E-02 1.9465359E-01 -7.9474143E-02 24 7.1847945E-01 -3.2781920E-05 1.5856897E-04 -2.0823962E-03 7.6044468E-01 -3.1839184E-01 25 3.4829665E-01 1.3208346E-05 -9.8643228E-05 1.6522093E-03 3.8842733E-01 -3.0989715E-01 26 1.0475655E-01 -4.7948726E-06 3.0437047E-05 -2.9987685E-04 2.2352209E-02 2.7564736E-01 27 5.0577364E-02 3.1139034E-06 -1.9354236E-05 1.6860355E-04 -3.8695619E-03 6.5996120E-01 28 2.3214054E-02 -9.0179149E-07 6.5343753E-06 -6.4426832E-05 2.5524967E-03 2.7264180E-01 2p 3p 4p 5p 1 6.2749634E+05 1.1477148E-06 -4.9143865E-07 1.6998550E-07 -4.1950512E-08 2 9.1915913E+04 1.7317096E-05 -7.4105154E-06 2.5661905E-06 -6.3662380E-07 3 2.0411097E+04 1.6375903E-04 -7.0247255E-05 2.4306225E-05 -6.0000781E-06 4 5.8756180E+03 1.0933296E-03 -4.6941467E-04 1.6261823E-04 -4.0324817E-05 5 2.0333044E+03 5.5157603E-03 -2.3828576E-03 8.2546539E-04 -2.0385578E-04 6 7.9947804E+02 2.2127016E-02 -9.6561800E-03 3.3536782E-03 -8.3178484E-04 7 3.4393220E+02 7.1419048E-02 -3.1962668E-02 1.1134085E-02 -2.7509087E-03 8 1.5798947E+02 1.7915274E-01 -8.3390637E-02 2.9264953E-02 -7.2705840E-03 9 7.5932289E+01 3.2275399E-01 -1.5930897E-01 5.6402912E-02 -1.3937596E-02 10 3.7722887E+01 3.5831831E-01 -1.7911814E-01 6.3721275E-02 -1.5946854E-02 11 1.9021928E+01 1.8408522E-01 1.9250866E-02 -1.7370885E-02 4.9490839E-03 12 9.7519559E+00 2.9501768E-02 3.6050032E-01 -1.6359396E-01 4.0936459E-02 13 5.0248730E+00 2.5280854E-03 4.8146491E-01 -2.5431359E-01 6.7681425E-02 14 2.6099301E+00 -9.5144558E-04 2.2882526E-01 -7.8463179E-02 1.4571703E-02 15 1.3027378E+00 -6.4009416E-05 2.9492916E-02 3.5585361E-01 -1.0367527E-01 16 6.3472007E-01 -5.9061731E-04 8.2650449E-04 5.2978359E-01 -1.8878146E-01 17 3.0063248E-01 -2.9160405E-04 2.3637937E-04 2.6968978E-01 -8.1589010E-02 18 1.0710516E-01 -4.2664009E-04 1.3291577E-07 3.0473260E-02 3.2845062E-01 19 4.5692137E-02 -9.0415266E-05 1.8454579E-05 -3.7650951E-03 5.7606320E-01 20 1.9199190E-02 -3.8093399E-04 2.5953295E-05 1.3076518E-03 2.4021276E-01 3d 4d 1 1.6433352E+03 1.6962244E-04 -3.7558013E-05 2 4.7016972E+02 1.7767275E-03 -3.9722535E-04 3 1.7800241E+02 1.0593342E-02 -2.3610407E-03 4 7.7328258E+01 4.2225057E-02 -9.5148912E-03 5 3.6216201E+01 1.2112397E-01 -2.7429660E-02 6 1.7802095E+01 2.4592743E-01 -5.6096741E-02 7 8.9007696E+00 3.4461868E-01 -7.4641368E-02 8 4.4638930E+00 3.1846341E-01 -6.1303719E-02 9 2.1964293E+00 1.5322086E-01 5.1144007E-02 10 9.9644797E-01 2.4682752E-02 2.4973037E-01 11 4.3195148E-01 1.1809511E-04 3.8831205E-01 12 1.7836956E-01 3.7443285E-04 3.7090972E-01 13 6.7990115E-02 -4.0312153E-05 2.1371677E-01 Foldy-Wouthuysen functions -------------------------- 1s 2s 3s 4s 5s 1 8.4191304E+07 2.4975255E-05 -8.3360422E-06 3.4760740E-06 -1.3094649E-06 3.5463216E-07 2 2.0196144E+07 6.4526356E-05 -2.1530537E-05 8.9689068E-06 -3.3747018E-06 9.1383050E-07 3 6.0192378E+06 1.4163634E-04 -4.7344555E-05 1.9758681E-05 -7.4458120E-06 2.0166844E-06 4 1.9738252E+06 2.9271759E-04 -9.7735882E-05 4.0731891E-05 -1.5319810E-05 4.1485631E-06 5 7.0080146E+05 5.9253240E-04 -1.9823926E-04 8.2831824E-05 -3.1217460E-05 8.4563054E-06 6 2.6486827E+05 1.2001650E-03 -4.0078514E-04 1.6722037E-04 -6.2875952E-05 1.7027910E-05 7 1.0578567E+05 2.4825579E-03 -8.3093112E-04 3.4756648E-04 -1.3099187E-04 3.5485510E-05 8 4.4330494E+04 5.2916336E-03 -1.7722174E-03 7.4028860E-04 -2.7836008E-04 7.5391600E-05 9 1.9379750E+04 1.1558304E-02 -3.9014576E-03 1.6332526E-03 -6.1567560E-04 1.6682364E-04 10 8.7946721E+03 2.5307478E-02 -8.6432547E-03 3.6191629E-03 -1.3618050E-03 3.6883026E-04 11 4.1267361E+03 5.3888779E-02 -1.8889068E-02 7.9408442E-03 -2.9954326E-03 8.1165072E-04 12 1.9949760E+03 1.0762727E-01 -3.9465246E-02 1.6679892E-02 -6.2847350E-03 1.7023046E-03 13 9.9011784E+02 1.9159771E-01 -7.6661161E-02 3.2816701E-02 -1.2427743E-02 3.3696109E-03 14 5.0287780E+02 2.7949528E-01 -1.3055258E-01 5.7145197E-02 -2.1649556E-02 5.8679202E-03 15 2.6040596E+02 2.8758268E-01 -1.7401555E-01 7.9333296E-02 -3.0430453E-02 8.2672237E-03 16 1.3637011E+02 1.6334821E-01 -1.1394461E-01 5.4694702E-02 -2.0917633E-02 5.6716425E-03 17 6.9780335E+01 3.2005793E-02 1.6578704E-01 -9.6670313E-02 3.8058532E-02 -1.0358449E-02 18 3.7404116E+01 -2.3016939E-04 4.9603819E-01 -3.7421463E-01 1.5827363E-01 -4.3616457E-02 19 2.0103068E+01 7.8445679E-04 4.1206359E-01 -4.2806633E-01 1.8713627E-01 -5.1663523E-02 20 1.0588033E+01 -4.4233345E-04 1.0492619E-01 7.4536859E-02 -3.5820497E-02 9.5837453E-03 21 5.5574419E+00 1.7689108E-04 4.6556647E-03 6.7700520E-01 -4.3943594E-01 1.3026529E-01 22 2.9254403E+00 -1.2621455E-04 1.6120294E-03 4.8696433E-01 -5.4282141E-01 1.7167842E-01 23 1.3954975E+00 6.4035636E-05 -5.0495430E-04 6.3610870E-02 1.9476748E-01 -7.9519834E-02 24 7.1847945E-01 -3.2921528E-05 1.5500041E-04 -2.0871174E-03 7.6043736E-01 -3.1840475E-01 25 3.4829665E-01 1.2907434E-05 -9.7181590E-05 1.6530474E-03 3.8840136E-01 -3.0989440E-01 26 1.0475655E-01 -4.7957015E-06 2.8836106E-05 -3.0028079E-04 2.2348485E-02 2.7565447E-01 27 5.0577364E-02 3.0549443E-06 -1.7860922E-05 1.6880223E-04 -3.8688638E-03 6.5995907E-01 28 2.3214054E-02 -9.1197337E-07 5.8313701E-06 -6.4584875E-05 2.5521719E-03 2.7264097E-01 2p 3p 4p 5p 1 6.2749634E+05 2.2620389E-05 -9.6183657E-06 3.3231938E-06 -8.1971029E-07 2 9.1915913E+04 8.8413033E-05 -3.7679865E-05 1.3048332E-05 -3.2400193E-06 3 2.0411097E+04 3.5681305E-04 -1.5249729E-04 5.2720858E-05 -1.2999737E-05 4 5.8756180E+03 1.5401180E-03 -6.6071718E-04 2.2893678E-04 -5.6809752E-05 5 2.0333044E+03 6.4445038E-03 -2.7844616E-03 9.6453277E-04 -2.3811275E-04 6 7.9947804E+02 2.3832148E-02 -1.0411027E-02 3.6166560E-03 -8.9718078E-04 7 3.4393220E+02 7.4032665E-02 -3.3174770E-02 1.1558488E-02 -2.8555943E-03 8 1.5798947E+02 1.8221756E-01 -8.4926316E-02 2.9810216E-02 -7.4065283E-03 9 7.5932289E+01 3.2514036E-01 -1.6066445E-01 5.6892997E-02 -1.4058556E-02 10 3.7722887E+01 3.5927826E-01 -1.7967463E-01 6.3921160E-02 -1.5997530E-02 11 1.9021928E+01 1.8448426E-01 1.9481257E-02 -1.7502373E-02 4.9844038E-03 12 9.7519559E+00 3.0084754E-02 3.6074813E-01 -1.6375592E-01 4.0977661E-02 13 5.0248730E+00 3.0988910E-03 4.8142223E-01 -2.5437446E-01 6.7700765E-02 14 2.6099301E+00 -4.5483767E-04 2.2868792E-01 -7.8380522E-02 1.4546874E-02 15 1.3027378E+00 3.9503172E-04 2.9443994E-02 3.5594097E-01 -1.0370121E-01 16 6.3472007E-01 -2.2565336E-04 7.9295415E-04 5.2981714E-01 -1.8879654E-01 17 3.0063248E-01 8.9949963E-05 2.0795605E-04 2.6971212E-01 -8.1592976E-02 18 1.0710516E-01 -3.7434725E-05 -3.2010229E-05 3.0506699E-02 3.2844846E-01 19 4.5692137E-02 1.9468595E-05 1.0704271E-05 -3.7558257E-03 5.7606191E-01 20 1.9199190E-02 -6.1160587E-06 -4.2990509E-06 1.3410917E-03 2.4020666E-01 3d 4d 1 1.6433352E+03 2.0272374E-04 -4.4875238E-05 2 4.7016972E+02 1.8852248E-03 -4.2154246E-04 3 1.7800241E+02 1.0873059E-02 -2.4235670E-03 4 7.7328258E+01 4.2724844E-02 -9.6285926E-03 5 3.6216201E+01 1.2178796E-01 -2.7582931E-02 6 1.7802095E+01 2.4652342E-01 -5.6235971E-02 7 8.9007696E+00 3.4498559E-01 -7.4722834E-02 8 4.4638930E+00 3.1859861E-01 -6.1328354E-02 9 2.1964293E+00 1.5327122E-01 5.1168826E-02 10 9.9644797E-01 2.4722251E-02 2.4975981E-01 11 4.3195148E-01 1.4460184E-04 3.8832697E-01 12 1.7836956E-01 3.8785297E-04 3.7091497E-01 13 6.7990115E-02 -3.0544535E-05 2.1371871E-01 ** Nb 93 ** Large component functions ------------------------- 1s 2s 3s 4s 5s 1 8.3076752E+07 9.3665975E-06 -3.1038622E-06 1.3025824E-06 -5.0068239E-07 1.2601979E-07 2 2.0010418E+07 2.6122814E-05 -8.6689019E-06 3.6386965E-06 -1.3984262E-06 3.5191417E-07 3 5.9881470E+06 6.4629249E-05 -2.1488158E-05 9.0219440E-06 -3.4683986E-06 8.7306940E-07 4 1.9697165E+06 1.5222552E-04 -5.0739946E-05 2.1310180E-05 -8.1899546E-06 2.0608111E-06 5 7.0078018E+05 3.5763573E-04 -1.1959988E-04 5.0254444E-05 -1.9325202E-05 4.8653622E-06 6 2.6515103E+05 8.4206314E-04 -2.8256316E-04 1.1877849E-04 -4.5648267E-05 1.1484462E-05 7 1.0593624E+05 1.9920452E-03 -6.7134756E-04 2.8238940E-04 -1.0863560E-04 2.7357244E-05 8 4.4377186E+04 4.7060672E-03 -1.5933570E-03 6.7058222E-04 -2.5770524E-04 6.4820168E-05 9 1.9387253E+04 1.0987571E-02 -3.7492490E-03 1.5797454E-03 -6.0808367E-04 1.5318225E-04 10 8.7925688E+03 2.5005744E-02 -8.6377561E-03 3.6452403E-03 -1.4011148E-03 3.5232939E-04 11 4.1237081E+03 5.4381637E-02 -1.9258746E-02 8.1566389E-03 -3.1437288E-03 7.9234126E-04 12 1.9932161E+03 1.0970490E-01 -4.0663764E-02 1.7329689E-02 -6.6696373E-03 1.6767946E-03 13 9.8975031E+02 1.9526302E-01 -7.9128044E-02 3.4158952E-02 -1.3219038E-02 3.3355518E-03 14 5.0336183E+02 2.8131085E-01 -1.3365951E-01 5.9061052E-02 -2.2854895E-02 5.7449324E-03 15 2.6123246E+02 2.8110582E-01 -1.7350323E-01 7.9958694E-02 -3.1382908E-02 7.9510024E-03 16 1.3726888E+02 1.5182078E-01 -1.0133535E-01 4.9005590E-02 -1.9074902E-02 4.7488582E-03 17 7.0478662E+01 2.7611888E-02 1.9265603E-01 -1.1503317E-01 4.6434060E-02 -1.1636385E-02 18 3.7837251E+01 -9.7036364E-05 5.0568541E-01 -3.9499910E-01 1.7209936E-01 -4.4387031E-02 19 2.0360426E+01 6.2408256E-04 3.9017104E-01 -4.1208145E-01 1.8439610E-01 -4.6875178E-02 20 1.0685521E+01 -3.4507273E-04 9.0554488E-02 1.2471017E-01 -6.0378389E-02 1.4326992E-02 21 5.6926558E+00 1.3491811E-04 3.0675754E-03 6.9299702E-01 -4.8572140E-01 1.3700274E-01 22 3.0281666E+00 -9.4184942E-05 1.5821095E-03 4.4980843E-01 -5.2480803E-01 1.5209844E-01 23 1.4557507E+00 4.7508220E-05 -5.2627890E-04 5.3587851E-02 2.8303838E-01 -1.0114501E-01 24 7.4115396E-01 -2.1479281E-05 1.4411775E-04 -1.2057382E-03 7.7146322E-01 -3.1538620E-01 25 3.5429360E-01 8.4499904E-06 -8.4913665E-05 1.2910511E-03 3.2818432E-01 -2.4791921E-01 26 9.8104113E-02 -3.0050618E-06 2.5204750E-05 -2.1312813E-04 1.3348220E-02 3.2117278E-01 27 4.7928156E-02 2.0797180E-06 -1.7340641E-05 1.4322803E-04 -3.4927604E-03 6.2375408E-01 28 2.2120175E-02 -6.1507749E-07 5.2866824E-06 -4.6721776E-05 1.1454710E-03 2.4480740E-01 2p 3p 4p 5p 1 7.0900120E+05 2.1514797E-05 -9.2820151E-06 3.2962161E-06 -8.3098146E-07 2 1.0360723E+05 8.1680307E-05 -3.5266219E-05 1.2527425E-05 -3.1608818E-06 3 2.2853176E+04 3.2638207E-04 -1.4127671E-04 5.0184989E-05 -1.2638614E-05 4 6.5214998E+03 1.4162796E-03 -6.1460486E-04 2.1855071E-04 -5.5210954E-05 5 2.2392140E+03 5.9857723E-03 -2.6141137E-03 9.2978422E-04 -2.3402768E-04 6 8.7512115E+02 2.2428646E-02 -9.8953964E-03 3.5284483E-03 -8.9199936E-04 7 3.7475174E+02 7.0690618E-02 -3.1961944E-02 1.1431578E-02 -2.8781639E-03 8 1.7155723E+02 1.7674519E-01 -8.3082236E-02 2.9937914E-02 -7.5828279E-03 9 8.2256703E+01 3.2079277E-01 -1.5979941E-01 5.8103702E-02 -1.4631250E-02 10 4.0797559E+01 3.6202875E-01 -1.8343348E-01 6.7075659E-02 -1.7124707E-02 11 2.0560501E+01 1.9114823E-01 1.1077828E-02 -1.4773575E-02 4.4649778E-03 12 1.0539982E+01 3.2334977E-02 3.5791440E-01 -1.6818390E-01 4.2949248E-02 13 5.4400397E+00 3.2096179E-03 4.8599701E-01 -2.6601481E-01 7.2595336E-02 14 2.8356638E+00 -4.8241566E-04 2.3024933E-01 -7.7433963E-02 1.3631846E-02 15 1.4255850E+00 4.0096933E-04 2.9663712E-02 3.6956542E-01 -1.1125225E-01 16 6.9738182E-01 -2.3488091E-04 9.3210694E-04 5.2710491E-01 -1.9515635E-01 17 3.3033651E-01 8.8605441E-05 2.4442452E-04 2.6303812E-01 -6.4573056E-02 18 1.1664749E-01 -3.7119098E-05 -1.1369342E-05 2.9218814E-02 3.4574698E-01 19 4.9014704E-02 1.8861688E-05 7.2504695E-06 -3.7763919E-03 5.6756832E-01 20 2.0358735E-02 -5.9636562E-06 -2.8951664E-06 1.3496681E-03 2.2943279E-01 3d 4d 1 1.5768777E+03 2.4785157E-04 -5.9998696E-05 2 4.5147393E+02 2.3233090E-03 -5.6480948E-04 3 1.7095470E+02 1.3279969E-02 -3.2341258E-03 4 7.4133517E+01 5.1234798E-02 -1.2578547E-02 5 3.4644621E+01 1.4205322E-01 -3.5232275E-02 6 1.6955835E+01 2.7376855E-01 -6.7672822E-02 7 8.4205277E+00 3.5973593E-01 -8.4353904E-02 8 4.1997423E+00 2.9335567E-01 -5.0836973E-02 9 2.0526386E+00 1.1194569E-01 1.0324344E-01 10 9.3349011E-01 1.2641110E-02 3.1177105E-01 11 4.0204878E-01 4.0889147E-04 4.0486864E-01 12 1.6334300E-01 1.8437088E-04 3.2857205E-01 13 6.1263942E-02 4.8746997E-05 1.3047801E-01 Pseudo-large component functions -------------------------------- 1s 2s 3s 4s 5s 1 8.3076752E+07 3.6602973E-07 -1.2115659E-07 5.0838437E-08 -1.9546385E-08 4.9212450E-09 2 2.0010418E+07 2.7424338E-06 -9.0757446E-07 3.8079788E-07 -1.4630100E-07 3.6806447E-08 3 5.9881470E+06 1.1442825E-05 -3.7881698E-06 1.5895922E-06 -6.1121561E-07 1.5389953E-07 4 1.9697165E+06 4.2646585E-05 -1.4116528E-05 5.9231077E-06 -2.2753460E-06 5.7235416E-07 5 7.0078018E+05 1.4235214E-04 -4.7151480E-05 1.9787342E-05 -7.6094995E-06 1.9162667E-06 6 2.6515103E+05 4.4283258E-04 -1.4672479E-04 6.1571410E-05 -2.3649797E-05 5.9481801E-06 7 1.0593624E+05 1.2870014E-03 -4.2719948E-04 1.7933054E-04 -6.8978249E-05 1.7373380E-05 8 4.4377186E+04 3.5308926E-03 -1.1748696E-03 4.9330435E-04 -1.8946618E-04 4.7644724E-05 9 1.9387253E+04 9.1523335E-03 -3.0652630E-03 1.2883549E-03 -4.9576895E-04 1.2489879E-04 10 8.7925688E+03 2.2384314E-02 -7.5839424E-03 3.1922979E-03 -1.2263300E-03 3.0832345E-04 11 4.1237081E+03 5.1096047E-02 -1.7749354E-02 7.4983906E-03 -2.8889557E-03 7.2814049E-04 12 1.9932161E+03 1.0642917E-01 -3.8717255E-02 1.6460153E-02 -6.3319006E-03 1.5916926E-03 13 9.8975031E+02 1.9336842E-01 -7.6977620E-02 3.3156370E-02 -1.2826501E-02 3.2364527E-03 14 5.0336183E+02 2.8221790E-01 -1.3187966E-01 5.8159264E-02 -2.2497523E-02 5.6546692E-03 15 2.6123246E+02 2.8420233E-01 -1.7282944E-01 7.9529364E-02 -3.1206662E-02 7.9061250E-03 16 1.3726888E+02 1.5412874E-01 -1.0205278E-01 4.9378775E-02 -1.9224443E-02 4.7868729E-03 17 7.0478662E+01 2.8083749E-02 1.9159367E-01 -1.1403293E-01 4.6000113E-02 -1.1525513E-02 18 3.7837251E+01 -1.0567229E-04 5.0596710E-01 -3.9433525E-01 1.7175405E-01 -4.4296268E-02 19 2.0360426E+01 6.3479801E-04 3.9091660E-01 -4.1220825E-01 1.8443563E-01 -4.6885270E-02 20 1.0685521E+01 -3.5134775E-04 9.0777832E-02 1.2438269E-01 -6.0157041E-02 1.4267741E-02 21 5.6926558E+00 1.3818910E-04 3.0599727E-03 6.9306238E-01 -4.8557004E-01 1.3695229E-01 22 3.0281666E+00 -9.6068017E-05 1.5939970E-03 4.4998088E-01 -5.2484774E-01 1.5210966E-01 23 1.4557507E+00 4.8539685E-05 -5.3411134E-04 5.3611629E-02 2.8299056E-01 -1.0112159E-01 24 7.4115396E-01 -2.2015321E-05 1.4937236E-04 -1.2072991E-03 7.7149425E-01 -3.1538320E-01 25 3.5429360E-01 8.6628178E-06 -8.7593026E-05 1.2918118E-03 3.2820064E-01 -2.4792096E-01 26 9.8104113E-02 -3.1027714E-06 2.7044944E-05 -2.1345933E-04 1.3350272E-02 3.2116932E-01 27 4.7928156E-02 2.1609983E-06 -1.9206353E-05 1.4353444E-04 -3.4943464E-03 6.2375693E-01 28 2.2120175E-02 -6.4635132E-07 6.1601029E-06 -4.6853855E-05 1.1461587E-03 2.4480756E-01 2p 3p 4p 5p 1 7.0900120E+05 1.0655432E-06 -4.6067795E-07 1.6355859E-07 -4.1124911E-08 2 1.0360723E+05 1.5897409E-05 -6.8702651E-06 2.4420207E-06 -6.1759540E-07 3 2.2853176E+04 1.5085576E-04 -6.5345069E-05 2.3208092E-05 -5.8368977E-06 4 6.5214998E+03 1.0179608E-03 -4.4136200E-04 1.5694470E-04 -3.9672084E-05 5 2.2392140E+03 5.1935673E-03 -2.2652197E-03 8.0547475E-04 -2.0267763E-04 6 8.7512115E+02 2.1056012E-02 -9.2755459E-03 3.3067081E-03 -8.3602496E-04 7 3.7475174E+02 6.8698398E-02 -3.1016127E-02 1.1090577E-02 -2.7920606E-03 8 1.7155723E+02 1.7450999E-01 -8.1932294E-02 2.9518259E-02 -7.4766209E-03 9 8.2256703E+01 3.1907227E-01 -1.5880372E-01 5.7733663E-02 -1.4537551E-02 10 4.0797559E+01 3.6122700E-01 -1.8299848E-01 6.6920040E-02 -1.7085336E-02 11 2.0560501E+01 1.9059846E-01 1.1024686E-02 -1.4710852E-02 4.4474704E-03 12 1.0539982E+01 3.1664808E-02 3.5785462E-01 -1.6809571E-01 4.2924951E-02 13 5.4400397E+00 2.5972376E-03 4.8609891E-01 -2.6599599E-01 7.2588227E-02 14 2.8356638E+00 -1.0064052E-03 2.3036640E-01 -7.7503979E-02 1.3652973E-02 15 1.4255850E+00 -8.5167202E-05 2.9706936E-02 3.6950428E-01 -1.1123207E-01 16 6.9738182E-01 -6.2185195E-04 9.6565953E-04 5.2707583E-01 -1.9514447E-01 17 3.3033651E-01 -3.2177872E-04 2.7472235E-04 2.6300920E-01 -6.4567231E-02 18 1.1664749E-01 -4.5336991E-04 2.2363437E-05 2.9180478E-02 3.4575200E-01 19 4.9014704E-02 -1.0670271E-04 1.6125265E-05 -3.7877788E-03 5.6757062E-01 20 2.0358735E-02 -4.0059097E-04 2.8473487E-05 1.3127744E-03 2.2943939E-01 3d 4d 1 1.5768777E+03 2.1341856E-04 -5.1647842E-05 2 4.5147393E+02 2.2172607E-03 -5.3896984E-04 3 1.7095470E+02 1.3026571E-02 -3.1719454E-03 4 7.4133517E+01 5.0818167E-02 -1.2474833E-02 5 3.4644621E+01 1.4154294E-01 -3.5102352E-02 6 1.6955835E+01 2.7334993E-01 -6.7566518E-02 7 8.4205277E+00 3.5948753E-01 -8.4293598E-02 8 4.1997423E+00 2.9326269E-01 -5.0827366E-02 9 2.0526386E+00 1.1188685E-01 1.0322373E-01 10 9.3349011E-01 1.2599110E-02 3.1175225E-01 11 4.0204878E-01 3.8191601E-04 4.0485983E-01 12 1.6334300E-01 1.7153673E-04 3.2856850E-01 13 6.1263942E-02 3.9246187E-05 1.3047605E-01 Foldy-Wouthuysen functions -------------------------- 1s 2s 3s 4s 5s 1 8.3076752E+07 2.7573775E-05 -9.2426523E-06 3.8829234E-06 -1.4943119E-06 3.7635366E-07 2 2.0010418E+07 7.0933758E-05 -2.3773339E-05 9.9748625E-06 -3.8315479E-06 9.6291889E-07 3 5.9881470E+06 1.5507200E-04 -5.2059387E-05 2.1890299E-05 -8.4293411E-06 2.1246901E-06 4 1.9697165E+06 3.1939373E-04 -1.0713415E-04 4.4968786E-05 -1.7263541E-05 4.3364732E-06 5 7.0078018E+05 6.4462831E-04 -2.1665308E-04 9.1211910E-05 -3.5131196E-05 8.8594119E-06 6 2.6515103E+05 1.3016953E-03 -4.3685916E-04 1.8358123E-04 -7.0454438E-05 1.7695221E-05 7 1.0593624E+05 2.6837974E-03 -9.0281235E-04 3.8051110E-04 -1.4655951E-04 3.6963362E-05 8 4.4377186E+04 5.7014982E-03 -1.9198868E-03 8.0784244E-04 -3.1007070E-04 7.7893901E-05 9 1.9387253E+04 1.2404698E-02 -4.2108160E-03 1.7763039E-03 -6.8422472E-04 1.7255877E-04 10 8.7925688E+03 2.7044560E-02 -9.2947649E-03 3.9214339E-03 -1.5064707E-03 3.7856716E-04 11 4.1237081E+03 5.7279905E-02 -2.0226854E-02 8.5707725E-03 -3.3037178E-03 8.3305423E-04 12 1.9932161E+03 1.1345328E-01 -4.2002521E-02 1.7897637E-02 -6.8857345E-03 1.7305095E-03 13 9.8975031E+02 1.9918837E-01 -8.0796380E-02 3.4896883E-02 -1.3508264E-02 3.4094520E-03 14 5.0336183E+02 2.8393349E-01 -1.3529871E-01 5.9825393E-02 -2.3150120E-02 5.8182805E-03 15 2.6123246E+02 2.8129893E-01 -1.7449454E-01 8.0486137E-02 -3.1598157E-02 8.0069563E-03 16 1.3726888E+02 1.5074236E-01 -1.0097805E-01 4.8928181E-02 -1.9046085E-02 4.7403015E-03 17 7.0478662E+01 2.7081450E-02 1.9389615E-01 -1.1568631E-01 4.6691446E-02 -1.1699989E-02 18 3.7837251E+01 -2.2213181E-04 5.0647276E-01 -3.9577119E-01 1.7245307E-01 -4.4479844E-02 19 2.0360426E+01 6.0398352E-04 3.8997016E-01 -4.1211604E-01 1.8442673E-01 -4.6881855E-02 20 1.0685521E+01 -3.5902824E-04 9.0392344E-02 1.2507262E-01 -6.0529536E-02 1.4363376E-02 21 5.6926558E+00 1.3360258E-04 3.0269005E-03 6.9319551E-01 -4.8589503E-01 1.3705453E-01 22 3.0281666E+00 -9.7541922E-05 1.5827664E-03 4.4974453E-01 -5.2480403E-01 1.5209828E-01 23 1.4557507E+00 4.7198372E-05 -5.3079929E-04 5.3564744E-02 2.8311088E-01 -1.0116728E-01 24 7.4115396E-01 -2.2234038E-05 1.4527462E-04 -1.2123579E-03 7.7147732E-01 -3.1539457E-01 25 3.5429360E-01 8.3987730E-06 -8.5937377E-05 1.2925019E-03 3.2817457E-01 -2.4791655E-01 26 9.8104113E-02 -3.0899586E-06 2.5264345E-05 -2.1372213E-04 1.3347749E-02 3.2117558E-01 27 4.7928156E-02 2.0836019E-06 -1.7438316E-05 1.4359626E-04 -3.4941558E-03 6.2375475E-01 28 2.2120175E-02 -6.4260710E-07 5.3117396E-06 -4.6928607E-05 1.1459740E-03 2.4480684E-01 2p 3p 4p 5p 1 7.0900120E+05 2.2555087E-05 -9.6820096E-06 3.4333948E-06 -8.6278327E-07 2 1.0360723E+05 8.7437439E-05 -3.7625725E-05 1.3373972E-05 -3.3857603E-06 3 2.2853176E+04 3.4697504E-04 -1.4971291E-04 5.3124153E-05 -1.3343841E-05 4 6.5214998E+03 1.4751502E-03 -6.3902904E-04 2.2728143E-04 -5.7498570E-05 5 2.2392140E+03 6.1481079E-03 -2.6818377E-03 9.5355225E-04 -2.3983341E-04 6 8.7512115E+02 2.2820061E-02 -1.0063442E-02 3.5884638E-03 -9.0746793E-04 7 3.7475174E+02 7.1428177E-02 -3.2292108E-02 1.1549183E-02 -2.9073011E-03 8 1.7155723E+02 1.7775487E-01 -8.3570197E-02 3.0115370E-02 -7.6284523E-03 9 8.2256703E+01 3.2164376E-01 -1.6027310E-01 5.8279327E-02 -1.4674769E-02 10 4.0797559E+01 3.6228438E-01 -1.8362485E-01 6.7151974E-02 -1.7145382E-02 11 2.0560501E+01 1.9101657E-01 1.1263782E-02 -1.4852902E-02 4.4867255E-03 12 1.0539982E+01 3.2276710E-02 3.5813280E-01 -1.6828249E-01 4.2973500E-02 13 5.4400397E+00 3.2006445E-03 4.8605699E-01 -2.6606771E-01 7.2611625E-02 14 2.8356638E+00 -4.8248473E-04 2.3021694E-01 -7.7408208E-02 1.3623139E-02 15 1.4255850E+00 4.0000097E-04 2.9655303E-02 3.6960076E-01 -1.1126182E-01 16 6.9738182E-01 -2.3454812E-04 9.3026712E-04 5.2711163E-01 -1.9516101E-01 17 3.3033651E-01 8.8432055E-05 2.4464704E-04 2.6303485E-01 -6.4571087E-02 18 1.1664749E-01 -3.7069505E-05 -1.1521593E-05 2.9218093E-02 3.4574917E-01 19 4.9014704E-02 1.8832203E-05 7.3309993E-06 -3.7765999E-03 5.6756894E-01 20 2.0358735E-02 -5.9550052E-06 -2.9230731E-06 1.3497305E-03 2.2943253E-01 3d 4d 1 1.5768777E+03 2.5390079E-04 -6.1432410E-05 2 4.5147393E+02 2.3488273E-03 -5.7102735E-04 3 1.7095470E+02 1.3359801E-02 -3.2533883E-03 4 7.4133517E+01 5.1395727E-02 -1.2618238E-02 5 3.4644621E+01 1.4227947E-01 -3.5289046E-02 6 1.6955835E+01 2.7396756E-01 -6.7722922E-02 7 8.4205277E+00 3.5983840E-01 -8.4378658E-02 8 4.1997423E+00 2.9337241E-01 -5.0838947E-02 9 2.0526386E+00 1.1193714E-01 1.0326082E-01 10 9.3349011E-01 1.2639293E-02 3.1178371E-01 11 4.0204878E-01 4.0866906E-04 4.0487329E-01 12 1.6334300E-01 1.8441147E-04 3.2857276E-01 13 6.1263942E-02 4.8731920E-05 1.3047786E-01 ** Mo 98 ** Large component functions ------------------------- 1s 2s 3s 4s 5s 1 8.1859307E+07 1.0291832E-05 -3.4243513E-06 1.4471182E-06 -5.6692563E-07 1.4303890E-07 2 1.9969964E+07 2.8360956E-05 -9.4503687E-06 3.9944480E-06 -1.5646474E-06 3.9467426E-07 3 6.0552677E+06 6.9294419E-05 -2.3134894E-05 9.7813176E-06 -3.8325992E-06 9.6711561E-07 4 2.0146275E+06 1.6109765E-04 -5.3923501E-05 2.2806003E-05 -8.9332941E-06 2.2530881E-06 5 7.2384174E+05 3.7367889E-04 -1.2550231E-04 5.3104993E-05 -2.0813983E-05 5.2533082E-06 6 2.7606314E+05 8.6897330E-04 -2.9288290E-04 1.2398393E-04 -4.8565097E-05 1.2246024E-05 7 1.1099417E+05 2.0323153E-03 -6.8805177E-04 2.9146127E-04 -1.1428253E-04 2.8853577E-05 8 4.6730267E+04 4.7517149E-03 -1.6163965E-03 6.8510442E-04 -2.6835247E-04 6.7645743E-05 9 2.0500765E+04 1.0993844E-02 -3.7694331E-03 1.5995449E-03 -6.2755937E-04 1.5851265E-04 10 9.3312422E+03 2.4829509E-02 -8.6176977E-03 3.6626720E-03 -1.4349215E-03 3.6157984E-04 11 4.3900124E+03 5.3696832E-02 -1.9100945E-02 8.1472552E-03 -3.2006274E-03 8.0895483E-04 12 2.1270620E+03 1.0804691E-01 -4.0194349E-02 1.7250245E-02 -6.7670561E-03 1.7045774E-03 13 1.0578071E+03 1.9256113E-01 -7.8183588E-02 3.3983764E-02 -1.3404886E-02 3.3927094E-03 14 5.3829968E+02 2.7913638E-01 -1.3247027E-01 5.8922136E-02 -2.3242673E-02 5.8520694E-03 15 2.7932575E+02 2.8249910E-01 -1.7346957E-01 8.0438091E-02 -3.2180433E-02 8.1835944E-03 16 1.4667408E+02 1.5582188E-01 -1.0486387E-01 5.1026277E-02 -2.0266306E-02 5.0398126E-03 17 7.5248296E+01 2.9244409E-02 1.8595515E-01 -1.1196503E-01 4.6119691E-02 -1.1538428E-02 18 4.0402130E+01 -1.3355140E-04 5.0348812E-01 -3.9487187E-01 1.7562434E-01 -4.5542044E-02 19 2.1746456E+01 6.8940394E-04 3.9554443E-01 -4.1985514E-01 1.9218748E-01 -4.8847760E-02 20 1.1433787E+01 -3.8599232E-04 9.3864260E-02 1.1595593E-01 -5.6862647E-02 1.3013618E-02 21 6.1164585E+00 1.6201142E-04 3.1834469E-03 6.9609499E-01 -5.0380693E-01 1.4384860E-01 22 3.2704127E+00 -1.1011100E-04 1.6229323E-03 4.5367371E-01 -5.3834410E-01 1.5570902E-01 23 1.5930380E+00 5.5473829E-05 -5.5603799E-04 5.5333982E-02 2.9938539E-01 -1.0647478E-01 24 8.0957104E-01 -2.4714048E-05 1.4470417E-04 -7.4115095E-04 7.7755058E-01 -3.2594570E-01 25 3.8649346E-01 9.4779070E-06 -8.5287646E-05 1.2292593E-03 3.2084525E-01 -2.3417641E-01 26 1.0670795E-01 -3.2655857E-06 2.4354751E-05 -1.8055605E-04 1.2736084E-02 3.3542940E-01 27 5.1047013E-02 2.2175651E-06 -1.6229429E-05 1.1540388E-04 -2.8412487E-03 6.1802437E-01 28 2.3269661E-02 -6.6118336E-07 5.1010443E-06 -4.1001136E-05 1.1691410E-03 2.3524727E-01 2p 3p 4p 5p 1 8.1385136E+05 2.1211864E-05 -9.2350470E-06 3.3603585E-06 -8.3055151E-07 2 1.1870907E+05 7.9512377E-05 -3.4645476E-05 1.2610375E-05 -3.1194255E-06 3 2.6008975E+04 3.1057622E-04 -1.3564693E-04 4.9371700E-05 -1.2190055E-05 4 7.3523102E+03 1.3241829E-03 -5.7996600E-04 2.1133022E-04 -5.2343650E-05 5 2.5021830E+03 5.5748147E-03 -2.4562581E-03 8.9514444E-04 -2.2087798E-04 6 9.7114314E+02 2.0992178E-02 -9.3432219E-03 3.4139096E-03 -8.4622704E-04 7 4.1373202E+02 6.6818544E-02 -3.0443196E-02 1.1155708E-02 -2.7534769E-03 8 1.8869861E+02 1.6957693E-01 -8.0302458E-02 2.9652558E-02 -7.3646822E-03 9 9.0259179E+01 3.1414779E-01 -1.5746944E-01 5.8666681E-02 -1.4484058E-02 10 4.4697728E+01 3.6572086E-01 -1.8812200E-01 7.0641692E-02 -1.7686891E-02 11 2.2523861E+01 2.0230734E-01 -3.9515727E-03 -8.9328608E-03 2.9491688E-03 12 1.1527733E+01 3.6688638E-02 3.4912272E-01 -1.6933469E-01 4.2465120E-02 13 5.9449809E+00 3.3161425E-03 4.9385118E-01 -2.7823582E-01 7.4632990E-02 14 3.0995115E+00 -4.2531296E-04 2.3744784E-01 -8.2790081E-02 1.4292613E-02 15 1.5655385E+00 3.6584615E-04 3.0817631E-02 3.7922564E-01 -1.1307482E-01 16 7.6646767E-01 -2.2385500E-04 1.1659847E-03 5.2977693E-01 -1.9280878E-01 17 3.6210563E-01 7.9626913E-05 2.2931523E-04 2.5686508E-01 -5.4826676E-02 18 1.2631793E-01 -3.3764650E-05 1.1468269E-05 2.7287174E-02 3.4575331E-01 19 5.2324136E-02 1.6912418E-05 -2.4352608E-06 -3.6232307E-03 5.6373899E-01 20 2.1474498E-02 -5.3756008E-06 2.4098706E-07 1.2503158E-03 2.3233165E-01 3d 4d 1 1.7056619E+03 2.4284774E-04 -6.3457033E-05 2 4.8693565E+02 2.2761016E-03 -5.9602746E-04 3 1.8411916E+02 1.3065082E-02 -3.4343979E-03 4 7.9811950E+01 5.0736114E-02 -1.3425573E-02 5 3.7310297E+01 1.4154819E-01 -3.7932935E-02 6 1.8276931E+01 2.7449202E-01 -7.3167629E-02 7 9.0928814E+00 3.6187245E-01 -9.1797981E-02 8 4.5497692E+00 2.9237064E-01 -5.1905243E-02 9 2.2343989E+00 1.0826720E-01 1.1681197E-01 10 1.0351935E+00 1.1819423E-02 3.2681174E-01 11 4.5421317E-01 6.2428440E-04 4.0334840E-01 12 1.8764740E-01 1.7271911E-04 3.0902571E-01 13 7.1293252E-02 7.6272688E-05 1.1445417E-01 Pseudo-large component functions -------------------------------- 1s 2s 3s 4s 5s 1 8.1859307E+07 3.9366290E-07 -1.3082917E-07 5.5280225E-08 -2.1662522E-08 5.4678189E-09 2 1.9969964E+07 2.9190934E-06 -9.6993465E-07 4.0980307E-07 -1.6046902E-07 4.0462488E-08 3 6.0552677E+06 1.1976179E-05 -3.9807730E-06 1.6820712E-06 -6.5920476E-07 1.6640793E-07 4 2.0146275E+06 4.4051105E-05 -1.4640413E-05 6.1858057E-06 -2.4218949E-06 6.1056907E-07 5 7.2384174E+05 1.4527954E-04 -4.8316618E-05 2.0417879E-05 -8.0029131E-06 2.0205942E-06 6 2.7606314E+05 4.4777515E-04 -1.4896557E-04 6.2948374E-05 -2.4643021E-05 6.2114284E-06 7 1.1099417E+05 1.2915246E-03 -4.3045276E-04 1.8195890E-04 -7.1334725E-05 1.8014713E-05 8 4.6730267E+04 3.5212056E-03 -1.1764239E-03 4.9741071E-04 -1.9471275E-04 4.9067310E-05 9 2.0500765E+04 9.0771360E-03 -3.0523984E-03 1.2919197E-03 -5.0670093E-04 1.2800194E-04 10 9.3312422E+03 2.2095857E-02 -7.5154355E-03 3.1855719E-03 -1.2472603E-03 3.1422074E-04 11 4.3900124E+03 5.0267277E-02 -1.7523364E-02 7.4544743E-03 -2.9273014E-03 7.3990375E-04 12 2.1270620E+03 1.0460682E-01 -3.8156792E-02 1.6333859E-02 -6.4042178E-03 1.6129351E-03 13 1.0578071E+03 1.9052367E-01 -7.5921923E-02 3.2922619E-02 -1.2981339E-02 3.2854953E-03 14 5.3829968E+02 2.8000880E-01 -1.3057892E-01 5.7958979E-02 -2.2853514E-02 5.7535498E-03 15 2.7932575E+02 2.8572897E-01 -1.7272638E-01 7.9965846E-02 -3.1982882E-02 8.1331254E-03 16 1.4667408E+02 1.5830471E-01 -1.0560039E-01 5.1408125E-02 -2.0422112E-02 5.0795737E-03 17 7.5248296E+01 2.9770647E-02 1.8481844E-01 -1.1089976E-01 4.5648068E-02 -1.1417625E-02 18 4.0402130E+01 -1.4312386E-04 5.0376239E-01 -3.9414895E-01 1.7524088E-01 -4.5440796E-02 19 2.1746456E+01 7.0176714E-04 3.9633834E-01 -4.1998061E-01 1.9222385E-01 -4.8857056E-02 20 1.1433787E+01 -3.9324952E-04 9.4109692E-02 1.1559556E-01 -5.6614808E-02 1.2947040E-02 21 6.1164585E+00 1.6586253E-04 3.1752071E-03 6.9616249E-01 -5.0363442E-01 1.4379056E-01 22 3.2704127E+00 -1.1230528E-04 1.6361356E-03 4.5386226E-01 -5.3839205E-01 1.5572296E-01 23 1.5930380E+00 5.6637127E-05 -5.6467877E-04 5.5360427E-02 2.9933319E-01 -1.0644857E-01 24 8.0957104E-01 -2.5284112E-05 1.5034520E-04 -7.4257703E-04 7.7758560E-01 -3.2594239E-01 25 3.8649346E-01 9.6910036E-06 -8.8127083E-05 1.2300188E-03 3.2086312E-01 -2.3417869E-01 26 1.0670795E-01 -3.3503424E-06 2.6236937E-05 -1.8087126E-04 1.2738051E-02 3.3542594E-01 27 5.1047013E-02 2.2817603E-06 -1.8120306E-05 1.1569430E-04 -2.8427187E-03 6.1802724E-01 28 2.3269661E-02 -6.8375261E-07 5.9999242E-06 -4.1128791E-05 1.1697850E-03 2.3524746E-01 2p 3p 4p 5p 1 8.1385136E+05 9.6542959E-07 -4.2114514E-07 1.5319730E-07 -3.7759779E-08 2 1.1870907E+05 1.4207268E-05 -6.1978974E-06 2.2575894E-06 -5.5986558E-07 3 2.6008975E+04 1.3514581E-04 -5.9071216E-05 2.1495762E-05 -5.2994352E-06 4 7.3523102E+03 9.2265823E-04 -4.0378820E-04 1.4713763E-04 -3.6469519E-05 5 2.5021830E+03 4.7695770E-03 -2.0986642E-03 7.6460158E-04 -1.8860100E-04 6 9.7114314E+02 1.9583508E-02 -8.7022999E-03 3.1789966E-03 -7.8808731E-04 7 4.1373202E+02 6.4747870E-02 -2.9454202E-02 1.0790391E-02 -2.6630370E-03 8 1.8869861E+02 1.6721186E-01 -7.9079813E-02 2.9195351E-02 -7.2512213E-03 9 9.0259179E+01 3.1228254E-01 -1.5638606E-01 5.8254005E-02 -1.4381583E-02 10 4.4697728E+01 3.6483516E-01 -1.8762374E-01 7.0457266E-02 -1.7641092E-02 11 2.2523861E+01 2.0173462E-01 -3.9992449E-03 -8.8681980E-03 2.9313062E-03 12 1.1527733E+01 3.5981063E-02 3.4904757E-01 -1.6923091E-01 4.2437041E-02 13 5.9449809E+00 2.6651776E-03 4.9395721E-01 -2.7821102E-01 7.4624095E-02 14 3.0995115E+00 -9.8150107E-04 2.3757599E-01 -8.2868950E-02 1.4316171E-02 15 1.5655385E+00 -1.4921113E-04 3.0863332E-02 3.7915822E-01 -1.1305273E-01 16 7.6646767E-01 -6.3641568E-04 1.2014437E-03 5.2974536E-01 -1.9279617E-01 17 3.6210563E-01 -3.6190984E-04 2.6138535E-04 2.5683226E-01 -5.4820363E-02 18 1.2631793E-01 -4.7938613E-04 4.7050623E-05 2.7244242E-02 3.4575893E-01 19 5.2324136E-02 -1.2405621E-04 7.4256575E-06 -3.6366303E-03 5.6374157E-01 20 2.1474498E-02 -4.2059999E-04 3.2768276E-05 1.2097540E-03 2.3233877E-01 3d 4d 1 1.7056619E+03 2.0694305E-04 -5.4067652E-05 2 4.8693565E+02 2.1646255E-03 -5.6674062E-04 3 1.8411916E+02 1.2797096E-02 -3.3634477E-03 4 7.9811950E+01 5.0291230E-02 -1.3306051E-02 5 3.7310297E+01 1.4099931E-01 -3.7781862E-02 6 1.8276931E+01 2.7403820E-01 -7.3043049E-02 7 9.0928814E+00 3.6160404E-01 -9.1727644E-02 8 4.5497692E+00 2.9227184E-01 -5.1896310E-02 9 2.2343989E+00 1.0820409E-01 1.1678753E-01 10 1.0351935E+00 1.1774324E-02 3.2679032E-01 11 4.5421317E-01 5.9440706E-04 4.0333861E-01 12 1.8764740E-01 1.5853801E-04 3.0902186E-01 13 7.1293252E-02 6.5356731E-05 1.1445180E-01 Foldy-Wouthuysen functions -------------------------- 1s 2s 3s 4s 5s 1 8.1859307E+07 3.0152344E-05 -1.0149839E-05 4.2940225E-06 -1.6842422E-06 4.2533032E-07 2 1.9969964E+07 7.6793093E-05 -2.5847423E-05 1.0921187E-05 -4.2757773E-06 1.0766559E-06 3 6.0552677E+06 1.6621169E-04 -5.6040657E-05 2.3730230E-05 -9.3134302E-06 2.3545381E-06 4 2.0146275E+06 3.3908162E-04 -1.1424168E-04 4.8286200E-05 -1.8893750E-05 4.7541404E-06 5 7.2384174E+05 6.7809211E-04 -2.2894981E-04 9.7066791E-05 -3.8105406E-05 9.6396340E-06 6 2.7606314E+05 1.3559382E-03 -4.5725703E-04 1.9349097E-04 -7.5686556E-05 1.9040014E-05 7 1.1099417E+05 2.7657498E-03 -9.3508187E-04 3.9691034E-04 -1.5581963E-04 3.9423929E-05 8 4.6730267E+04 5.8069354E-03 -1.9653749E-03 8.3281806E-04 -3.2580863E-04 8.1981728E-05 9 2.0500765E+04 1.2490017E-02 -4.2612475E-03 1.8104985E-03 -7.1083278E-04 1.7982749E-04 10 9.3312422E+03 2.6963679E-02 -9.3115894E-03 3.9564605E-03 -1.5491937E-03 3.8998826E-04 11 4.3900124E+03 5.6708619E-02 -2.0114002E-02 8.5839173E-03 -3.3725705E-03 8.5300147E-04 12 2.1270620E+03 1.1194007E-01 -4.1590651E-02 1.7846677E-02 -6.9982934E-03 1.7619163E-03 13 1.0578071E+03 1.9667070E-01 -7.9929262E-02 3.4761368E-02 -1.3715644E-02 3.4726734E-03 14 5.3829968E+02 2.8194208E-01 -1.3420103E-01 5.9733630E-02 -2.3562192E-02 5.9312074E-03 15 2.7932575E+02 2.8277480E-01 -1.7453997E-01 8.1008576E-02 -3.2417490E-02 8.2458652E-03 16 1.4667408E+02 1.5469926E-01 -1.0451922E-01 5.0959920E-02 -2.0241863E-02 5.0316911E-03 17 7.5248296E+01 2.8666985E-02 1.8725803E-01 -1.1265238E-01 4.6395999E-02 -1.1606249E-02 18 4.0402130E+01 -2.6979500E-04 5.0434243E-01 -3.9570354E-01 1.7601250E-01 -4.5644862E-02 19 2.1746456E+01 6.6770865E-04 3.9534064E-01 -4.1990559E-01 1.9222836E-01 -4.8856448E-02 20 1.1433787E+01 -4.0096268E-04 9.3688668E-02 1.1634399E-01 -5.7027087E-02 1.3052609E-02 21 6.1164585E+00 1.6056404E-04 3.1387824E-03 6.9631519E-01 -5.0400525E-01 1.4390876E-01 22 3.2704127E+00 -1.1373214E-04 1.6237498E-03 4.5360392E-01 -5.3833793E-01 1.5570779E-01 23 1.5930380E+00 5.5117585E-05 -5.6098005E-04 5.5308450E-02 2.9946773E-01 -1.0650002E-01 24 8.0957104E-01 -2.5511426E-05 1.4590729E-04 -7.4816372E-04 7.7756516E-01 -3.2595505E-01 25 3.8649346E-01 9.4168901E-06 -8.6365874E-05 1.2306330E-03 3.2083461E-01 -2.3417305E-01 26 1.0670795E-01 -3.3518261E-06 2.4420168E-05 -1.8116810E-04 1.2735569E-02 3.3543235E-01 27 5.1047013E-02 2.2178724E-06 -1.6334839E-05 1.1578489E-04 -2.8427241E-03 6.1802507E-01 28 2.3269661E-02 -6.8831346E-07 5.1267027E-06 -4.1225394E-05 1.1696791E-03 2.3524667E-01 2p 3p 4p 5p 1 8.1385136E+05 2.2151836E-05 -9.5931573E-06 3.4854342E-06 -8.5858688E-07 2 1.1870907E+05 8.5073773E-05 -3.6946452E-05 1.3456975E-05 -3.3405438E-06 3 2.6008975E+04 3.3130818E-04 -1.4421556E-04 5.2429546E-05 -1.2908612E-05 4 7.3523102E+03 1.3838635E-03 -6.0503477E-04 2.2051652E-04 -5.4704847E-05 5 2.5021830E+03 5.7377960E-03 -2.5248194E-03 9.1978842E-04 -2.2677225E-04 6 9.7114314E+02 2.1387544E-02 -9.5144883E-03 3.4765959E-03 -8.6208152E-04 7 4.1373202E+02 6.7574196E-02 -3.0783459E-02 1.1279838E-02 -2.7836051E-03 8 1.8869861E+02 1.7063562E-01 -8.0816947E-02 2.9844241E-02 -7.4130243E-03 9 9.0259179E+01 3.1507071E-01 -1.5798248E-01 5.8861417E-02 -1.4531364E-02 10 4.4697728E+01 3.6602749E-01 -1.8834984E-01 7.0734614E-02 -1.7711476E-02 11 2.2523861E+01 2.0217276E-01 -3.7645652E-03 -9.0147154E-03 2.9713216E-03 12 1.1527733E+01 3.6621551E-02 3.4936464E-01 -1.6944693E-01 4.2492237E-02 13 5.9449809E+00 3.3055136E-03 4.9392216E-01 -2.7829811E-01 7.4651772E-02 14 3.0995115E+00 -4.2539398E-04 2.3741213E-01 -8.2760636E-02 1.4282776E-02 15 1.5655385E+00 3.6475617E-04 3.0808090E-02 3.7926574E-01 -1.1308560E-01 16 7.6646767E-01 -2.2348896E-04 1.1639841E-03 5.2978389E-01 -1.9281364E-01 17 3.6210563E-01 7.9437661E-05 2.2953183E-04 2.5686141E-01 -5.4824401E-02 18 1.2631793E-01 -3.3711082E-05 1.1309181E-05 2.7286421E-02 3.4575559E-01 19 5.2324136E-02 1.6880939E-05 -2.3507672E-06 -3.6234557E-03 5.6373966E-01 20 2.1474498E-02 -5.3663456E-06 2.1104127E-07 1.2503841E-03 2.3233138E-01 3d 4d 1 1.7056619E+03 2.4917301E-04 -6.5087466E-05 2 4.8693565E+02 2.3027339E-03 -6.0298456E-04 3 1.8411916E+02 1.3148965E-02 -3.4562929E-03 4 7.9811950E+01 5.0907186E-02 -1.3470965E-02 5 3.7310297E+01 1.4179108E-01 -3.7998937E-02 6 1.8276931E+01 2.7470817E-01 -7.3226239E-02 7 9.0928814E+00 3.6198450E-01 -9.1827647E-02 8 4.5497692E+00 2.9238802E-01 -5.1906280E-02 9 2.2343989E+00 1.0825748E-01 1.1683301E-01 10 1.0351935E+00 1.1817450E-02 3.2682627E-01 11 4.5421317E-01 6.2405172E-04 4.0335339E-01 12 1.8764740E-01 1.7275717E-04 3.0902634E-01 13 7.1293252E-02 7.6257450E-05 1.1445398E-01 ** Tc 98 ** Large component functions ------------------------- 1s 2s 3s 4s 5s 1 8.3302893E+07 1.1002297E-05 -3.6754253E-06 1.5635158E-06 -6.2321556E-07 1.6419277E-07 2 2.0626224E+07 2.9857145E-05 -9.9891405E-06 4.2501906E-06 -1.6939240E-06 4.4625584E-07 3 6.3571419E+06 7.1758221E-05 -2.4053956E-05 1.0237345E-05 -4.0812544E-06 1.0752982E-06 4 2.1460866E+06 1.6396706E-04 -5.5107446E-05 2.3461606E-05 -9.3509059E-06 2.4633984E-06 5 7.8096235E+05 3.7392413E-04 -1.2609684E-04 5.3711042E-05 -2.1418418E-05 5.6435770E-06 6 3.0100666E+05 8.5479159E-04 -2.8931329E-04 1.2328983E-04 -4.9139849E-05 1.2944897E-05 7 1.2207954E+05 1.9674726E-03 -6.6892121E-04 2.8524751E-04 -1.1379301E-04 2.9986809E-05 8 5.1760564E+04 4.5351876E-03 -1.5494453E-03 6.6112820E-04 -2.6351246E-04 6.9413189E-05 9 2.2837348E+04 1.0373057E-02 -3.5711825E-03 1.5255095E-03 -6.0890957E-04 1.6048447E-04 10 1.0439933E+04 2.3250475E-02 -8.0989443E-03 3.4649879E-03 -1.3813907E-03 3.6386544E-04 11 4.9257751E+03 5.0149632E-02 -1.7876098E-02 7.6736545E-03 -3.0666679E-03 8.0846845E-04 12 2.3903707E+03 1.0125493E-01 -3.7641440E-02 1.6252818E-02 -6.4881932E-03 1.7092001E-03 13 1.1892957E+03 1.8265391E-01 -7.3673948E-02 3.2192434E-02 -1.2914270E-02 3.4070338E-03 14 6.0488368E+02 2.7168179E-01 -1.2689581E-01 5.6666289E-02 -2.2745609E-02 5.9956272E-03 15 3.1340417E+02 2.8841702E-01 -1.7234012E-01 8.0075352E-02 -3.2550419E-02 8.6086093E-03 16 1.6416738E+02 1.7213034E-01 -1.2026695E-01 5.8745184E-02 -2.3825585E-02 6.2779111E-03 17 8.4318370E+01 3.6682957E-02 1.4914028E-01 -8.9577520E-02 3.7471478E-02 -9.9097189E-03 18 4.5292673E+01 4.2833390E-05 4.8645989E-01 -3.7273786E-01 1.6791048E-01 -4.5155062E-02 19 2.4410320E+01 8.9578339E-04 4.2421999E-01 -4.4647874E-01 2.0854553E-01 -5.6105749E-02 20 1.2954950E+01 -4.9287911E-04 1.1541389E-01 4.7282006E-02 -2.2463455E-02 5.3867923E-03 21 6.8911132E+00 2.2480735E-04 5.5403370E-03 6.8121463E-01 -4.8691847E-01 1.4272829E-01 22 3.6911962E+00 -1.5297840E-04 1.6489017E-03 5.0045014E-01 -5.9013037E-01 1.8276706E-01 23 1.8268178E+00 7.9260341E-05 -5.5303649E-04 7.0403855E-02 2.3976121E-01 -9.6944273E-02 24 9.3686426E-01 -3.7052162E-05 1.3943232E-04 -5.9121439E-04 7.8123423E-01 -3.2976496E-01 25 4.5399640E-01 1.4413411E-05 -9.2999962E-05 1.4847070E-03 3.6780921E-01 -2.7119463E-01 26 1.3741544E-01 -4.8499721E-06 2.5107008E-05 -2.0370342E-04 2.0027349E-02 2.6868682E-01 27 6.3267678E-02 2.9665931E-06 -1.4056194E-05 9.7821238E-05 -2.8005884E-03 6.4244539E-01 28 2.8132239E-02 -8.6963683E-07 5.0783796E-06 -4.9671964E-05 2.2926641E-03 2.8846291E-01 2p 3p 4p 5p 1 9.4254817E+05 2.0735605E-05 -9.1055515E-06 3.3895271E-06 -7.9296872E-07 2 1.3725624E+05 7.6762969E-05 -3.3737278E-05 1.2563057E-05 -2.9413932E-06 3 2.9872868E+04 2.9288670E-04 -1.2900112E-04 4.8030780E-05 -1.1225516E-05 4 8.3654334E+03 1.2232810E-03 -5.4046088E-04 2.0149765E-04 -4.7237187E-05 5 2.8219648E+03 5.1166722E-03 -2.2729936E-03 8.4732807E-04 -1.9790439E-04 6 1.0876972E+03 1.9345759E-02 -8.6810792E-03 3.2454636E-03 -7.6144123E-04 7 4.6096645E+02 6.2231551E-02 -2.8544950E-02 1.0698112E-02 -2.4993992E-03 8 2.0942669E+02 1.6068452E-01 -7.6572856E-02 2.8929124E-02 -6.8005260E-03 9 9.9922642E+01 3.0511317E-01 -1.5365804E-01 5.8539902E-02 -1.3682379E-02 10 4.9403167E+01 3.6916154E-01 -1.9267881E-01 7.4206071E-02 -1.7578969E-02 11 2.4895991E+01 2.1676599E-01 -2.3358708E-02 -8.2561538E-04 8.5804336E-04 12 1.2703825E+01 4.3045292E-02 3.3512607E-01 -1.6733701E-01 3.9792251E-02 13 6.5381624E+00 3.4249747E-03 5.0255200E-01 -2.9025762E-01 7.3661424E-02 14 3.4076288E+00 -2.7179845E-04 2.4938350E-01 -9.3441653E-02 1.6198702E-02 15 1.7207611E+00 2.8061994E-04 3.3331979E-02 3.8634142E-01 -1.0985796E-01 16 8.4085673E-01 -1.8895920E-04 1.2245396E-03 5.3669015E-01 -1.8310661E-01 17 3.9543069E-01 6.1847818E-05 2.7204615E-04 2.5029955E-01 -5.1557250E-02 18 1.3601670E-01 -2.7121328E-05 1.5389173E-06 2.4682166E-02 3.3146749E-01 19 5.5558376E-02 1.3482552E-05 4.5426182E-07 -3.2255163E-03 5.6369521E-01 20 2.2521970E-02 -4.2827439E-06 -1.3444805E-06 1.1179876E-03 2.4711209E-01 3d 4d 1 2.0374105E+03 1.9468163E-04 -5.4449855E-05 2 5.7795724E+02 1.8294592E-03 -5.1366906E-04 3 2.1786437E+02 1.0694780E-02 -3.0093896E-03 4 9.4473257E+01 4.2750199E-02 -1.2122415E-02 5 4.4256388E+01 1.2357583E-01 -3.5433351E-02 6 2.1788708E+01 2.5238285E-01 -7.2538730E-02 7 1.0936056E+01 3.5316828E-01 -9.6928947E-02 8 5.5366584E+00 3.1327460E-01 -6.9297211E-02 9 2.7728058E+00 1.3560797E-01 8.8514413E-02 10 1.3188435E+00 1.9570851E-02 3.0753375E-01 11 5.9918137E-01 7.8837029E-04 4.0154103E-01 12 2.5820747E-01 3.2131672E-04 3.1886155E-01 13 1.0195617E-01 8.1316078E-05 1.3945327E-01 Pseudo-large component functions -------------------------------- 1s 2s 3s 4s 5s 1 8.3302893E+07 4.0533319E-07 -1.3524339E-07 5.7523647E-08 -2.2934094E-08 6.0428614E-09 2 2.0626224E+07 2.9677560E-06 -9.9006755E-07 4.2108367E-07 -1.6777355E-07 4.4194379E-08 3 6.3571419E+06 1.1916890E-05 -3.9768204E-06 1.6915233E-06 -6.7444722E-07 1.7771464E-07 4 2.1460866E+06 4.3106569E-05 -1.4384238E-05 6.1178923E-06 -2.4372805E-06 6.4198758E-07 5 7.8096235E+05 1.3999131E-04 -4.6742733E-05 1.9883489E-05 -7.9289971E-06 2.0893696E-06 6 3.0100666E+05 4.2624554E-04 -1.4237328E-04 6.0561908E-05 -2.4124659E-05 6.3542105E-06 7 1.2207954E+05 1.2170100E-03 -4.0719829E-04 1.7326626E-04 -6.9106788E-05 1.8211493E-05 8 5.1760564E+04 3.2916441E-03 -1.1039595E-03 4.6986073E-04 -1.8715908E-04 4.9293596E-05 9 2.2837348E+04 8.4350096E-03 -2.8461755E-03 1.2125249E-03 -4.8380399E-04 1.2750904E-04 10 1.0439933E+04 2.0472285E-02 -6.9827462E-03 2.9789996E-03 -1.1868997E-03 3.1259706E-04 11 4.9257751E+03 4.6619437E-02 -1.6270104E-02 6.9646641E-03 -2.7821048E-03 7.3341480E-04 12 2.3903707E+03 9.7612838E-02 -3.5545180E-02 1.5306082E-02 -6.1068620E-03 1.6085850E-03 13 1.1892957E+03 1.8029948E-01 -7.1303219E-02 3.1078085E-02 -1.2461975E-02 3.2875325E-03 14 6.0488368E+02 2.7225739E-01 -1.2483223E-01 5.5619349E-02 -2.2315637E-02 5.8818604E-03 15 3.1340417E+02 2.9168713E-01 -1.7140878E-01 7.9502900E-02 -3.2307893E-02 8.5440944E-03 16 1.6416738E+02 1.7495772E-01 -1.2092070E-01 5.9062881E-02 -2.3956047E-02 6.3124957E-03 17 8.4318370E+01 3.7374059E-02 1.4789111E-01 -8.8480876E-02 3.6981031E-02 -9.7783572E-03 18 4.5292673E+01 3.6521917E-05 4.8659229E-01 -3.7188483E-01 1.6745958E-01 -4.5031271E-02 19 2.4410320E+01 9.1212304E-04 4.2508775E-01 -4.4653872E-01 2.0854046E-01 -5.6103476E-02 20 1.2954950E+01 -5.0231764E-04 1.1572407E-01 4.6875522E-02 -2.2195059E-02 5.3114436E-03 21 6.8911132E+00 2.2980707E-04 5.5416199E-03 6.8123848E-01 -4.8670213E-01 1.4265447E-01 22 3.6911962E+00 -1.5584176E-04 1.6601866E-03 5.0067220E-01 -5.9017533E-01 1.8277884E-01 23 1.8268178E+00 8.0745581E-05 -5.6044213E-04 7.0437741E-02 2.3969673E-01 -9.6911494E-02 24 9.3686426E-01 -3.7742393E-05 1.4421204E-04 -5.9108630E-04 7.8126998E-01 -3.2976020E-01 25 4.5399640E-01 1.4650764E-05 -9.5470126E-05 1.4847697E-03 3.6783204E-01 -2.7119714E-01 26 1.3741544E-01 -4.9135533E-06 2.6616890E-05 -2.0349540E-04 2.0029874E-02 2.6868291E-01 27 6.3267678E-02 2.9929596E-06 -1.5447574E-05 9.7591903E-05 -2.8020931E-03 6.4244806E-01 28 2.8132239E-02 -8.7038415E-07 5.7377219E-06 -4.9548928E-05 2.2932949E-03 2.8846343E-01 2p 3p 4p 5p 1 9.4254817E+05 8.6313148E-07 -3.7967572E-07 1.4126590E-07 -3.2957672E-08 2 1.3725624E+05 1.2511183E-05 -5.5071397E-06 2.0526992E-06 -4.8184233E-07 3 2.9872868E+04 1.1915405E-04 -5.2522331E-05 1.9549421E-05 -4.5617396E-06 4 8.3654334E+03 8.2233846E-04 -3.6308610E-04 1.3538181E-04 -3.1761870E-05 5 2.8219648E+03 4.3058691E-03 -1.9101623E-03 7.1183493E-04 -1.6619496E-04 6 1.0876972E+03 1.7912585E-02 -8.0246351E-03 2.9993514E-03 -7.0378749E-04 7 4.6096645E+02 6.0093870E-02 -2.7519078E-02 1.0310560E-02 -2.4085842E-03 8 2.0942669E+02 1.5819008E-01 -7.5279377E-02 2.8434379E-02 -6.6843128E-03 9 9.9922642E+01 3.0308522E-01 -1.5247890E-01 5.8080501E-02 -1.3574387E-02 10 4.9403167E+01 3.6817105E-01 -1.9210059E-01 7.3984737E-02 -1.7526885E-02 11 2.4895991E+01 2.1617003E-01 -2.3392720E-02 -7.6317063E-04 8.4152783E-04 12 1.2703825E+01 4.2298915E-02 3.3503166E-01 -1.6721549E-01 3.9761143E-02 13 6.5381624E+00 2.7329718E-03 5.0265945E-01 -2.9022392E-01 7.3650445E-02 14 3.4076288E+00 -8.6509293E-04 2.4952476E-01 -9.3529314E-02 1.6223554E-02 15 1.7207611E+00 -2.6823217E-04 3.3381236E-02 3.8626611E-01 -1.0983455E-01 16 8.4085673E-01 -6.2915373E-04 1.2618594E-03 5.3665608E-01 -1.8309366E-01 17 3.9543069E-01 -4.1333202E-04 3.0607176E-04 2.5026243E-01 -5.1550431E-02 18 1.3601670E-01 -5.0373548E-04 3.8992567E-05 2.4634338E-02 3.3147344E-01 19 5.5558376E-02 -1.4320986E-04 1.1311413E-05 -3.2410983E-03 5.6369793E-01 20 2.2521970E-02 -4.4052417E-04 3.2315848E-05 1.0736449E-03 2.4711945E-01 3d 4d 1 2.0374105E+03 1.6173917E-04 -4.5221312E-05 2 5.7795724E+02 1.7249129E-03 -4.8424806E-04 3 2.1786437E+02 1.0437016E-02 -2.9363070E-03 4 9.4473257E+01 4.2304342E-02 -1.1994244E-02 5 4.4256388E+01 1.2299873E-01 -3.5263323E-02 6 2.1788708E+01 2.5187379E-01 -7.2387939E-02 7 1.0936056E+01 3.5284824E-01 -9.6837927E-02 8 5.5366584E+00 3.1315029E-01 -6.9277670E-02 9 2.7728058E+00 1.3553914E-01 8.8487541E-02 10 1.3188435E+00 1.9518573E-02 3.0750706E-01 11 5.9918137E-01 7.5282760E-04 4.0152827E-01 12 2.5820747E-01 3.0372556E-04 3.1885672E-01 13 1.0195617E-01 6.7025802E-05 1.3945002E-01 Foldy-Wouthuysen functions -------------------------- 1s 2s 3s 4s 5s 1 8.3302893E+07 3.2136787E-05 -1.0862953E-05 4.6259335E-06 -1.8455585E-06 4.8625462E-07 2 2.0626224E+07 8.0845433E-05 -2.7326439E-05 1.1624775E-05 -4.6328907E-06 1.2199999E-06 3 6.3571419E+06 1.7275711E-04 -5.8494970E-05 2.4930172E-05 -9.9498151E-06 2.6221504E-06 4 2.1460866E+06 3.4804102E-04 -1.1777179E-04 5.0117433E-05 -1.9965764E-05 5.2571859E-06 5 7.8096235E+05 6.8745236E-04 -2.3315810E-04 9.9487083E-05 -3.9711953E-05 1.0467725E-05 6 3.0100666E+05 1.3556964E-03 -4.5934119E-04 1.9569644E-04 -7.7941570E-05 2.0523188E-05 7 1.2207954E+05 2.7226377E-03 -9.2499396E-04 3.9518650E-04 -1.5775583E-04 4.1586577E-05 8 5.1760564E+04 5.6211393E-03 -1.9116648E-03 8.1560292E-04 -3.2484737E-04 8.5547296E-05 9 2.2837348E+04 1.1905608E-02 -4.0796548E-03 1.7448281E-03 -6.9668853E-04 1.8368779E-04 10 1.0439933E+04 2.5418687E-02 -8.8097467E-03 3.7683589E-03 -1.5019451E-03 3.9557946E-04 11 4.9257751E+03 5.3199820E-02 -1.8905994E-02 8.1199477E-03 -3.2447091E-03 8.5547171E-04 12 2.3903707E+03 1.0523305E-01 -3.9064369E-02 1.6865078E-02 -6.7308595E-03 1.7729581E-03 13 1.1892957E+03 1.8697128E-01 -7.5476486E-02 3.2998317E-02 -1.3240432E-02 3.4934453E-03 14 6.0488368E+02 2.7483687E-01 -1.2874062E-01 5.7530781E-02 -2.3093326E-02 6.0871490E-03 15 3.1340417E+02 2.8898533E-01 -1.7357100E-01 8.0720410E-02 -3.2819966E-02 8.6805364E-03 16 1.6416738E+02 1.7099455E-01 -1.2006045E-01 5.8753466E-02 -2.3833350E-02 6.2798282E-03 17 8.4318370E+01 3.5989259E-02 1.5046449E-01 -9.0252541E-02 3.7745525E-02 -9.9817702E-03 18 4.5292673E+01 -1.2080480E-04 4.8748239E-01 -3.7365846E-01 1.6834251E-01 -4.5272136E-02 19 2.4410320E+01 8.6912490E-04 4.2406263E-01 -4.4662752E-01 2.0863693E-01 -5.6130636E-02 20 1.2954950E+01 -5.0949222E-04 1.1520253E-01 4.7692243E-02 -2.2637433E-02 5.4317259E-03 21 6.8911132E+00 2.2247468E-04 5.4880288E-03 6.8148713E-01 -4.8714645E-01 1.4279771E-01 22 3.6911962E+00 -1.5679331E-04 1.6469570E-03 5.0038538E-01 -5.9014388E-01 1.8277407E-01 23 1.8268178E+00 7.8780796E-05 -5.5826763E-04 7.0369379E-02 2.3985827E-01 -9.6976901E-02 24 9.3686426E-01 -3.7901159E-05 1.4055769E-04 -5.9862778E-04 7.8125413E-01 -3.2977564E-01 25 4.5399640E-01 1.4297745E-05 -9.4161023E-05 1.4859218E-03 3.6779755E-01 -2.7119183E-01 26 1.3741544E-01 -4.9440665E-06 2.5158813E-05 -2.0436377E-04 2.0025965E-02 2.6869065E-01 27 6.3267678E-02 2.9544927E-06 -1.4158097E-05 9.8195168E-05 -2.8019407E-03 6.4244633E-01 28 2.8132239E-02 -8.9722819E-07 5.1020688E-06 -4.9931883E-05 2.2932019E-03 2.8846225E-01 2p 3p 4p 5p 1 9.4254817E+05 2.1564079E-05 -9.4161330E-06 3.4993396E-06 -8.1598595E-07 2 1.3725624E+05 8.2042264E-05 -3.5941231E-05 1.3394508E-05 -3.1469147E-06 3 2.9872868E+04 3.1346716E-04 -1.3757167E-04 5.1155086E-05 -1.1921669E-05 4 8.3654334E+03 1.2831253E-03 -5.6590729E-04 2.1105020E-04 -4.9557089E-05 5 2.8219648E+03 5.2783808E-03 -2.3415272E-03 8.7249949E-04 -2.0360662E-04 6 1.0876972E+03 1.9740417E-02 -8.8534920E-03 3.3100702E-03 -7.7690079E-04 7 4.6096645E+02 6.2998087E-02 -2.8891706E-02 1.0827392E-02 -2.5291095E-03 8 2.0942669E+02 1.6178815E-01 -7.7111358E-02 2.9134350E-02 -6.8494815E-03 9 9.9922642E+01 3.0611522E-01 -1.5421258E-01 5.8754824E-02 -1.3731862E-02 10 4.9403167E+01 3.6953481E-01 -1.9295312E-01 7.4320329E-02 -1.7607352E-02 11 2.4895991E+01 2.1663306E-01 -2.3177677E-02 -9.0690385E-04 8.7894845E-04 12 1.2703825E+01 4.2966682E-02 3.3539463E-01 -1.6746426E-01 3.9821481E-02 13 6.5381624E+00 3.4120335E-03 5.0263799E-01 -2.9033186E-01 7.3682389E-02 14 3.4076288E+00 -2.7193080E-04 2.4934468E-01 -9.3409089E-02 1.6188428E-02 15 1.7207611E+00 2.7941068E-04 3.3320889E-02 3.8638710E-01 -1.0986972E-01 16 8.4085673E-01 -1.8856030E-04 1.2223148E-03 5.3669756E-01 -1.8311145E-01 17 3.9543069E-01 6.1643076E-05 2.7226975E-04 2.5029535E-01 -5.1554946E-02 18 1.3601670E-01 -2.7065331E-05 1.3700528E-06 2.4681403E-02 3.3146981E-01 19 5.5558376E-02 1.3449648E-05 5.4477890E-07 -3.2257665E-03 5.6369596E-01 20 2.2521970E-02 -4.2729997E-06 -1.3772833E-06 1.1180650E-03 2.4711182E-01 3d 4d 1 2.0374105E+03 2.0035365E-04 -5.5999257E-05 2 5.7795724E+02 1.8535190E-03 -5.2044175E-04 3 2.1786437E+02 1.0772701E-02 -3.0310811E-03 4 9.4473257E+01 4.2917552E-02 -1.2170041E-02 5 4.4256388E+01 1.2382599E-01 -3.5505838E-02 6 2.1788708E+01 2.5262598E-01 -7.2610184E-02 7 1.0936056E+01 3.5330755E-01 -9.6968141E-02 8 5.5366584E+00 3.1330611E-01 -6.9304212E-02 9 2.7728058E+00 1.3559701E-01 8.8538175E-02 10 1.3188435E+00 1.9567582E-02 3.0755268E-01 11 5.9918137E-01 7.8794443E-04 4.0154804E-01 12 2.5820747E-01 3.2137585E-04 3.1886252E-01 13 1.0195617E-01 8.1292190E-05 1.3945306E-01 ** Ru 102 ** Large component functions ------------------------- 1s 2s 3s 4s 5s 1 8.1785832E+07 1.2184450E-05 -4.0866417E-06 1.7492726E-06 -7.0726163E-07 1.8348445E-07 2 2.0336645E+07 3.2873831E-05 -1.1043070E-05 4.7279177E-06 -1.9112997E-06 4.9561080E-07 3 6.2967431E+06 7.8570935E-05 -2.6446180E-05 1.1325787E-05 -4.5800541E-06 1.1884980E-06 4 2.1344130E+06 1.7833920E-04 -6.0190427E-05 2.5786094E-05 -1.0424353E-05 2.7023721E-06 5 7.7988614E+05 4.0392358E-04 -1.3680459E-04 5.8638135E-05 -2.3720020E-05 6.1576699E-06 6 3.0144395E+05 9.1880603E-04 -3.1237948E-04 1.3395886E-04 -5.4154760E-05 1.4032608E-05 7 1.2241641E+05 2.1050885E-03 -7.1908297E-04 3.0858271E-04 -1.2488195E-04 3.2439045E-05 8 5.1975124E+04 4.8216384E-03 -1.6554807E-03 7.1087629E-04 -2.8737840E-04 7.4417381E-05 9 2.2977695E+04 1.0957582E-02 -3.7924068E-03 1.6304375E-03 -6.6025495E-04 1.7164856E-04 10 1.0522285E+04 2.4438414E-02 -8.5618525E-03 3.6868764E-03 -1.4907498E-03 3.8573114E-04 11 4.9686206E+03 5.2497045E-02 -1.8836844E-02 8.1399544E-03 -3.3007381E-03 8.5906238E-04 12 2.4113334E+03 1.0540432E-01 -3.9503217E-02 1.7174793E-02 -6.9538571E-03 1.7976673E-03 13 1.2000364E+03 1.8815957E-01 -7.6729743E-02 3.3777667E-02 -1.3753637E-02 3.5873695E-03 14 6.1114472E+02 2.7489266E-01 -1.3034793E-01 5.8692495E-02 -2.3897343E-02 6.1674025E-03 15 3.1739876E+02 2.8396416E-01 -1.7274119E-01 8.1015231E-02 -3.3464021E-02 8.7941316E-03 16 1.6676693E+02 1.6292962E-01 -1.1122532E-01 5.4730891E-02 -2.2455952E-02 5.6584733E-03 17 8.5848523E+01 3.2744449E-02 1.6974947E-01 -1.0372475E-01 4.4123450E-02 -1.1140083E-02 18 4.6152054E+01 -1.7334453E-05 4.9625951E-01 -3.9070190E-01 1.7979920E-01 -4.8425105E-02 19 2.4867166E+01 7.5723185E-04 4.0897754E-01 -4.3720836E-01 2.0767737E-01 -5.3604185E-02 20 1.3127730E+01 -4.2667790E-04 1.0284051E-01 9.0608620E-02 -4.4485263E-02 8.3625166E-03 21 7.0618862E+00 1.8858899E-04 3.7031155E-03 7.0102684E-01 -5.3380966E-01 1.6077394E-01 22 3.8006629E+00 -1.2606402E-04 1.6873330E-03 4.6698283E-01 -5.6515872E-01 1.6417023E-01 23 1.8788910E+00 6.2928168E-05 -6.0281377E-04 5.9330586E-02 3.2550017E-01 -1.1379573E-01 24 9.5152606E-01 -2.7027031E-05 1.4374116E-04 -1.5624634E-04 7.9017466E-01 -3.6031184E-01 25 4.5231920E-01 1.0018310E-05 -8.5170374E-05 1.1816824E-03 3.0574220E-01 -2.0785300E-01 26 1.2231913E-01 -3.2703261E-06 2.3427875E-05 -1.5970074E-04 1.1301071E-02 4.0166577E-01 27 5.6699750E-02 2.1760282E-06 -1.4034313E-05 7.4700120E-05 -7.4381667E-04 5.9115566E-01 28 2.5333782E-02 -6.5956070E-07 5.0243353E-06 -3.9475570E-05 1.3248906E-03 1.9742605E-01 2p 3p 4p 5p 1 1.0475839E+06 2.0900182E-05 -9.2524359E-06 3.5064284E-06 -7.9912470E-07 2 1.5240711E+05 7.6770493E-05 -3.4014851E-05 1.2895032E-05 -2.9410941E-06 3 3.3013472E+04 2.8830991E-04 -1.2801356E-04 4.8525575E-05 -1.1048184E-05 4 9.1792721E+03 1.1863758E-03 -5.2845601E-04 2.0058064E-04 -4.5809050E-05 5 3.0746964E+03 4.9362408E-03 -2.2106814E-03 8.3904578E-04 -1.9089826E-04 6 1.1783384E+03 1.8701262E-02 -8.4595393E-03 3.2198606E-03 -7.3598414E-04 7 4.9718298E+02 6.0506041E-02 -2.7965393E-02 1.0671322E-02 -2.4286172E-03 8 2.2511952E+02 1.5755948E-01 -7.5642850E-02 2.9097616E-02 -6.6644589E-03 9 1.0714706E+02 3.0236102E-01 -1.5337782E-01 5.9511916E-02 -1.3550522E-02 10 5.2877205E+01 3.7078225E-01 -1.9532861E-01 7.6642191E-02 -1.7693221E-02 11 2.6615517E+01 2.2149829E-01 -2.8752327E-02 1.3369729E-03 3.7237827E-04 12 1.3571281E+01 4.4863860E-02 3.3417130E-01 -1.7116616E-01 3.9700168E-02 13 6.9918775E+00 3.4830099E-03 5.0620578E-01 -2.9996497E-01 7.4379869E-02 14 3.6499992E+00 -2.8483965E-04 2.4885938E-01 -8.9932526E-02 1.4271128E-02 15 1.8512481E+00 2.7158126E-04 3.2890520E-02 3.9887152E-01 -1.1097731E-01 16 9.0536372E-01 -1.9184387E-04 1.3871235E-03 5.3519373E-01 -1.7842020E-01 17 4.2521033E-01 5.9136492E-05 2.6862782E-04 2.4206102E-01 -4.3036603E-02 18 1.4433626E-01 -2.6201810E-05 1.5999643E-05 2.2659955E-02 3.3122210E-01 19 5.8278831E-02 1.2934747E-05 -5.4444481E-06 -3.0466854E-03 5.6028580E-01 20 2.3412546E-02 -4.1287639E-06 5.6065911E-07 1.0773597E-03 2.4984120E-01 3d 4d 1 1.9860974E+03 2.3304208E-04 -6.8430452E-05 2 5.6358608E+02 2.1820912E-03 -6.4036913E-04 3 2.1245956E+02 1.2621708E-02 -3.7286994E-03 4 9.2008245E+01 4.9631078E-02 -1.4733235E-02 5 4.3030630E+01 1.4014194E-01 -4.2276740E-02 6 2.1113564E+01 2.7515512E-01 -8.2395078E-02 7 1.0539732E+01 3.6535589E-01 -1.0455489E-01 8 5.3054056E+00 2.9111985E-01 -5.3033253E-02 9 2.6248476E+00 1.0309838E-01 1.4131310E-01 10 1.2445805E+00 1.0628892E-02 3.5175344E-01 11 5.5922107E-01 8.8523312E-04 4.0025988E-01 12 2.3613848E-01 1.6731219E-04 2.7587451E-01 13 9.1249056E-02 9.9023670E-05 8.5209848E-02 Pseudo-large component functions -------------------------------- 1s 2s 3s 4s 5s 1 8.1785832E+07 4.4265622E-07 -1.4828241E-07 6.3462012E-08 -2.5666046E-08 6.6638908E-09 2 2.0336645E+07 3.2256116E-06 -1.0803556E-06 4.6234140E-07 -1.8683911E-07 4.8413142E-08 3 6.2967431E+06 1.2865966E-05 -4.3106144E-06 1.8449132E-06 -7.4621580E-07 1.9379405E-07 4 2.1344130E+06 4.6265333E-05 -1.5499737E-05 6.6333454E-06 -2.6802377E-06 6.9421712E-07 5 7.7988614E+05 1.4934420E-04 -5.0065533E-05 2.1429623E-05 -8.6690400E-06 2.2521944E-06 6 3.0144395E+05 4.5343932E-04 -1.5206732E-04 6.5088419E-05 -2.6296128E-05 6.8084591E-06 7 1.2241641E+05 1.2919330E-03 -4.3404306E-04 1.8584265E-04 -7.5196326E-05 1.9544055E-05 8 5.1975124E+04 3.4804163E-03 -1.1721967E-03 5.0202616E-04 -2.0280663E-04 5.2484998E-05 9 2.2977695E+04 8.8783530E-03 -3.0091396E-03 1.2900368E-03 -5.2221713E-04 1.3580963E-04 10 1.0522285E+04 2.1474159E-02 -7.3601273E-03 3.1600013E-03 -1.2768384E-03 3.3024207E-04 11 4.9686206E+03 4.8759240E-02 -1.7113941E-02 7.3736862E-03 -2.9886587E-03 7.7796662E-04 12 2.4113334E+03 1.0161014E-01 -3.7268506E-02 1.6157140E-02 -6.5378826E-03 1.6896831E-03 13 1.2000364E+03 1.8582682E-01 -7.4233008E-02 3.2592367E-02 -1.3265150E-02 3.4601328E-03 14 6.1114472E+02 2.7569649E-01 -1.2822831E-01 5.7602445E-02 -2.3442530E-02 6.0491079E-03 15 3.1739876E+02 2.8745458E-01 -1.7185727E-01 8.0455409E-02 -3.3222348E-02 8.7304531E-03 16 1.6676693E+02 1.6577147E-01 -1.1198969E-01 5.5122959E-02 -2.2620687E-02 5.7019670E-03 17 8.5848523E+01 3.3395027E-02 1.6846147E-01 -1.0253417E-01 4.3578852E-02 -1.0996861E-02 18 4.6152054E+01 -2.5019152E-05 4.9649108E-01 -3.8984099E-01 1.7932920E-01 -4.8296863E-02 19 2.4867166E+01 7.7187818E-04 4.0987938E-01 -4.3732087E-01 2.0769975E-01 -5.3610262E-02 20 1.3127730E+01 -4.3523221E-04 1.0313716E-01 9.0176541E-02 -4.4181681E-02 8.2789524E-03 21 7.0618862E+00 1.9311855E-04 3.6977373E-03 7.0109101E-01 -5.3358713E-01 1.6069600E-01 22 3.8006629E+00 -1.2858007E-04 1.7006420E-03 4.6720984E-01 -5.6522507E-01 1.6419107E-01 23 1.8788910E+00 6.4185514E-05 -6.1124195E-04 5.9362005E-02 3.2543912E-01 -1.1376314E-01 24 9.5152606E-01 -2.7577207E-05 1.4892207E-04 -1.5669143E-04 7.9021799E-01 -3.6030748E-01 25 4.5231920E-01 1.0198561E-05 -8.7703480E-05 1.1820612E-03 3.0576332E-01 -2.0785676E-01 26 1.2231913E-01 -3.3185974E-06 2.5010209E-05 -1.5973265E-04 1.1302765E-02 4.0166234E-01 27 5.6699750E-02 2.1999163E-06 -1.5610678E-05 7.4703913E-05 -7.4501801E-04 5.9115882E-01 28 2.5333782E-02 -6.6198777E-07 5.7911309E-06 -3.9466174E-05 1.3254285E-03 1.9742619E-01 2p 3p 4p 5p 1 1.0475839E+06 8.1939505E-07 -3.6336035E-07 1.3764401E-07 -3.1280394E-08 2 1.5240711E+05 1.1726343E-05 -5.2043396E-06 1.9748565E-06 -4.5165371E-07 3 3.3013472E+04 1.1159272E-04 -4.9592753E-05 1.8793472E-05 -4.2715209E-06 4 9.1792721E+03 7.7592400E-04 -3.4542799E-04 1.3112566E-04 -2.9972024E-05 5 3.0746964E+03 4.1011496E-03 -1.8340870E-03 6.9587228E-04 -1.5825695E-04 6 1.1783384E+03 1.7215756E-02 -7.7741011E-03 2.9582322E-03 -6.7627693E-04 7 4.9718298E+02 5.8273489E-02 -2.6886783E-02 1.0256451E-02 -2.3339075E-03 8 2.2511952E+02 1.5492936E-01 -7.4270412E-02 2.8563049E-02 -6.5421186E-03 9 1.0714706E+02 3.0019879E-01 -1.5211293E-01 5.9009875E-02 -1.3435531E-02 10 5.2877205E+01 3.6971749E-01 -1.9469760E-01 7.6395617E-02 -1.7636669E-02 11 2.6615517E+01 2.2087299E-01 -2.8785735E-02 1.4039597E-03 3.5502434E-04 12 1.3571281E+01 4.4080035E-02 3.3406365E-01 -1.7102826E-01 3.9665705E-02 13 6.9918775E+00 2.7535635E-03 5.0632036E-01 -2.9992704E-01 7.4367827E-02 14 3.6499992E+00 -9.0856165E-04 2.4901040E-01 -9.0030689E-02 1.4298507E-02 15 1.8512481E+00 -3.0731442E-04 3.2941737E-02 3.9879072E-01 -1.1095263E-01 16 9.0536372E-01 -6.5625296E-04 1.4261035E-03 5.3515724E-01 -1.7840675E-01 17 4.2521033E-01 -4.4870049E-04 3.0440575E-04 2.4201962E-01 -4.3029342E-02 18 1.4433626E-01 -5.3378314E-04 5.5266135E-05 2.2607163E-02 3.3122860E-01 19 5.8278831E-02 -1.5743560E-04 6.2053238E-06 -3.0641849E-03 5.6028873E-01 20 2.3412546E-02 -4.6155239E-04 3.5320081E-05 1.0292541E-03 2.4984899E-01 3d 4d 1 1.9860974E+03 1.9426350E-04 -5.7050614E-05 2 5.6358608E+02 2.0597650E-03 -6.0430567E-04 3 2.1245956E+02 1.2324263E-02 -3.6402386E-03 4 9.2008245E+01 4.9128066E-02 -1.4581343E-02 5 4.3030630E+01 1.3951237E-01 -4.2081462E-02 6 2.1113564E+01 2.7462639E-01 -8.2231356E-02 7 1.0539732E+01 3.6504463E-01 -1.0446323E-01 8 5.3054056E+00 2.9100857E-01 -5.3026638E-02 9 2.6248476E+00 1.0302578E-01 1.4127834E-01 10 1.2445805E+00 1.0576764E-02 3.5172670E-01 11 5.5922107E-01 8.4941676E-04 4.0024815E-01 12 2.3613848E-01 1.5032162E-04 2.7587008E-01 13 9.1249056E-02 8.5296619E-05 8.5206570E-02 Foldy-Wouthuysen functions -------------------------- 1s 2s 3s 4s 5s 1 8.1785832E+07 3.5421306E-05 -1.2022930E-05 5.1523765E-06 -2.0856996E-06 5.4206880E-07 2 2.0336645E+07 8.8664323E-05 -3.0097397E-05 1.2882275E-05 -5.2051608E-06 1.3454425E-06 3 6.2967431E+06 1.8860032E-04 -6.4127612E-05 2.7506041E-05 -1.1142175E-05 2.9020595E-06 4 2.1344130E+06 3.7815415E-04 -1.2852958E-04 5.5027885E-05 -2.2220656E-05 5.7347118E-06 5 7.7988614E+05 7.4343758E-04 -2.5326761E-04 1.0876553E-04 -4.4072736E-05 1.1493295E-05 6 3.0144395E+05 1.4612469E-03 -4.9748299E-04 2.1323732E-04 -8.6079435E-05 2.2200918E-05 7 1.2241641E+05 2.9235260E-03 -9.9811302E-04 4.2920006E-04 -1.7393038E-04 4.5372875E-05 8 5.1975124E+04 5.9970965E-03 -2.0502414E-03 8.8015400E-04 -3.5534558E-04 9.1671351E-05 9 2.2977695E+04 1.2610909E-02 -4.3448659E-03 1.8704631E-03 -7.5807376E-04 1.9769777E-04 10 1.0522285E+04 2.6768132E-02 -9.3324083E-03 4.0175311E-03 -1.6234647E-03 4.1915269E-04 11 4.9686206E+03 5.5757515E-02 -1.9948047E-02 8.6253313E-03 -3.4982111E-03 9.1184482E-04 12 2.4113334E+03 1.0961913E-01 -4.1029040E-02 1.7835385E-02 -7.2179991E-03 1.8638943E-03 13 1.2000364E+03 1.9265328E-01 -7.8638606E-02 3.4638834E-02 -1.4109205E-02 3.6829540E-03 14 6.1114472E+02 2.7806009E-01 -1.3226285E-01 5.9599010E-02 -2.4265468E-02 6.2592480E-03 15 3.1739876E+02 2.8441486E-01 -1.7396707E-01 8.1671632E-02 -3.3745537E-02 8.8723939E-03 16 1.6676693E+02 1.6172809E-01 -1.1092345E-01 5.4695884E-02 -2.2444218E-02 5.6506155E-03 17 8.5848523E+01 3.2063504E-02 1.7117284E-01 -1.0447521E-01 4.4434153E-02 -1.1215565E-02 18 4.6152054E+01 -1.7732015E-04 4.9726621E-01 -3.9166098E-01 1.8026089E-01 -4.8554046E-02 19 2.4867166E+01 7.3064632E-04 4.0877949E-01 -4.3730881E-01 2.0774808E-01 -5.3617833E-02 20 1.3127730E+01 -4.4342928E-04 1.0263156E-01 9.1051031E-02 -4.4676517E-02 8.4059301E-03 21 7.0618862E+00 1.8637948E-04 3.6501932E-03 7.0129790E-01 -5.3406380E-01 1.6085646E-01 22 3.8006629E+00 -1.3003152E-04 1.6875640E-03 4.6690201E-01 -5.6514833E-01 1.6416524E-01 23 1.8788910E+00 6.2367671E-05 -6.0830675E-04 5.9299176E-02 3.2560331E-01 -1.1382678E-01 24 9.5152606E-01 -2.7859766E-05 1.4488619E-04 -1.6405529E-04 7.9019024E-01 -3.6032458E-01 25 4.5231920E-01 9.9188086E-06 -8.6327832E-05 1.1829438E-03 3.0572959E-01 -2.0784747E-01 26 1.2231913E-01 -3.3540598E-06 2.3487736E-05 -1.6034998E-04 1.1300557E-02 4.0166913E-01 27 5.6699750E-02 2.1665480E-06 -1.4144680E-05 7.5113934E-05 -7.4550587E-04 5.9115631E-01 28 2.5333782E-02 -6.8542618E-07 5.0494155E-06 -3.9736669E-05 1.3255162E-03 1.9742538E-01 2p 3p 4p 5p 1 1.0475839E+06 2.1663833E-05 -9.5351266E-06 3.6074071E-06 -8.1935260E-07 2 1.5240711E+05 8.1975981E-05 -3.6201676E-05 1.3735269E-05 -3.1440572E-06 3 3.3013472E+04 3.0939854E-04 -1.3687594E-04 5.1814853E-05 -1.1761440E-05 4 9.1792721E+03 1.2483680E-03 -5.5508201E-04 2.1075823E-04 -4.8218069E-05 5 3.0746964E+03 5.1025153E-03 -2.2817792E-03 8.6562981E-04 -1.9675950E-04 6 1.1783384E+03 1.9107050E-02 -8.6382757E-03 3.2880576E-03 -7.5189404E-04 7 4.9718298E+02 6.1300079E-02 -2.8327120E-02 1.0808600E-02 -2.4593292E-03 8 2.2511952E+02 1.5871676E-01 -7.6211249E-02 2.9318181E-02 -6.7157460E-03 9 1.0714706E+02 3.0342914E-01 -1.5397171E-01 5.9746314E-02 -1.3603079E-02 10 5.2877205E+01 3.7119455E-01 -1.9563144E-01 7.6770575E-02 -1.7724297E-02 11 2.6615517E+01 2.2136163E-01 -2.8565108E-02 1.2512784E-03 3.9396601E-04 12 1.3571281E+01 4.4778162E-02 3.3446173E-01 -1.7130727E-01 3.9731770E-02 13 6.9918775E+00 3.4688261E-03 5.0629968E-01 -3.0004791E-01 7.4402781E-02 14 3.6499992E+00 -2.8501499E-04 2.4881679E-01 -8.9894333E-02 1.4259338E-02 15 1.8512481E+00 2.7029971E-04 3.2878690E-02 3.9892146E-01 -1.1098986E-01 16 9.0536372E-01 -1.9143393E-04 1.3847461E-03 5.3520102E-01 -1.7842508E-01 17 4.2521033E-01 5.8926288E-05 2.6884964E-04 2.4205643E-01 -4.3034049E-02 18 1.4433626E-01 -2.6145527E-05 1.5824311E-05 2.2659190E-02 3.3122448E-01 19 5.8278831E-02 1.2901529E-05 -5.3496352E-06 -3.0469565E-03 5.6028658E-01 20 2.3412546E-02 -4.1189210E-06 5.2595223E-07 1.0774441E-03 2.4984092E-01 3d 4d 1 1.9860974E+03 2.3992303E-04 -7.0442647E-05 2 5.6358608E+02 2.2109446E-03 -6.4876196E-04 3 2.1245956E+02 1.2713657E-02 -3.7557446E-03 4 9.2008245E+01 4.9822798E-02 -1.4790164E-02 5 4.3030630E+01 1.4041938E-01 -4.2361855E-02 6 2.1113564E+01 2.7540780E-01 -8.2472003E-02 7 1.0539732E+01 3.6548874E-01 -1.0459531E-01 8 5.3054056E+00 2.9113869E-01 -5.3031890E-02 9 2.6248476E+00 1.0308628E-01 1.4134229E-01 10 1.2445805E+00 1.0626575E-02 3.5177175E-01 11 5.5922107E-01 8.8498529E-04 4.0026547E-01 12 2.3613848E-01 1.6734430E-04 2.7587489E-01 13 9.1249056E-02 9.9008300E-05 8.5209581E-02 ** Rh 103 ** Large component functions ------------------------- 1s 2s 3s 4s 5s 1 8.2100390E+07 1.3200241E-05 -4.4448890E-06 1.9138171E-06 -7.8358461E-07 1.9976950E-07 2 2.0596201E+07 3.5219680E-05 -1.1878384E-05 5.1155102E-06 -2.0941607E-06 5.3363436E-07 3 6.4461001E+06 8.3194995E-05 -2.8115314E-05 1.2111609E-05 -4.9598636E-06 1.2648083E-06 4 2.2054790E+06 1.8679726E-04 -6.3301830E-05 2.7279254E-05 -1.1167584E-05 2.8449568E-06 5 8.1153347E+05 4.1909936E-04 -1.4253431E-04 6.1455706E-05 -2.5174822E-05 6.4223829E-06 6 3.1538254E+05 9.4297365E-04 -3.2196453E-04 1.3888964E-04 -5.6859259E-05 1.4478477E-05 7 1.2869282E+05 2.1384953E-03 -7.3372858E-04 3.1674529E-04 -1.2981181E-04 3.3137096E-05 8 5.4807994E+04 4.8636385E-03 -1.6775245E-03 7.2465861E-04 -2.9666353E-04 7.5492559E-05 9 2.4264117E+04 1.0990789E-02 -3.8217817E-03 1.6529431E-03 -6.7787476E-04 1.7318642E-04 10 1.1125049E+04 2.4354775E-02 -8.5725365E-03 3.7137332E-03 -1.5206470E-03 3.8664979E-04 11 5.2653825E+03 5.1928490E-02 -1.8716352E-02 8.1365353E-03 -3.3414123E-03 8.5468566E-04 12 2.5642348E+03 1.0360897E-01 -3.8970707E-02 1.7044020E-02 -6.9882616E-03 1.7751401E-03 13 1.2808180E+03 1.8465673E-01 -7.5430656E-02 3.3396510E-02 -1.3772155E-02 3.5306076E-03 14 6.5399795E+02 2.7150228E-01 -1.2845237E-01 5.8145628E-02 -2.3973791E-02 6.0796920E-03 15 3.3998883E+02 2.8511034E-01 -1.7222146E-01 8.1147778E-02 -3.3944065E-02 8.7658851E-03 16 1.7851582E+02 1.6829853E-01 -1.1561691E-01 5.7153291E-02 -2.3763185E-02 5.8956270E-03 17 9.1635923E+01 3.5207416E-02 1.6121104E-01 -9.9217061E-02 4.2758307E-02 -1.0598826E-02 18 4.9216695E+01 -1.1961896E-04 4.9383131E-01 -3.8938596E-01 1.8161765E-01 -4.8084320E-02 19 2.6484034E+01 8.9325417E-04 4.1562628E-01 -4.4578691E-01 2.1503212E-01 -5.4634849E-02 20 1.3972185E+01 -5.1361499E-04 1.0644588E-01 8.2807697E-02 -4.0696695E-02 7.1402655E-03 21 7.5275612E+00 2.4735012E-04 3.7196517E-03 7.0610115E-01 -5.5070283E-01 1.6350909E-01 22 4.0612215E+00 -1.6065959E-04 1.7555801E-03 4.6820640E-01 -5.7204538E-01 1.6322326E-01 23 2.0260862E+00 8.0294672E-05 -6.4806668E-04 6.0002634E-02 3.4034399E-01 -1.1792926E-01 24 1.0236630E+00 -3.4554294E-05 1.5332236E-04 3.0730787E-04 7.9170118E-01 -3.5529886E-01 25 4.8601105E-01 1.2418852E-05 -8.8000338E-05 1.1104448E-03 3.0098899E-01 -1.9896613E-01 26 1.2967388E-01 -3.9726775E-06 2.3662899E-05 -1.2974041E-04 1.0729073E-02 3.9812382E-01 27 5.9331856E-02 2.6316030E-06 -1.4120607E-05 5.6154040E-05 -8.2133273E-04 5.9023722E-01 28 2.6289676E-02 -8.0260574E-07 5.0815342E-06 -3.3695827E-05 1.2556912E-03 1.9762283E-01 2p 3p 4p 5p 1 1.1829031E+06 2.0772394E-05 -9.2663325E-06 3.5674743E-06 -7.9028855E-07 2 1.7195440E+05 7.5644944E-05 -3.3773374E-05 1.3006954E-05 -2.8835814E-06 3 3.7065566E+04 2.7905099E-04 -1.2483947E-04 4.8073311E-05 -1.0639006E-05 4 1.0226696E+04 1.1280498E-03 -5.0636692E-04 1.9526032E-04 -4.3347711E-05 5 3.3985612E+03 4.6615117E-03 -2.1033055E-03 8.1095373E-04 -1.7933417E-04 6 1.2940337E+03 1.7700070E-02 -8.0664160E-03 3.1192273E-03 -6.9309482E-04 7 5.4328322E+02 5.7695430E-02 -2.6842252E-02 1.0404512E-02 -2.3014756E-03 8 2.4506406E+02 1.5204765E-01 -7.3453317E-02 2.8706036E-02 -6.3916170E-03 9 1.1633121E+02 2.9663327E-01 -1.5128353E-01 5.9627811E-02 -1.3196869E-02 10 5.7298309E+01 3.7257842E-01 -1.9823467E-01 7.9116201E-02 -1.7757059E-02 11 2.8814410E+01 2.3054148E-01 -4.0124229E-02 6.3455105E-03 -7.4555046E-04 12 1.4661295E+01 4.9051308E-02 3.2664277E-01 -1.7108141E-01 3.8608375E-02 13 7.5493768E+00 3.5638035E-03 5.1164745E-01 -3.0922668E-01 7.4656307E-02 14 3.9426077E+00 -1.9825857E-04 2.5431685E-01 -9.3375322E-02 1.4322288E-02 15 2.0025453E+00 2.1401166E-04 3.3922832E-02 4.0600878E-01 -1.1026614E-01 16 9.7832166E-01 -1.7190437E-04 1.5180124E-03 5.3644700E-01 -1.7362049E-01 17 4.5803042E-01 4.7463975E-05 2.9261953E-04 2.3787965E-01 -3.7885054E-02 18 1.5319760E-01 -2.2266862E-05 2.1994089E-05 2.1278548E-02 3.2759687E-01 19 6.1135742E-02 1.0876152E-05 -7.3579515E-06 -2.9462885E-03 5.5847810E-01 20 2.4312688E-02 -3.4749829E-06 9.8558763E-07 1.0471032E-03 2.5518635E-01 3d 4d 1 2.1385880E+03 2.2823646E-04 -6.9680413E-05 2 6.0497905E+02 2.1352501E-03 -6.5099953E-04 3 2.2769691E+02 1.2394940E-02 -3.8074299E-03 4 9.8548622E+01 4.9032299E-02 -1.5127873E-02 5 4.6095451E+01 1.3926165E-01 -4.3711550E-02 6 2.2634129E+01 2.7512489E-01 -8.5698612E-02 7 1.1317018E+01 3.6674594E-01 -1.0931178E-01 8 5.7130572E+00 2.9081592E-01 -5.3114738E-02 9 2.8361010E+00 1.0138475E-01 1.5073701E-01 10 1.3547584E+00 1.0279862E-02 3.5884341E-01 11 6.1348023E-01 9.7367478E-04 3.9639080E-01 12 2.6094688E-01 1.8056143E-04 2.6550503E-01 13 1.0140641E-01 1.0804435E-04 7.9274155E-02 Pseudo-large component functions -------------------------------- 1s 2s 3s 4s 5s 1 8.2100390E+07 4.6701728E-07 -1.5705976E-07 6.7613787E-08 -2.7691453E-08 7.0655242E-09 2 2.0596201E+07 3.3712974E-06 -1.1335905E-06 4.8797691E-07 -1.9969229E-07 5.0847634E-08 3 6.4461001E+06 1.3244325E-05 -4.4549151E-06 1.9178863E-06 -7.8556254E-07 2.0049143E-07 4 2.2054790E+06 4.7142043E-05 -1.5855677E-05 6.8256006E-06 -2.7927700E-06 7.1082542E-07 5 8.1153347E+05 1.5097955E-04 -5.0814571E-05 2.1878197E-05 -8.9627100E-06 2.2883186E-06 6 3.1538254E+05 4.5512508E-04 -1.5323627E-04 6.5974917E-05 -2.6991033E-05 6.8671992E-06 7 1.2869282E+05 1.2888746E-03 -4.3474029E-04 1.8723699E-04 -7.6721348E-05 1.9596518E-05 8 5.4807994E+04 3.4632230E-03 -1.1710149E-03 5.0447540E-04 -2.0637139E-04 5.2481623E-05 9 2.4264117E+04 8.8203652E-03 -3.0012817E-03 1.2942465E-03 -5.3056842E-04 1.3560161E-04 10 1.1125049E+04 2.1265468E-02 -7.3163655E-03 3.1597238E-03 -1.2928566E-03 3.2858182E-04 11 5.2653825E+03 4.8039477E-02 -1.6920916E-02 7.3333113E-03 -3.0101036E-03 7.7007741E-04 12 2.5642348E+03 9.9649956E-02 -3.6645685E-02 1.5979256E-02 -6.5474704E-03 1.6626905E-03 13 1.2808180E+03 1.8216625E-01 -7.2824171E-02 3.2152827E-02 -1.3253043E-02 3.3977199E-03 14 6.5399795E+02 2.7222910E-01 -1.2621213E-01 5.6989758E-02 -2.3485390E-02 5.9548486E-03 15 3.3998883E+02 2.8871537E-01 -1.7124361E-01 8.0531828E-02 -3.3674992E-02 8.6962265E-03 16 1.7851582E+02 1.7135884E-01 -1.1638488E-01 5.7542694E-02 -2.3928481E-02 5.9385301E-03 17 9.1635923E+01 3.5941132E-02 1.5983482E-01 -9.7957364E-02 4.2174794E-02 -1.0447968E-02 18 4.9216695E+01 -1.2979379E-04 4.9404143E-01 -3.8845099E-01 1.8110142E-01 -4.7945867E-02 19 2.6484034E+01 9.1156598E-04 4.1658290E-01 -4.4589128E-01 2.1504580E-01 -5.4638375E-02 20 1.3972185E+01 -5.2450631E-04 1.0677095E-01 8.2335202E-02 -4.0360829E-02 7.0491850E-03 21 7.5275612E+00 2.5339486E-04 3.7128254E-03 7.0616938E-01 -5.5045651E-01 1.6342407E-01 22 4.0612215E+00 -1.6404885E-04 1.7709467E-03 4.6845079E-01 -5.7212237E-01 1.6324736E-01 23 2.0260862E+00 8.1978078E-05 -6.5780729E-04 6.0036944E-02 3.4027947E-01 -1.1789468E-01 24 1.0236630E+00 -3.5283152E-05 1.5920550E-04 3.0686638E-04 7.9174847E-01 -3.5529440E-01 25 4.8601105E-01 1.2652458E-05 -9.0840927E-05 1.1109233E-03 3.0101169E-01 -1.9897022E-01 26 1.2967388E-01 -4.0327190E-06 2.5400556E-05 -1.2983795E-04 1.0730702E-02 3.9812037E-01 27 5.9331856E-02 2.6601833E-06 -1.5852808E-05 5.6228813E-05 -8.2245871E-04 5.9024038E-01 28 2.6289676E-02 -8.0477553E-07 5.9338372E-06 -3.3723245E-05 1.2561956E-03 1.9762301E-01 2p 3p 4p 5p 1 1.1829031E+06 7.5959475E-07 -3.3938027E-07 1.3059367E-07 -2.8844851E-08 2 1.7195440E+05 1.0714077E-05 -4.7926828E-06 1.8477488E-06 -4.1082352E-07 3 3.7065566E+04 1.0178359E-04 -4.5578257E-05 1.7545510E-05 -3.8757143E-06 4 1.0226696E+04 7.1341109E-04 -3.2009992E-04 1.2345453E-04 -2.7432694E-05 5 3.3985612E+03 3.8118032E-03 -1.7174189E-03 6.6192452E-04 -1.4630870E-04 6 1.2940337E+03 1.6176403E-02 -7.3588455E-03 2.8448802E-03 -6.3223580E-04 7 5.4328322E+02 5.5381530E-02 -2.5718511E-02 9.9654766E-03 -2.2040524E-03 8 2.4506406E+02 1.4928213E-01 -7.2004216E-02 2.8132663E-02 -6.2640566E-03 9 1.1633121E+02 2.9431519E-01 -1.4992338E-01 5.9079339E-02 -1.3074741E-02 10 5.7298309E+01 3.7141527E-01 -1.9753120E-01 7.8835470E-02 -1.7694427E-02 11 2.8814410E+01 2.2988684E-01 -4.0147484E-02 6.4119978E-03 -7.6248830E-04 12 1.4661295E+01 4.8228675E-02 3.2651734E-01 -1.7092507E-01 3.8570370E-02 13 7.5493768E+00 2.7932889E-03 5.1176595E-01 -3.0918130E-01 7.4642494E-02 14 3.9426077E+00 -8.5728120E-04 2.5448002E-01 -9.3483495E-02 1.4351795E-02 15 2.0025453E+00 -3.9886689E-04 3.3977007E-02 4.0592113E-01 -1.1024000E-01 16 9.7832166E-01 -6.6320667E-04 1.5587253E-03 5.3640786E-01 -1.7360653E-01 17 4.5803042E-01 -4.9585574E-04 3.3032467E-04 2.3783362E-01 -3.7877256E-02 18 1.5319760E-01 -5.6298185E-04 6.3142895E-05 2.1220577E-02 3.2760389E-01 19 6.1135742E-02 -1.7389519E-04 5.1189601E-06 -2.9658838E-03 5.5848123E-01 20 2.4312688E-02 -4.8287307E-04 3.6847828E-05 9.9516708E-04 2.5519453E-01 3d 4d 1 2.1385880E+03 1.8806136E-04 -5.7427667E-05 2 6.0497905E+02 2.0075237E-03 -6.1186377E-04 3 2.2769691E+02 1.2082652E-02 -3.7108670E-03 4 9.8548622E+01 4.8499476E-02 -1.4960543E-02 5 4.6095451E+01 1.3859003E-01 -4.3494678E-02 6 2.2634129E+01 2.7455641E-01 -8.5515203E-02 7 1.1317018E+01 3.6641172E-01 -1.0920942E-01 8 5.7130572E+00 2.9069796E-01 -5.3109629E-02 9 2.8361010E+00 1.0130701E-01 1.5069707E-01 10 1.3547584E+00 1.0223800E-02 3.5881417E-01 11 6.1348023E-01 9.3477275E-04 3.9637806E-01 12 2.6094688E-01 1.6207364E-04 2.6550023E-01 13 1.0140641E-01 9.2892168E-05 7.9270416E-02 Foldy-Wouthuysen functions -------------------------- 1s 2s 3s 4s 5s 1 8.2100390E+07 3.8233878E-05 -1.3031406E-05 5.6176543E-06 -2.3028050E-06 5.8812014E-07 2 2.0596201E+07 9.4851944E-05 -3.2332063E-05 1.3920942E-05 -5.6961431E-06 1.4469323E-06 3 6.4461001E+06 1.9990896E-04 -6.8260121E-05 2.9452254E-05 -1.2081725E-05 3.0923720E-06 4 2.2054790E+06 3.9767275E-04 -1.3573828E-04 5.8457108E-05 -2.3904546E-05 6.0624668E-06 5 8.1153347E+05 7.7656808E-04 -2.6572046E-04 1.1478748E-04 -4.7103169E-05 1.2071517E-05 6 3.1538254E+05 1.5135025E-03 -5.1761534E-04 2.2316983E-04 -9.1230796E-05 2.3121328E-05 7 1.2869282E+05 2.9998387E-03 -1.0291056E-03 4.4515703E-04 -1.8268949E-04 4.6836946E-05 8 5.4807994E+04 6.1040908E-03 -2.0970829E-03 9.0561512E-04 -3.7025916E-04 9.3859645E-05 9 2.4264117E+04 1.2736128E-02 -4.4099629E-03 1.9099756E-03 -7.8393700E-04 2.0092792E-04 10 1.1125049E+04 2.6798601E-02 -9.3879216E-03 4.0657547E-03 -1.6637834E-03 4.2208541E-04 11 5.2653825E+03 5.5312851E-02 -1.9878367E-02 8.6473718E-03 -3.5518789E-03 9.0998073E-04 12 2.5642348E+03 1.0795784E-01 -4.0552055E-02 1.7732435E-02 -7.2668490E-03 1.8437126E-03 13 1.2808180E+03 1.8932006E-01 -7.7410824E-02 3.4295432E-02 -1.4148329E-02 3.6300777E-03 14 6.5399795E+02 2.7487459E-01 -1.3046189E-01 5.9101158E-02 -2.4366625E-02 6.1759606E-03 15 3.3998883E+02 2.8568988E-01 -1.7354563E-01 8.1855837E-02 -3.4251229E-02 8.8497105E-03 16 1.7851582E+02 1.6706524E-01 -1.1534927E-01 5.7140852E-02 -2.3761255E-02 5.8901256E-03 17 9.1635923E+01 3.4464082E-02 1.6269561E-01 -9.9997987E-02 4.3085599E-02 -1.0676905E-02 18 4.9216695E+01 -2.9575541E-04 4.9492404E-01 -3.9041582E-01 1.8211888E-01 -4.8221800E-02 19 2.6484034E+01 8.6479176E-04 4.1543008E-01 -4.4591256E-01 2.1511905E-01 -5.4652265E-02 20 1.3972185E+01 -5.3159131E-04 1.0622073E-01 8.3279806E-02 -4.0903143E-02 7.1862418E-03 21 7.5275612E+00 2.4496086E-04 3.6620008E-03 7.0639749E-01 -5.5098662E-01 1.6359983E-01 22 4.0612215E+00 -1.6491625E-04 1.7560536E-03 4.6811810E-01 -5.7203027E-01 1.6321660E-01 23 2.0260862E+00 7.9666992E-05 -6.5405308E-04 5.9968999E-02 3.4045734E-01 -1.1796307E-01 24 1.0236630E+00 -3.5428174E-05 1.5452588E-04 2.9903723E-04 7.9171698E-01 -3.5531189E-01 25 4.8601105E-01 1.2308144E-05 -8.9209166E-05 1.1116053E-03 3.0097556E-01 -1.9896024E-01 26 1.2967388E-01 -4.0579250E-06 2.3731117E-05 -1.3040068E-04 1.0728518E-02 3.9812728E-01 27 5.9331856E-02 2.6197855E-06 -1.4243984E-05 5.6586208E-05 -8.2311507E-04 5.9023791E-01 28 2.6289676E-02 -8.2820260E-07 5.1097845E-06 -3.3976367E-05 1.2563589E-03 1.9762214E-01 2p 3p 4p 5p 1 1.1829031E+06 2.1450184E-05 -9.5113457E-06 3.6552263E-06 -8.0690144E-07 2 1.7195440E+05 8.0649237E-05 -3.5888492E-05 1.3833677E-05 -3.0783620E-06 3 3.7065566E+04 3.0020844E-04 -1.3379625E-04 5.1448079E-05 -1.1349538E-05 4 1.0226696E+04 1.1911677E-03 -5.3375246E-04 2.0590160E-04 -4.5796712E-05 5 3.3985612E+03 4.8297105E-03 -2.1757846E-03 8.3847174E-04 -1.8522676E-04 6 1.2940337E+03 1.8111175E-02 -8.2489107E-03 3.1899943E-03 -7.0915353E-04 7 5.4328322E+02 5.8508316E-02 -2.7214566E-02 1.0547977E-02 -2.3326537E-03 8 2.4506406E+02 1.5325396E-01 -7.4048656E-02 2.8940710E-02 -6.4446775E-03 9 1.1633121E+02 2.9777631E-01 -1.5191926E-01 5.9882513E-02 -1.3252375E-02 10 5.7298309E+01 3.7304830E-01 -1.9857798E-01 7.9263897E-02 -1.7791747E-02 11 2.8814410E+01 2.3040621E-01 -3.9939013E-02 6.2592043E-03 -7.2425445E-04 12 1.4661295E+01 4.8955395E-02 3.2695857E-01 -1.7123763E-01 3.8642416E-02 13 7.5493768E+00 3.5476200E-03 5.1175419E-01 -3.0932101E-01 7.4681606E-02 14 3.9426077E+00 -1.9851633E-04 2.5427063E-01 -9.3332476E-02 1.4309372E-02 15 2.0025453E+00 2.1265029E-04 3.3909761E-02 4.0606376E-01 -1.1027963E-01 16 9.7832166E-01 -1.7148301E-04 1.5154340E-03 5.3645448E-01 -1.7362546E-01 17 4.5803042E-01 4.7247444E-05 2.9284217E-04 2.3787465E-01 -3.7882315E-02 18 1.5319760E-01 -2.2210745E-05 2.1810902E-05 2.1277762E-02 3.2759930E-01 19 6.1135742E-02 1.0842723E-05 -7.2576834E-06 -2.9465794E-03 5.5847893E-01 20 2.4312688E-02 -3.4650428E-06 9.4835930E-07 1.0471949E-03 2.5518607E-01 3d 4d 1 2.1385880E+03 2.3539558E-04 -7.1862736E-05 2 6.0497905E+02 2.1652060E-03 -6.6003440E-04 3 2.2769691E+02 1.2490899E-02 -3.8367976E-03 4 9.8548622E+01 4.9234495E-02 -1.5190230E-02 5 4.6095451E+01 1.3955696E-01 -4.3805893E-02 6 2.2634129E+01 2.7539694E-01 -8.5784799E-02 7 1.1317018E+01 3.6689008E-01 -1.0935772E-01 8 5.7130572E+00 2.9083564E-01 -5.3112041E-02 9 2.8361010E+00 1.0137140E-01 1.5077040E-01 10 1.3547584E+00 1.0277355E-02 3.5886343E-01 11 6.1348023E-01 9.7341707E-04 3.9639667E-01 12 2.6094688E-01 1.8059117E-04 2.6550534E-01 13 1.0140641E-01 1.0802877E-04 7.9273861E-02 ** Pd 106 ** Large component functions ------------------------- 1s 2s 3s 4s 5s 1 8.1157138E+07 1.4504007E-05 -4.9031848E-06 2.1227728E-06 -8.7656044E-07 2.1291108E-07 2 2.0415682E+07 3.8566565E-05 -1.3059126E-05 5.6550385E-06 -2.3348957E-06 5.6694935E-07 3 6.4098091E+06 9.0625801E-05 -3.0750918E-05 1.3320197E-05 -5.5012995E-06 1.3364707E-06 4 2.1998244E+06 2.0237570E-04 -6.8865317E-05 2.9841307E-05 -1.2321632E-05 2.9913639E-06 5 8.1155018E+05 4.5165760E-04 -1.5426553E-04 6.6883747E-05 -2.7631376E-05 6.7145823E-06 6 3.1602350E+05 1.0106741E-03 -3.4660951E-04 1.5035710E-04 -6.2086965E-05 1.5068694E-05 7 1.2916756E+05 2.2794615E-03 -7.8574703E-04 3.4110792E-04 -1.4098081E-04 3.4274105E-05 8 5.5087455E+04 5.1567361E-03 -1.7873116E-03 7.7645896E-04 -3.2064531E-04 7.7788641E-05 9 2.4416188E+04 1.1596470E-02 -4.0536499E-03 1.7632471E-03 -7.2921069E-04 1.7738507E-04 10 1.1203843E+04 2.5585048E-02 -9.0569916E-03 3.9463818E-03 -1.6301846E-03 3.9528011E-04 11 5.3044215E+03 5.4324332E-02 -1.9709677E-02 8.6192866E-03 -3.5694443E-03 8.6903901E-04 12 2.5825411E+03 1.0786077E-01 -4.0898261E-02 1.7998498E-02 -7.4463221E-03 1.8045571E-03 13 1.2889226E+03 1.9067804E-01 -7.8759836E-02 3.5106056E-02 -1.4600133E-02 3.5608998E-03 14 6.5757282E+02 2.7587486E-01 -1.3259671E-01 6.0488758E-02 -2.5179585E-02 6.0972787E-03 15 3.4180366E+02 2.8094440E-01 -1.7307854E-01 8.2283723E-02 -3.4722876E-02 8.5203844E-03 16 1.7975144E+02 1.5759010E-01 -1.0446952E-01 5.1950231E-02 -2.1818158E-02 5.1914740E-03 17 9.2513968E+01 3.0548179E-02 1.8587904E-01 -1.1652310E-01 5.1074665E-02 -1.2255236E-02 18 4.9794954E+01 -1.2887909E-04 5.0207871E-01 -4.0733585E-01 1.9249191E-01 -4.8351531E-02 19 2.6866265E+01 7.1809836E-04 3.9636026E-01 -4.3096094E-01 2.1115617E-01 -5.1595509E-02 20 1.4164398E+01 -4.2313653E-04 9.4401445E-02 1.2617499E-01 -6.6274036E-02 1.4157328E-02 21 7.7283429E+00 1.9656223E-04 2.4364558E-03 7.1577544E-01 -5.8467488E-01 1.6503888E-01 22 4.2039654E+00 -1.2928794E-04 1.7250430E-03 4.3802858E-01 -5.4195070E-01 1.4885340E-01 23 2.1264710E+00 6.4261405E-05 -6.6326321E-04 5.3760899E-02 3.8647845E-01 -1.3394348E-01 24 1.0733849E+00 -2.6188325E-05 1.4962281E-04 9.1123608E-04 7.7140391E-01 -3.2587974E-01 25 5.1116205E-01 9.4479380E-06 -8.4272513E-05 9.5523015E-04 2.9061447E-01 -1.8154200E-01 26 1.3613043E-01 -2.9011062E-06 2.1213338E-05 -6.6679810E-05 1.1183158E-02 3.4631698E-01 27 6.1321169E-02 1.8993123E-06 -1.3672076E-05 4.5021586E-05 -2.9278482E-03 6.0400328E-01 28 2.7026919E-02 -5.8252750E-07 4.3785666E-06 -1.7833299E-05 9.6628026E-04 2.2359632E-01 2p 3p 4p 5p 1 1.2884734E+06 2.1201605E-05 -9.5263696E-06 3.7037696E-06 -8.9212755E-07 2 1.8721286E+05 7.6806691E-05 -3.4540340E-05 1.3433054E-05 -3.2385659E-06 3 4.0210389E+04 2.8006573E-04 -1.2620356E-04 4.9081192E-05 -1.1808109E-05 4 1.1030612E+04 1.1181895E-03 -5.0561172E-04 1.9687934E-04 -4.7544880E-05 5 3.6435599E+03 4.5955512E-03 -2.0888776E-03 8.1345784E-04 -1.9550909E-04 6 1.3802685E+03 1.7459850E-02 -8.0153875E-03 3.1299543E-03 -7.5668790E-04 7 5.7717503E+02 5.7110016E-02 -2.6763392E-02 1.0478772E-02 -2.5190102E-03 8 2.5953687E+02 1.5122615E-01 -7.3583942E-02 2.9043142E-02 -7.0377470E-03 9 1.2290268E+02 2.9646188E-01 -1.5233144E-01 6.0672377E-02 -1.4590060E-02 10 6.0418948E+01 3.7366739E-01 -2.0021499E-01 8.0698265E-02 -1.9742717E-02 11 3.0335832E+01 2.3136043E-01 -4.0101420E-02 6.1936635E-03 -6.2433569E-04 12 1.5433466E+01 4.8873845E-02 3.3118943E-01 -1.7647057E-01 4.3244367E-02 13 7.9609662E+00 3.5690262E-03 5.1359305E-01 -3.1598206E-01 8.3767076E-02 14 4.1638907E+00 -2.7576454E-04 2.4879809E-01 -8.2975194E-02 1.0965453E-02 15 2.1249439E+00 2.3478603E-04 3.2196064E-02 4.1702708E-01 -1.2373086E-01 16 1.0396241E+00 -1.9006615E-04 1.7304549E-03 5.2647605E-01 -1.9035380E-01 17 4.8674991E-01 4.9810219E-05 3.0876599E-04 2.3531748E-01 -1.6103920E-02 18 1.6087631E-01 -2.4026505E-05 5.7683500E-05 2.2328919E-02 3.6788742E-01 19 6.3576096E-02 1.1783047E-05 -2.2965063E-05 -2.6472493E-03 5.4695115E-01 20 2.5085381E-02 -3.5741792E-06 1.3258933E-06 1.5026564E-03 2.2153380E-01 3d 4d 1 2.0858626E+03 2.7096579E-04 -8.2814333E-05 2 5.9026826E+02 2.5261767E-03 -7.6942984E-04 3 2.2216177E+02 1.4507173E-02 -4.4626457E-03 4 9.6024528E+01 5.6468380E-02 -1.7430498E-02 5 4.4850214E+01 1.5642037E-01 -4.9254495E-02 6 2.1951429E+01 2.9689887E-01 -9.2026325E-02 7 1.0931444E+01 3.7378176E-01 -1.1032462E-01 8 5.4925360E+00 2.6398648E-01 -2.7103585E-02 9 2.6866458E+00 7.5019397E-02 2.0050093E-01 10 1.2639396E+00 4.9148586E-03 3.7865775E-01 11 5.6009725E-01 6.0708327E-04 3.7649354E-01 12 2.3033269E-01 -1.0091499E-04 2.3810422E-01 13 8.6088728E-02 4.9394752E-05 6.4320753E-02 Pseudo-large component functions -------------------------------- 1s 2s 3s 4s 5s 1 8.1157138E+07 5.0503112E-07 -1.7050970E-07 7.3807736E-08 -3.0484306E-08 7.4085153E-09 2 2.0415682E+07 3.6379045E-06 -1.2280045E-06 5.3152891E-07 -2.1939316E-07 5.3244987E-08 3 6.4098091E+06 1.4215338E-05 -4.8003348E-06 2.0779638E-06 -8.5832464E-07 2.0863480E-07 4 2.1998244E+06 5.0371130E-05 -1.7008003E-05 7.3619809E-06 -3.0383428E-06 7.3717077E-07 5 8.1155018E+05 1.6068295E-04 -5.4295044E-05 2.3505445E-05 -9.7104752E-06 2.3609510E-06 6 3.1602350E+05 4.8278698E-04 -1.6319358E-04 7.0649588E-05 -2.9154914E-05 7.0717961E-06 7 1.2916756E+05 1.3629146E-03 -4.6158655E-04 1.9989724E-04 -8.2596874E-05 2.0088077E-05 8 5.5087455E+04 3.6512761E-03 -1.2397090E-03 5.3703207E-04 -2.2161043E-04 5.3736999E-05 9 2.4416188E+04 9.2727065E-03 -3.1691567E-03 1.3742668E-03 -5.6808780E-04 1.3822117E-04 10 1.1203843E+04 2.2295004E-02 -7.7072389E-03 3.3473797E-03 -1.3817259E-03 3.3491845E-04 11 5.3044215E+03 5.0216137E-02 -1.7788017E-02 7.7538070E-03 -3.2093096E-03 7.8142560E-04 12 2.5825411E+03 1.0374541E-01 -3.8424340E-02 1.6856924E-02 -6.9693960E-03 1.6885828E-03 13 1.2889226E+03 1.8822128E-01 -7.6016076E-02 3.3784579E-02 -1.4043378E-02 3.4251336E-03 14 6.5757282E+02 2.7687351E-01 -1.3029890E-01 5.9287101E-02 -2.4666478E-02 5.9721802E-03 15 3.4180366E+02 2.8480286E-01 -1.7217044E-01 8.1691475E-02 -3.4460830E-02 8.4557837E-03 16 1.7975144E+02 1.6063336E-01 -1.0537473E-01 5.2436023E-02 -2.2027719E-02 5.2430947E-03 17 9.2513968E+01 3.1218470E-02 1.8447804E-01 -1.1516013E-01 5.0431378E-02 -1.2096198E-02 18 4.9794954E+01 -1.3944768E-04 5.0241352E-01 -4.0641134E-01 1.9196705E-01 -4.8217258E-02 19 2.6866265E+01 7.3360981E-04 3.9733977E-01 -4.3112664E-01 2.1120349E-01 -5.1607031E-02 20 1.4164398E+01 -4.3245085E-04 9.4712419E-02 1.2567907E-01 -6.5899406E-02 1.4058982E-02 21 7.7283429E+00 2.0171293E-04 2.4217447E-03 7.1588768E-01 -5.8443011E-01 1.6495682E-01 22 4.2039654E+00 -1.3215387E-04 1.7441204E-03 4.3827481E-01 -5.4204659E-01 1.4888312E-01 23 2.1264710E+00 6.5673623E-05 -6.7538954E-04 5.3795468E-02 3.8641872E-01 -1.3390986E-01 24 1.0733849E+00 -2.6775659E-05 1.5685129E-04 9.0992016E-04 7.7145439E-01 -3.2587656E-01 25 5.1116205E-01 9.6349124E-06 -8.7733008E-05 9.5625397E-04 2.9063761E-01 -1.8154599E-01 26 1.3613043E-01 -2.9478162E-06 2.3280407E-05 -6.7131471E-05 1.1184789E-02 3.4631361E-01 27 6.1321169E-02 1.9213498E-06 -1.5726599E-05 4.5461780E-05 -2.9288863E-03 6.0400603E-01 28 2.7026919E-02 -5.8436071E-07 5.4036934E-06 -1.8048596E-05 9.6672931E-04 2.2359668E-01 2p 3p 4p 5p 1 1.2884734E+06 7.4139086E-07 -3.3366403E-07 1.2968003E-07 -3.1122960E-08 2 1.8721286E+05 1.0335212E-05 -4.6569947E-06 1.8128937E-06 -4.3865164E-07 3 4.0210389E+04 9.7936664E-05 -4.4179888E-05 1.7177732E-05 -4.1228180E-06 4 1.1030612E+04 6.8995089E-04 -3.1185509E-04 1.2145018E-04 -2.9365316E-05 5 3.6435599E+03 3.7136194E-03 -1.6855175E-03 6.5613941E-04 -1.5760222E-04 6 1.3802685E+03 1.5871148E-02 -7.2724749E-03 2.8390497E-03 -6.8650909E-04 7 5.7717503E+02 5.4686149E-02 -2.5578236E-02 1.0011089E-02 -2.4061587E-03 8 2.5953687E+02 1.4831547E-01 -7.2048310E-02 2.8429325E-02 -6.8891994E-03 9 1.2290268E+02 2.9401351E-01 -1.5088429E-01 6.0082565E-02 -1.4447214E-02 10 6.0418948E+01 3.7243922E-01 -1.9946673E-01 8.0396693E-02 -1.9669481E-02 11 3.0335832E+01 2.3067313E-01 -4.0130397E-02 6.2679793E-03 -6.4513151E-04 12 1.5433466E+01 4.8012008E-02 3.3105205E-01 -1.7629740E-01 4.3198413E-02 13 7.9609662E+00 2.7606383E-03 5.1372231E-01 -3.1593533E-01 8.3751229E-02 14 4.1638907E+00 -9.6448905E-04 2.4896990E-01 -8.3094971E-02 1.1001793E-02 15 2.1249439E+00 -4.0820826E-04 3.2251392E-02 4.1693600E-01 -1.2370078E-01 16 1.0396241E+00 -7.0471794E-04 1.7727219E-03 5.2643421E-01 -1.9033810E-01 17 4.8674991E-01 -5.2714051E-04 3.4812229E-04 2.3526696E-01 -1.6095316E-02 18 1.6087631E-01 -5.9692260E-04 1.0059143E-04 2.2266033E-02 3.6789610E-01 19 6.3576096E-02 -1.8645581E-04 -9.7823330E-06 -2.6687515E-03 5.4695503E-01 20 2.5085381E-02 -5.0480378E-04 3.8230430E-05 1.4470727E-03 2.2154338E-01 3d 4d 1 2.0858626E+03 2.2403598E-04 -6.8501183E-05 2 5.9026826E+02 2.3778986E-03 -7.2398015E-04 3 2.2216177E+02 1.4149662E-02 -4.3519501E-03 4 9.6024528E+01 5.5872096E-02 -1.7242633E-02 5 4.4850214E+01 1.5569445E-01 -4.9019106E-02 6 2.1951429E+01 2.9631402E-01 -9.1838007E-02 7 1.0931444E+01 3.7346203E-01 -1.1022927E-01 8 5.4925360E+00 2.6387909E-01 -2.7114595E-02 9 2.6866458E+00 7.4935955E-02 2.0045675E-01 10 1.2639396E+00 4.8589678E-03 3.7863045E-01 11 5.6009725E-01 5.6841274E-04 3.7648187E-01 12 2.3033269E-01 -1.1877692E-04 2.3809931E-01 13 8.6088728E-02 3.5383996E-05 6.4317308E-02 Foldy-Wouthuysen functions -------------------------- 1s 2s 3s 4s 5s 1 8.1157138E+07 4.1854225E-05 -1.4323978E-05 6.2092985E-06 -2.5672410E-06 6.2432414E-07 2 2.0415682E+07 1.0349493E-04 -3.5426330E-05 1.5337058E-05 -6.3289035E-06 1.5332672E-06 3 6.4098091E+06 2.1722906E-04 -7.4482086E-05 3.2317112E-05 -1.3371781E-05 3.2570229E-06 4 2.1998244E+06 4.3044150E-04 -1.4756061E-04 6.3895322E-05 -2.6349564E-05 6.3762701E-06 5 8.1155018E+05 8.3753572E-04 -2.8783295E-04 1.2503997E-04 -5.1755871E-05 1.2618158E-05 6 3.1602350E+05 1.6260124E-03 -5.5869142E-04 2.4219657E-04 -9.9849263E-05 2.4151218E-05 7 1.2916756E+05 3.2081158E-03 -1.1058758E-03 4.8108869E-04 -1.9914405E-04 4.8565229E-05 8 5.5087455E+04 6.4935806E-03 -2.2424141E-03 9.7377443E-04 -4.0154213E-04 9.7144996E-05 9 2.4416188E+04 1.3474020E-02 -4.6908241E-03 2.0433991E-03 -8.4588160E-04 2.0624874E-04 10 1.1203843E+04 2.8203676E-02 -9.9381411E-03 4.3288761E-03 -1.7869287E-03 4.3259164E-04 11 5.3044215E+03 5.7928511E-02 -2.0958453E-02 9.1720373E-03 -3.7995659E-03 9.2614255E-04 12 2.5825411E+03 1.1245471E-01 -4.2588056E-02 1.8738769E-02 -7.7480345E-03 1.8760187E-03 13 1.2889226E+03 1.9553377E-01 -8.0857943E-02 3.6065710E-02 -1.5005725E-02 3.6621429E-03 14 6.5757282E+02 2.7926008E-01 -1.3468510E-01 6.1491992E-02 -2.5595788E-02 6.1956436E-03 15 3.4180366E+02 2.8137270E-01 -1.7438657E-01 8.2999418E-02 -3.5037389E-02 8.6010327E-03 16 1.7975144E+02 1.5627953E-01 -1.0407234E-01 5.1876256E-02 -2.1790997E-02 5.1813011E-03 17 9.2513968E+01 2.9831266E-02 1.8747129E-01 -1.1739312E-01 5.1447961E-02 -1.2342447E-02 18 4.9794954E+01 -2.9878999E-04 5.0313171E-01 -4.0839397E-01 1.9301470E-01 -4.8486556E-02 19 2.6866265E+01 6.9036245E-04 3.9611908E-01 -4.3102549E-01 2.1121813E-01 -5.1607694E-02 20 1.4164398E+01 -4.4143377E-04 9.4181783E-02 1.2667800E-01 -6.6502108E-02 1.4208195E-02 21 7.7283429E+00 1.9458633E-04 2.3774935E-03 7.1606885E-01 -5.8497984E-01 1.6513112E-01 22 4.2039654E+00 -1.3384039E-04 1.7276641E-03 4.3792541E-01 -5.4191333E-01 1.4884154E-01 23 2.1264710E+00 6.3660148E-05 -6.6969377E-04 5.3729481E-02 3.8659675E-01 -1.3397912E-01 24 1.0733849E+00 -2.7132374E-05 1.5088754E-04 9.0235957E-04 7.7141749E-01 -3.2589028E-01 25 5.1116205E-01 9.3655087E-06 -8.5503639E-05 9.5633417E-04 2.9060092E-01 -1.8153666E-01 26 1.3613043E-01 -2.9922922E-06 2.1281617E-05 -6.7340852E-05 1.1182520E-02 3.4632019E-01 27 6.1321169E-02 1.8914019E-06 -1.3807419E-05 4.5464887E-05 -2.9296338E-03 6.0400417E-01 28 2.7026919E-02 -6.0892611E-07 4.4096974E-06 -1.8124020E-05 9.6694786E-04 2.2359562E-01 2p 3p 4p 5p 1 1.2884734E+06 2.1829671E-05 -9.7488300E-06 3.7834932E-06 -9.0740643E-07 2 1.8721286E+05 8.1799449E-05 -3.6659817E-05 1.4269167E-05 -3.4562340E-06 3 4.0210389E+04 3.0193700E-04 -1.3554163E-04 5.2637133E-05 -1.2612940E-05 4 1.1030612E+04 1.1842727E-03 -5.3452997E-04 2.0822212E-04 -5.0405983E-05 5 3.6435599E+03 4.7708788E-03 -2.1650907E-03 8.4269638E-04 -2.0226575E-04 6 1.3802685E+03 1.7887229E-02 -8.2065501E-03 3.2048023E-03 -7.7525851E-04 7 5.7717503E+02 5.7957976E-02 -2.7154608E-02 1.0631050E-02 -2.5548237E-03 8 2.5953687E+02 1.5249212E-01 -7.4213074E-02 2.9293613E-02 -7.0995989E-03 9 1.2290268E+02 2.9766940E-01 -1.5300797E-01 6.0946384E-02 -1.4654673E-02 10 6.0418948E+01 3.7416714E-01 -2.0058152E-01 8.0857525E-02 -1.9783867E-02 11 3.0335832E+01 2.3121851E-01 -3.9904137E-02 6.1008572E-03 -5.9886329E-04 12 1.5433466E+01 4.8772401E-02 3.3152683E-01 -1.7664084E-01 4.3284354E-02 13 7.9609662E+00 3.5520296E-03 5.1370469E-01 -3.1608340E-01 8.3797388E-02 14 4.1638907E+00 -2.7604459E-04 2.4874741E-01 -8.2924827E-02 1.0948370E-02 15 2.1249439E+00 2.3336568E-04 3.2182676E-02 4.1708515E-01 -1.2374620E-01 16 1.0396241E+00 -1.8964048E-04 1.7277547E-03 5.2648298E-01 -1.9035959E-01 17 4.8674991E-01 4.9591037E-05 3.0898755E-04 2.3531239E-01 -1.6100002E-02 18 1.6087631E-01 -2.3970372E-05 5.7493980E-05 2.2328086E-02 3.6789003E-01 19 6.3576096E-02 1.1749440E-05 -2.2860678E-05 -2.6475418E-03 5.4695192E-01 20 2.5085381E-02 -3.5641892E-06 1.2870524E-06 1.5027482E-03 2.2153349E-01 3d 4d 1 2.0858626E+03 2.7955056E-04 -8.5463173E-05 2 5.9026826E+02 2.5617909E-03 -7.8008690E-04 3 2.2216177E+02 1.4619328E-02 -4.4971551E-03 4 9.6024528E+01 5.6698161E-02 -1.7501297E-02 5 4.4850214E+01 1.5674442E-01 -4.9358811E-02 6 2.1951429E+01 2.9717875E-01 -9.2114264E-02 7 1.0931444E+01 3.7391604E-01 -1.1036851E-01 8 5.4925360E+00 2.6399343E-01 -2.7090110E-02 9 2.6866458E+00 7.5006684E-02 2.0053724E-01 10 1.2639396E+00 4.9130387E-03 3.7867512E-01 11 5.6009725E-01 6.0698735E-04 3.7649791E-01 12 2.3033269E-01 -1.0092159E-04 2.3810437E-01 13 8.6088728E-02 4.9391881E-05 6.4320524E-02 ** Ag 107 ** Large component functions ------------------------- 1s 2s 3s 4s 5s 1 8.1368610E+07 1.5703843E-05 -5.3296531E-06 2.3197702E-06 -9.7043060E-07 2.3647620E-07 2 2.0609264E+07 4.1395605E-05 -1.4072762E-05 6.1266901E-06 -2.5626712E-06 6.2418796E-07 3 6.5258024E+06 9.6287506E-05 -3.2802492E-05 1.4285154E-05 -5.9770430E-06 1.4568656E-06 4 2.2584558E+06 2.1259584E-04 -7.2637075E-05 3.1645265E-05 -1.3237060E-05 3.2232973E-06 5 8.3990485E+05 4.6908749E-04 -1.6087844E-04 7.0126820E-05 -2.9350941E-05 7.1569396E-06 6 3.2935379E+05 1.0376970E-03 -3.5739219E-04 1.5587525E-04 -6.5205214E-05 1.5870966E-05 7 1.3541393E+05 2.3145334E-03 -8.0131962E-04 3.4975695E-04 -1.4645537E-04 3.5733754E-05 8 5.8045072E+04 5.1803457E-03 -1.8036644E-03 7.8785327E-04 -3.2959014E-04 8.0171373E-05 9 2.5842071E+04 1.1538695E-02 -4.0519206E-03 1.7721295E-03 -7.4255019E-04 1.8132791E-04 10 1.1903426E+04 2.5261219E-02 -8.9831111E-03 3.9357124E-03 -1.6469219E-03 4.0029075E-04 11 5.6525803E+03 5.3366852E-02 -1.9440959E-02 8.5478699E-03 -3.5867142E-03 8.7688803E-04 12 2.7574841E+03 1.0579241E-01 -4.0240250E-02 1.7803960E-02 -7.4613365E-03 1.8118533E-03 13 1.3775440E+03 1.8746572E-01 -7.7508039E-02 3.4723790E-02 -1.4632776E-02 3.5854454E-03 14 7.0294769E+02 2.7319587E-01 -1.3098705E-01 6.0037587E-02 -2.5313129E-02 6.1373252E-03 15 3.6533891E+02 2.8237939E-01 -1.7266162E-01 8.2414131E-02 -3.5243436E-02 8.7019624E-03 16 1.9207083E+02 1.6258541E-01 -1.0911921E-01 5.4509275E-02 -2.3181077E-02 5.4847106E-03 17 9.9011342E+01 3.2956590E-02 1.7436008E-01 -1.0985401E-01 4.8719210E-02 -1.1589551E-02 18 5.3306775E+01 -4.1456840E-05 4.9729885E-01 -4.0245829E-01 1.9282948E-01 -4.8863493E-02 19 2.8766828E+01 7.6599856E-04 4.0572749E-01 -4.4208178E-01 2.1965246E-01 -5.3399287E-02 20 1.5206801E+01 -4.4981158E-04 1.0054080E-01 1.0682642E-01 -5.5544387E-02 1.0362534E-02 21 8.3019877E+00 2.1248700E-04 2.9207987E-03 7.1705910E-01 -5.9528531E-01 1.7060962E-01 22 4.5202998E+00 -1.3834393E-04 1.7335942E-03 4.4978356E-01 -5.5734815E-01 1.5075278E-01 23 2.2858074E+00 6.8247820E-05 -6.6972963E-04 5.6633947E-02 3.9113684E-01 -1.3102262E-01 24 1.1523329E+00 -2.7670627E-05 1.4513949E-04 8.7928157E-04 7.8558717E-01 -3.3985756E-01 25 5.4711869E-01 9.8287676E-06 -8.2659110E-05 9.9017827E-04 2.7975698E-01 -1.7754195E-01 26 1.4334351E-01 -2.9651802E-06 2.0798491E-05 -8.9877516E-05 8.5181048E-03 3.9139180E-01 27 6.3864096E-02 1.9294002E-06 -1.2470119E-05 4.0615378E-05 -1.0727676E-03 5.8937958E-01 28 2.7916540E-02 -6.0012837E-07 4.4267841E-06 -2.4188225E-05 8.7265360E-04 1.9712662E-01 2p 3p 4p 5p 1 1.4907153E+06 2.0603808E-05 -9.3212145E-06 3.6861704E-06 -7.6515682E-07 2 2.1659175E+05 7.3942795E-05 -3.3481011E-05 1.3245112E-05 -2.7513575E-06 3 4.6302919E+04 2.6418345E-04 -1.1983938E-04 4.7401088E-05 -9.8299154E-06 4 1.2596959E+04 1.0312241E-03 -4.6951228E-04 1.8599069E-04 -3.8690132E-05 5 4.1230383E+03 4.1947325E-03 -1.9189800E-03 7.5996392E-04 -1.5746427E-04 6 1.5498180E+03 1.5967143E-02 -7.3773588E-03 2.9307814E-03 -6.1028139E-04 7 6.4419076E+02 5.2738922E-02 -2.4837160E-02 9.8872170E-03 -2.0491056E-03 8 2.8835997E+02 1.4205847E-01 -6.9418482E-02 2.7869606E-02 -5.8155014E-03 9 1.3613524E+02 2.8572364E-01 -1.4716520E-01 5.9570091E-02 -1.2353933E-02 10 6.6776927E+01 3.7490980E-01 -2.0285935E-01 8.3326327E-02 -1.7527412E-02 11 3.3504567E+01 2.4729878E-01 -6.0747482E-02 1.5827091E-02 -2.6767200E-03 12 1.6971418E+01 5.7442318E-02 3.1190666E-01 -1.6990345E-01 3.5992577E-02 13 8.7292632E+00 3.7154512E-03 5.2123921E-01 -3.2589436E-01 7.3888413E-02 14 4.5600571E+00 4.1232908E-06 2.6454666E-01 -9.9618326E-02 1.4257980E-02 15 2.3187644E+00 8.0755114E-05 3.5871140E-02 4.1861989E-01 -1.0711372E-01 16 1.1294787E+00 -1.2480454E-04 1.7509817E-03 5.3895915E-01 -1.6263099E-01 17 5.2547213E-01 2.2460364E-05 3.4172679E-04 2.3005456E-01 -3.0630452E-02 18 1.7068938E-01 -1.4119404E-05 2.9509962E-05 1.8587725E-02 3.1697353E-01 19 6.6643594E-02 6.7362919E-06 -1.0926931E-05 -2.6106114E-03 5.5602104E-01 20 2.6001400E-02 -2.1057790E-06 9.3802084E-07 1.0255344E-03 2.6882476E-01 3d 4d 1 2.4682677E+03 2.1924665E-04 -7.1143368E-05 2 6.9380867E+02 2.0460329E-03 -6.6235334E-04 3 2.6026103E+02 1.1953216E-02 -3.9033908E-03 4 1.1248845E+02 4.7828383E-02 -1.5679464E-02 5 5.2616976E+01 1.3738849E-01 -4.5895261E-02 6 2.5867569E+01 2.7474538E-01 -9.1095971E-02 7 1.2971122E+01 3.6915116E-01 -1.1733147E-01 8 6.5831842E+00 2.9058203E-01 -5.3017809E-02 9 3.2888878E+00 9.8943349E-02 1.6662730E-01 10 1.5876293E+00 9.6466011E-03 3.6999496E-01 11 7.2690652E-01 8.5477595E-04 3.9000641E-01 12 3.1242887E-01 6.2336763E-05 2.4876115E-01 13 1.2236687E-01 7.4575484E-05 6.9014079E-02 Pseudo-large component functions -------------------------------- 1s 2s 3s 4s 5s 1 8.1368610E+07 5.3375860E-07 -1.8090975E-07 7.8728303E-08 -3.2942612E-08 8.0338560E-09 2 2.0609264E+07 3.8180484E-06 -1.2938641E-06 5.6303815E-07 -2.3542684E-07 5.7300923E-08 3 6.5258024E+06 1.4729526E-05 -4.9933425E-06 2.1730704E-06 -9.0938325E-07 2.2183772E-07 4 2.2584558E+06 5.1626733E-05 -1.7500560E-05 7.6158347E-06 -3.1839944E-06 7.7462337E-07 5 8.3990485E+05 1.6291383E-04 -5.5263946E-05 2.4052844E-05 -1.0067151E-05 2.4567532E-06 6 3.2935379E+05 4.8525106E-04 -1.6467560E-04 7.1674172E-05 -2.9961952E-05 7.2865030E-06 7 1.3541393E+05 1.3594136E-03 -4.6220374E-04 2.0123524E-04 -8.4243724E-05 2.0567372E-05 8 5.8045072E+04 3.6173899E-03 -1.2330577E-03 5.3702361E-04 -2.2448164E-04 5.4566800E-05 9 2.5842071E+04 9.1323057E-03 -3.1330951E-03 1.3658872E-03 -5.7206743E-04 1.3974927E-04 10 1.1903426E+04 2.1856859E-02 -7.5835473E-03 3.3113149E-03 -1.3845381E-03 3.3635416E-04 11 5.6525803E+03 4.9105109E-02 -1.7448141E-02 7.6457362E-03 -3.2063881E-03 7.8404390E-04 12 2.7574841E+03 1.0148676E-01 -3.7667664E-02 1.6611099E-02 -6.9564549E-03 1.6887219E-03 13 1.3775440E+03 1.8482081E-01 -7.4638410E-02 3.3335948E-02 -1.4040363E-02 3.4404611E-03 14 7.0294769E+02 2.7411151E-01 -1.2855407E-01 5.8761998E-02 -2.4761386E-02 6.0024598E-03 15 3.6533891E+02 2.8636493E-01 -1.7165723E-01 8.1763902E-02 -3.4952181E-02 8.6298172E-03 16 1.9207083E+02 1.6585271E-01 -1.1002448E-01 5.4989103E-02 -2.3390366E-02 5.5366192E-03 17 9.9011342E+01 3.3713283E-02 1.7286853E-01 -1.0842561E-01 4.8036989E-02 -1.1420606E-02 18 5.3306775E+01 -5.0193528E-05 4.9759015E-01 -4.0144408E-01 1.9224892E-01 -4.8714223E-02 19 2.8766828E+01 7.8312250E-04 4.0677184E-01 -4.4223133E-01 2.1968550E-01 -5.3407392E-02 20 1.5206801E+01 -4.6004606E-04 1.0088531E-01 1.0628610E-01 -5.5136229E-02 1.0255593E-02 21 8.3019877E+00 2.1810990E-04 2.9095605E-03 7.1716445E-01 -5.9500768E-01 1.7051615E-01 22 4.5202998E+00 -1.4142319E-04 1.7516638E-03 4.5005456E-01 -5.5745514E-01 1.5078635E-01 23 2.2858074E+00 6.9723211E-05 -6.8102219E-04 5.6671366E-02 3.9107137E-01 -1.3098622E-01 24 1.1523329E+00 -2.8257219E-05 1.5172298E-04 8.7869284E-04 7.8564269E-01 -3.3985327E-01 25 5.4711869E-01 1.0002187E-05 -8.5771567E-05 9.9087155E-04 2.7978199E-01 -1.7754663E-01 26 1.4334351E-01 -2.9960277E-06 2.2619874E-05 -9.0103467E-05 8.5193976E-03 3.9138843E-01 27 6.3864096E-02 1.9335528E-06 -1.4282003E-05 4.0824354E-05 -1.0735794E-03 5.8938262E-01 28 2.7916540E-02 -5.9217518E-07 5.3383715E-06 -2.4286437E-05 8.7301261E-04 1.9712689E-01 2p 3p 4p 5p 1 1.4907153E+06 6.6267904E-07 -3.0020145E-07 1.1864226E-07 -2.4551656E-08 2 2.1659175E+05 9.0759793E-06 -4.1191943E-06 1.6316606E-06 -3.4000911E-07 3 4.6302919E+04 8.5634216E-05 -3.8886913E-05 1.5374705E-05 -3.1815509E-06 4 1.2596959E+04 6.0812914E-04 -2.7683944E-04 1.0969815E-04 -2.2845549E-05 5 4.1230383E+03 3.3155644E-03 -1.5145131E-03 5.9952831E-04 -1.2415066E-04 6 1.5498180E+03 1.4366595E-02 -6.6252345E-03 2.6312737E-03 -5.4802443E-04 7 6.4419076E+02 5.0260635E-02 -2.3621986E-02 9.3996990E-03 -1.9477366E-03 8 2.8835997E+02 1.3901659E-01 -6.7812501E-02 2.7216976E-02 -5.6794393E-03 9 1.3613524E+02 2.8308085E-01 -1.4560628E-01 5.8924381E-02 -1.2219181E-02 10 6.6776927E+01 3.7353355E-01 -2.0199993E-01 8.2971124E-02 -1.7453066E-02 11 3.3504567E+01 2.4657885E-01 -6.0744556E-02 1.5889509E-02 -2.6920569E-03 12 1.6971418E+01 5.6540738E-02 3.1174292E-01 -1.6970726E-01 3.5947861E-02 13 8.7292632E+00 2.8592797E-03 5.2136496E-01 -3.2583229E-01 7.3871091E-02 14 4.5600571E+00 -7.2914334E-04 2.6473548E-01 -9.9747672E-02 1.4291338E-02 15 2.3187644E+00 -6.0440281E-04 3.5931608E-02 4.1851778E-01 -1.0708505E-01 16 1.1294787E+00 -6.7177489E-04 1.7950792E-03 5.3891451E-01 -1.6261615E-01 17 5.2547213E-01 -5.9551321E-04 3.8333879E-04 2.2999862E-01 -3.0621586E-02 18 1.7068938E-01 -6.2463308E-04 7.4438941E-05 1.8518763E-02 3.1698152E-01 19 6.6643594E-02 -2.0683249E-04 3.1172132E-06 -2.6345317E-03 5.5602451E-01 20 2.6001400E-02 -5.2700021E-04 3.8965708E-05 9.6569724E-04 2.6883361E-01 3d 4d 1 2.4682677E+03 1.7631663E-04 -5.7235035E-05 2 6.9380867E+02 1.9074408E-03 -6.1723991E-04 3 2.6026103E+02 1.1610831E-02 -3.7908469E-03 4 1.1248845E+02 4.7234194E-02 -1.5480990E-02 5 5.2616976E+01 1.3662914E-01 -4.5634018E-02 6 2.5867569E+01 2.7409270E-01 -9.0871180E-02 7 1.2971122E+01 3.6876806E-01 -1.1720668E-01 8 6.5831842E+00 2.9044995E-01 -5.3016326E-02 9 3.2888878E+00 9.8854725E-02 1.6657642E-01 10 1.5876293E+00 9.5819900E-03 3.6996045E-01 11 7.2690652E-01 8.0941606E-04 3.8999147E-01 12 3.1242887E-01 4.0660829E-05 2.4875553E-01 13 1.2236687E-01 5.6489812E-05 6.9009341E-02 Foldy-Wouthuysen functions -------------------------- 1s 2s 3s 4s 5s 1 8.1368610E+07 4.5150756E-05 -1.5515212E-05 6.7618356E-06 -2.8323689E-06 6.9136314E-07 2 2.0609264E+07 1.1083460E-04 -3.8096101E-05 1.6582713E-05 -6.9317625E-06 1.6832014E-06 3 6.5258024E+06 2.3074553E-04 -7.9442876E-05 3.4654007E-05 -1.4528200E-05 3.5541426E-06 4 2.2584558E+06 4.5337369E-04 -1.5608415E-04 6.7952721E-05 -2.8384488E-05 6.8808355E-06 5 8.3990485E+05 8.7478006E-04 -3.0193225E-04 1.3186520E-04 -5.5306451E-05 1.3548107E-05 6 3.2935379E+05 1.6831974E-03 -5.8098388E-04 2.5322375E-04 -1.0573858E-04 2.5613342E-05 7 1.3541393E+05 3.2880548E-03 -1.1387789E-03 4.9807494E-04 -2.0892619E-04 5.1202265E-05 8 5.8045072E+04 6.5803338E-03 -2.2835221E-03 9.9705684E-04 -4.1643088E-04 1.0089098E-04 9 2.5842071E+04 1.3498772E-02 -4.7221047E-03 2.0683334E-03 -8.6763677E-04 2.1258493E-04 10 1.1903426E+04 2.7978715E-02 -9.9047821E-03 4.3381247E-03 -1.8138086E-03 4.3979184E-04 11 5.6525803E+03 5.7088489E-02 -2.0738370E-02 9.1252324E-03 -3.8305666E-03 9.3813031E-04 12 2.7574841E+03 1.1053929E-01 -4.1992819E-02 1.8576192E-02 -7.7798403E-03 1.8867649E-03 13 1.3775440E+03 1.9252729E-01 -7.9690311E-02 3.5726699E-02 -1.5062704E-02 3.6941307E-03 14 7.0294769E+02 2.7680687E-01 -1.3318054E-01 6.1094477E-02 -2.5756642E-02 6.2411915E-03 15 3.6533891E+02 2.8293989E-01 -1.7406780E-01 8.3182240E-02 -3.5585714E-02 8.7914648E-03 16 1.9207083E+02 1.6123973E-01 -1.0876556E-01 5.4463364E-02 -2.3165194E-02 5.4752912E-03 17 9.9011342E+01 3.2172647E-02 1.7601223E-01 -1.1075181E-01 4.9107490E-02 -1.1678406E-02 18 5.3306775E+01 -2.2697850E-04 4.9845139E-01 -4.0359257E-01 1.9339723E-01 -4.9012739E-02 19 2.8766828E+01 7.3495997E-04 4.0549634E-01 -4.4218753E-01 2.1973793E-01 -5.3414963E-02 20 1.5206801E+01 -4.6910941E-04 1.0029924E-01 1.0736111E-01 -5.5787331E-02 1.0414364E-02 21 8.3019877E+00 2.0989501E-04 2.8570040E-03 7.1738522E-01 -5.9562599E-01 1.7071506E-01 22 4.5202998E+00 -1.4301928E-04 1.7354246E-03 4.4967516E-01 -5.5730812E-01 1.5073799E-01 23 2.2858074E+00 6.7497902E-05 -6.7635964E-04 5.6598610E-02 3.9126687E-01 -1.3106013E-01 24 1.1523329E+00 -2.8611953E-05 1.4633392E-04 8.6991529E-04 7.8560188E-01 -3.3987046E-01 25 5.4711869E-01 9.7194872E-06 -8.3939502E-05 9.9128463E-04 2.7974190E-01 -1.7753545E-01 26 1.4334351E-01 -3.0539264E-06 2.0858750E-05 -9.0563067E-05 8.5175956E-03 3.9139537E-01 27 6.3864096E-02 1.9158924E-06 -1.2604628E-05 4.1082173E-05 -1.0747390E-03 5.8938034E-01 28 2.7916540E-02 -6.2600860E-07 4.4577341E-06 -2.4500758E-05 8.7339179E-04 1.9712589E-01 2p 3p 4p 5p 1 1.4907153E+06 2.1117460E-05 -9.4925580E-06 3.7464516E-06 -7.7484873E-07 2 2.1659175E+05 7.8528128E-05 -3.5436908E-05 1.4033083E-05 -2.9265219E-06 3 4.6302919E+04 2.8533826E-04 -1.2891302E-04 5.0906563E-05 -1.0520341E-05 4 1.2596959E+04 1.0965812E-03 -4.9839578E-04 1.9753605E-04 -4.1179543E-05 5 4.1230383E+03 4.3675142E-03 -1.9945451E-03 7.8940595E-04 -1.6336736E-04 6 1.5498180E+03 1.6389649E-02 -7.5676774E-03 3.0066647E-03 -6.2643037E-04 7 6.4419076E+02 5.3589593E-02 -2.5230780E-02 1.0042845E-02 -2.0807706E-03 8 2.8835997E+02 1.4336262E-01 -7.0067842E-02 2.8132516E-02 -5.8712213E-03 9 1.3613524E+02 2.8702038E-01 -1.4788723E-01 5.9866756E-02 -1.2414522E-02 10 6.6776927E+01 3.7550289E-01 -2.0328868E-01 8.3515706E-02 -1.7568936E-02 11 3.3504567E+01 2.4717122E-01 -6.0570264E-02 1.5741767E-02 -2.6566719E-03 12 1.6971418E+01 5.7324417E-02 3.1227515E-01 -1.7009131E-01 3.6031025E-02 13 8.7292632E+00 3.6948166E-03 5.2137420E-01 -3.2601385E-01 7.3918316E-02 14 4.5600571E+00 3.6386446E-06 2.6449284E-01 -9.9565341E-02 1.4242950E-02 15 2.3187644E+00 7.9265093E-05 3.5855441E-02 4.1868537E-01 -1.0712884E-01 16 1.1294787E+00 -1.2437855E-04 1.7479660E-03 5.3896702E-01 -1.6263605E-01 17 5.2547213E-01 2.2237329E-05 3.4195708E-04 2.3004869E-01 -3.0627449E-02 18 1.7068938E-01 -1.4065959E-05 2.9309606E-05 1.8586912E-02 3.1697605E-01 19 6.6643594E-02 6.7034881E-06 -1.0814480E-05 -2.6109458E-03 5.5602198E-01 20 2.6001400E-02 -2.0959554E-06 8.9530520E-07 1.0256424E-03 2.6882447E-01 3d 4d 1 2.4682677E+03 2.2697247E-04 -7.3654647E-05 2 6.9380867E+02 2.0782196E-03 -6.7263326E-04 3 2.6026103E+02 1.2057224E-02 -3.9372558E-03 4 1.1248845E+02 4.8051949E-02 -1.5752655E-02 5 5.2616976E+01 1.3772086E-01 -4.6008385E-02 6 2.5867569E+01 2.7505843E-01 -9.1201678E-02 7 1.2971122E+01 3.6931959E-01 -1.1738923E-01 8 6.5831842E+00 2.9060373E-01 -5.3012151E-02 9 3.2888878E+00 9.8927386E-02 1.6666962E-01 10 1.5876293E+00 9.6436556E-03 3.7001852E-01 11 7.2690652E-01 8.5449059E-04 3.9001285E-01 12 3.1242887E-01 6.2361854E-05 2.4876128E-01 13 1.2236687E-01 7.4559647E-05 6.9013728E-02 ** Cd 114 ** Large component functions ------------------------- 1s 2s 3s 4s 5s 1 7.8907192E+07 1.7426518E-05 -5.9376147E-06 2.5975599E-06 -1.1002819E-06 2.7218694E-07 2 2.0089938E+07 4.5646880E-05 -1.5580222E-05 6.8176184E-06 -2.8876252E-06 7.1421206E-07 3 6.4033095E+06 1.0537597E-04 -3.6044742E-05 1.5777443E-05 -6.6841947E-06 1.6537185E-06 4 2.2302602E+06 2.3086349E-04 -7.9207578E-05 3.4684977E-05 -1.4691993E-05 3.6335241E-06 5 8.3424865E+05 5.0567850E-04 -1.7417078E-04 7.6312123E-05 -3.2339291E-05 8.0024076E-06 6 3.2876771E+05 1.1100662E-03 -3.8401912E-04 1.6835625E-04 -7.1320847E-05 1.7635971E-05 7 1.3576023E+05 2.4576578E-03 -8.5481990E-04 3.7505224E-04 -1.5900505E-04 3.9356885E-05 8 5.8394124E+04 5.4647533E-03 -1.9120048E-03 8.3956428E-04 -3.5571539E-04 8.7940732E-05 9 2.6063215E+04 1.2102859E-02 -4.2721186E-03 1.8783365E-03 -7.9681906E-04 1.9730343E-04 10 1.2027159E+04 2.6354066E-02 -9.4247197E-03 4.1514158E-03 -1.7596177E-03 4.3490773E-04 11 5.7201283E+03 5.5336910E-02 -2.0286128E-02 8.9685314E-03 -3.8097573E-03 9.4390672E-04 12 2.7954193E+03 1.0882336E-01 -4.1701538E-02 1.8556055E-02 -7.8785536E-03 1.9469354E-03 13 1.3997745E+03 1.9080684E-01 -7.9613000E-02 3.5883422E-02 -1.5308738E-02 3.7979700E-03 14 7.1636197E+02 2.7422794E-01 -1.3296965E-01 6.1351127E-02 -2.6219472E-02 6.4797703E-03 15 3.7355733E+02 2.7835472E-01 -1.7207423E-01 8.2715914E-02 -3.5807556E-02 8.9246552E-03 16 1.9717265E+02 1.5672102E-01 -1.0285993E-01 5.1601966E-02 -2.2282930E-02 5.4559347E-03 17 1.0217552E+02 3.1026013E-02 1.8385175E-01 -1.1728229E-01 5.3012693E-02 -1.3094193E-02 18 5.5208655E+01 7.9320880E-06 4.9764973E-01 -4.0859038E-01 1.9854393E-01 -5.0599562E-02 19 2.9911719E+01 6.8785198E-04 3.9852737E-01 -4.3736371E-01 2.2153447E-01 -5.5782865E-02 20 1.5878244E+01 -4.1239143E-04 9.7857994E-02 1.1581515E-01 -6.3072381E-02 1.4407574E-02 21 8.7515437E+00 1.9511845E-04 2.6637994E-03 7.1556425E-01 -6.0816626E-01 1.7443569E-01 22 4.8082598E+00 -1.3197886E-04 1.7863208E-03 4.4479232E-01 -5.6073566E-01 1.5983108E-01 23 2.4971446E+00 6.7049502E-05 -7.1451955E-04 5.9368421E-02 3.7553297E-01 -1.3582456E-01 24 1.2724674E+00 -2.7156852E-05 1.5719607E-04 1.7480635E-03 7.8574067E-01 -3.3311346E-01 25 6.1883555E-01 1.0161674E-05 -9.2326953E-05 9.2570064E-04 3.0328047E-01 -2.1297193E-01 26 1.8251647E-01 -3.0471833E-06 2.2742604E-05 -4.4420303E-05 1.0581072E-02 3.2251047E-01 27 7.9907210E-02 1.7660780E-06 -1.2719181E-05 2.3627325E-05 -2.5915847E-03 6.1772857E-01 28 3.4389546E-02 -5.3916499E-07 4.2325417E-06 -1.3633331E-05 6.0957732E-04 2.5454478E-01 2p 3p 4p 5p 1 1.6914084E+06 2.0287345E-05 -9.2379731E-06 3.7099976E-06 -6.8146121E-07 2 2.4598000E+05 7.2268954E-05 -3.2936864E-05 1.3232625E-05 -2.4320052E-06 3 5.2403771E+04 2.5388498E-04 -1.1590499E-04 4.6554422E-05 -8.5448581E-06 4 1.4158919E+04 9.7129762E-04 -4.4512705E-04 1.7908997E-04 -3.2953830E-05 5 4.5972786E+03 3.9101039E-03 -1.8000209E-03 7.2383924E-04 -1.3276371E-04 6 1.7160114E+03 1.4889322E-02 -6.9223898E-03 2.7931595E-03 -5.1443255E-04 7 7.0936066E+02 4.9542953E-02 -2.3453339E-02 9.4787933E-03 -1.7390325E-03 8 3.1619434E+02 1.3523539E-01 -6.6387296E-02 2.7067501E-02 -4.9946694E-03 9 1.4883259E+02 2.7746254E-01 -1.4338292E-01 5.8910657E-02 -1.0818022E-02 10 7.2842658E+01 3.7517776E-01 -2.0454090E-01 8.5421459E-02 -1.5870235E-02 11 3.6508987E+01 2.5927088E-01 -7.5716142E-02 2.3044409E-02 -3.7892147E-03 12 1.8434358E+01 6.4424848E-02 2.9725778E-01 -1.6540970E-01 3.1091566E-02 13 9.4658197E+00 3.8837911E-03 5.2658463E-01 -3.3468906E-01 6.6749988E-02 14 4.9404284E+00 2.2475171E-04 2.7588383E-01 -1.1089548E-01 1.5564657E-02 15 2.5055220E+00 -4.5510059E-05 3.8485301E-02 4.2297216E-01 -9.5715792E-02 16 1.2163195E+00 -7.2899724E-05 1.7769518E-03 5.4829980E-01 -1.4285388E-01 17 5.6312073E-01 9.0491762E-07 3.5868074E-04 2.2256513E-01 -3.8353084E-02 18 1.8005957E-01 -6.3426967E-06 8.3902080E-06 1.5608207E-02 2.8233399E-01 19 6.9551502E-02 2.9125422E-06 -4.8529967E-06 -2.1109246E-03 5.5844346E-01 20 2.6857592E-02 -9.0568482E-07 -2.2015602E-07 7.6554567E-04 3.0283384E-01 3d 4d 1 2.8465238E+03 1.8666960E-04 -6.3197112E-05 2 7.9522469E+02 1.7400508E-03 -5.8838096E-04 3 2.9735823E+02 1.0288628E-02 -3.5053397E-03 4 1.2844138E+02 4.2045055E-02 -1.4390526E-02 5 6.0130091E+01 1.2404149E-01 -4.3206532E-02 6 2.9646796E+01 2.5783644E-01 -8.9673799E-02 7 1.4944958E+01 3.6304638E-01 -1.2149376E-01 8 7.6408180E+00 3.0811941E-01 -7.0768638E-02 9 3.8722253E+00 1.1852408E-01 1.4092041E-01 10 1.9026631E+00 1.4297208E-02 3.6066328E-01 11 8.9129975E-01 7.0885091E-04 3.9897281E-01 12 3.9458576E-01 -3.9805357E-05 2.5891496E-01 13 1.5914603E-01 2.0625737E-05 7.3937836E-02 Pseudo-large component functions -------------------------------- 1s 2s 3s 4s 5s 1 7.8907192E+07 5.8836910E-07 -2.0019446E-07 8.7563751E-08 -3.7096554E-08 9.1797448E-09 2 2.0089938E+07 4.1850103E-06 -1.4237478E-06 6.2271173E-07 -2.6367934E-07 6.5197746E-08 3 6.4033095E+06 1.5980154E-05 -5.4384300E-06 2.3788119E-06 -1.0078698E-06 2.4943225E-07 4 2.2302602E+06 5.5544047E-05 -1.8902256E-05 8.2677172E-06 -3.5004941E-06 8.6538542E-07 5 8.3424865E+05 1.7389134E-04 -5.9219737E-05 2.5905823E-05 -1.0977249E-05 2.7171310E-06 6 3.2876771E+05 5.1444393E-04 -1.7527690E-04 7.6677643E-05 -3.2462555E-05 8.0240928E-06 7 1.3576023E+05 1.4324707E-03 -4.8900578E-04 2.1399217E-04 -9.0692457E-05 2.2452593E-05 8 5.8394124E+04 3.7939309E-03 -1.2986018E-03 5.6847280E-04 -2.4067341E-04 5.9479496E-05 9 2.6063215E+04 9.5408294E-03 -3.2874353E-03 1.4405720E-03 -6.1078501E-04 1.5125166E-04 10 1.2027159E+04 2.2748766E-02 -7.9301725E-03 3.4807962E-03 -1.4741945E-03 3.6426394E-04 11 5.7201283E+03 5.0860889E-02 -1.8168500E-02 8.0039862E-03 -3.3979139E-03 8.4186895E-04 12 2.7954193E+03 1.0436875E-01 -3.8987651E-02 1.7289062E-02 -7.3352381E-03 1.8123108E-03 13 1.3997745E+03 1.8817696E-01 -7.6617295E-02 3.4422954E-02 -1.4677072E-02 3.6411039E-03 14 7.1636197E+02 2.7534146E-01 -1.3047484E-01 6.0029323E-02 -2.5639626E-02 6.3356253E-03 15 3.7355733E+02 2.8254337E-01 -1.7110281E-01 8.2072486E-02 -3.5514958E-02 8.8512676E-03 16 1.9717265E+02 1.6003696E-01 -1.0385664E-01 5.2146513E-02 -2.2524307E-02 5.5163282E-03 17 1.0217552E+02 3.1773031E-02 1.8231717E-01 -1.1576719E-01 5.2275516E-02 -1.2907996E-02 18 5.5208655E+01 3.9891014E-07 4.9799526E-01 -4.0754748E-01 1.9793438E-01 -5.0440785E-02 19 2.9911719E+01 7.0380896E-04 3.9961049E-01 -4.3753938E-01 2.2157955E-01 -5.5793127E-02 20 1.5878244E+01 -4.2202794E-04 9.8213180E-02 1.1524090E-01 -6.2624992E-02 1.4286668E-02 21 8.7515437E+00 2.0043536E-04 2.6497252E-03 7.1568487E-01 -6.0787229E-01 1.7433513E-01 22 4.8082598E+00 -1.3494388E-04 1.8071578E-03 4.4507688E-01 -5.6085245E-01 1.5986744E-01 23 2.4971446E+00 6.8491751E-05 -7.2785621E-04 5.9410981E-02 3.7546074E-01 -1.3578356E-01 24 1.2724674E+00 -2.7712885E-05 1.6501603E-04 1.7475001E-03 7.8579728E-01 -3.3310722E-01 25 6.1883555E-01 1.0325663E-05 -9.6157374E-05 9.2664751E-04 3.0331084E-01 -2.1297699E-01 26 1.8251647E-01 -3.0689246E-06 2.4879501E-05 -4.4791927E-05 1.0582476E-02 3.2250671E-01 27 7.9907210E-02 1.7587606E-06 -1.4658412E-05 2.3961104E-05 -2.5921733E-03 6.1773134E-01 28 3.4389546E-02 -5.2579989E-07 5.1876562E-06 -1.3795115E-05 6.0979540E-04 2.5454553E-01 2p 3p 4p 5p 1 1.6914084E+06 6.0869429E-07 -2.7749996E-07 1.1135269E-07 -2.0401640E-08 2 2.4598000E+05 8.1965607E-06 -3.7453300E-06 1.5070191E-06 -2.7771647E-07 3 5.2403771E+04 7.6894494E-05 -3.5142694E-05 1.4107372E-05 -2.5845409E-06 4 1.4158919E+04 5.4914866E-04 -2.5168168E-04 1.0130275E-04 -1.8659396E-05 5 4.5972786E+03 3.0261349E-03 -1.3909827E-03 5.5908501E-04 -1.0249149E-04 6 1.7160114E+03 1.3265895E-02 -6.1556500E-03 2.4831291E-03 -4.5741359E-04 7 7.0936066E+02 4.6999438E-02 -2.2201820E-02 8.9690648E-03 -1.6452499E-03 8 3.1619434E+02 1.3205974E-01 -6.4707553E-02 2.6374511E-02 -4.8668595E-03 9 1.4883259E+02 2.7463486E-01 -1.4171515E-01 5.8209499E-02 -1.0688553E-02 10 7.2842658E+01 3.7366144E-01 -2.0357889E-01 8.5015680E-02 -1.5795093E-02 11 3.6508987E+01 2.5851360E-01 -7.5684050E-02 2.3096329E-02 -3.8007726E-03 12 1.8434358E+01 6.3484593E-02 2.9706992E-01 -1.6519056E-01 3.1047482E-02 13 9.4658197E+00 2.9801612E-03 5.2670841E-01 -3.3461265E-01 6.6731638E-02 14 4.9404284E+00 -5.5184438E-04 2.7608872E-01 -1.1103534E-01 1.5596214E-02 15 2.5055220E+00 -7.7267978E-04 3.8550472E-02 4.2285944E-01 -9.5688065E-02 16 1.2163195E+00 -6.5113479E-04 1.8227658E-03 5.4825255E-01 -1.4283963E-01 17 5.6312073E-01 -6.5812595E-04 4.0244320E-04 2.2250359E-01 -3.8343995E-02 18 1.8005957E-01 -6.5475077E-04 5.5286619E-05 1.5532940E-02 2.8234157E-01 19 6.9551502E-02 -2.2565787E-04 9.9907482E-06 -2.1372461E-03 5.5844662E-01 20 2.6857592E-02 -5.4982988E-04 3.8907033E-05 7.0132805E-04 3.0284220E-01 3d 4d 1 2.8465238E+03 1.4623615E-04 -4.9522707E-05 2 7.9522469E+02 1.6072157E-03 -5.4324963E-04 3 2.9735823E+02 9.9545149E-03 -3.3907354E-03 4 1.2844138E+02 4.1447377E-02 -1.4182353E-02 5 6.0130091E+01 1.2324973E-01 -4.2922482E-02 6 2.9646796E+01 2.5712194E-01 -8.9415592E-02 7 1.4944958E+01 3.6260470E-01 -1.2134127E-01 8 7.6408180E+00 3.0796106E-01 -7.0754519E-02 9 3.8722253E+00 1.1843028E-01 1.4086372E-01 10 1.9026631E+00 1.4224668E-02 3.6062163E-01 11 8.9129975E-01 6.5717802E-04 3.9895440E-01 12 3.9458576E-01 -6.5122303E-05 2.5890868E-01 13 1.5914603E-01 -1.4542095E-06 7.3931758E-02 Foldy-Wouthuysen functions -------------------------- 1s 2s 3s 4s 5s 1 7.8907192E+07 4.9824466E-05 -1.7191123E-05 7.5305133E-06 -3.1935679E-06 7.9054508E-07 2 2.0089938E+07 1.2160316E-04 -4.1973408E-05 1.8364879E-05 -7.7751978E-06 1.9203952E-06 3 6.4033095E+06 2.5153493E-04 -8.6957194E-05 3.8125313E-05 -1.6179931E-05 4.0092418E-06 4 2.2302602E+06 4.9119530E-04 -1.6984034E-04 7.4323888E-05 -3.1447635E-05 7.7616845E-06 5 8.3424865E+05 9.4251728E-04 -3.2671043E-04 1.4341564E-04 -6.0885802E-05 1.5096569E-05 6 3.2876771E+05 1.8030996E-03 -6.2526101E-04 2.7393437E-04 -1.1587540E-04 2.8591864E-05 7 1.3576023E+05 3.5009219E-03 -1.2182227E-03 5.3556990E-04 -2.2739384E-04 5.6394214E-05 8 5.8394124E+04 6.9638619E-03 -2.4290254E-03 1.0661546E-03 -4.5109912E-04 1.1132634E-04 9 2.6063215E+04 1.4199008E-02 -4.9934972E-03 2.1987646E-03 -9.3361858E-04 2.3153520E-04 10 1.2027159E+04 2.9250916E-02 -1.0415489E-02 4.5864091E-03 -1.9426555E-03 4.7966112E-04 11 5.7201283E+03 5.9276825E-02 -2.1671491E-02 9.5884805E-03 -4.0744908E-03 1.0102691E-03 12 2.7954193E+03 1.1379673E-01 -4.3557489E-02 1.9378962E-02 -8.2230303E-03 2.0308268E-03 13 1.3997745E+03 1.9603653E-01 -8.1898779E-02 3.6941163E-02 -1.5767092E-02 3.9134818E-03 14 7.1636197E+02 2.7787505E-01 -1.3523665E-01 6.2452093E-02 -2.6688876E-02 6.5941254E-03 15 3.7355733E+02 2.7883988E-01 -1.7348584E-01 8.3499195E-02 -3.6160451E-02 9.0152925E-03 16 1.9717265E+02 1.5531950E-01 -1.0243500E-01 5.1523177E-02 -2.2254722E-02 5.4466387E-03 17 1.0217552E+02 3.0235958E-02 1.8558993E-01 -1.1824559E-01 5.3439250E-02 -1.3197806E-02 18 5.5208655E+01 -1.7987982E-04 4.9881695E-01 -4.0977078E-01 1.9914226E-01 -5.0754899E-02 19 2.9911719E+01 6.5553525E-04 3.9827798E-01 -4.3745407E-01 2.2161919E-01 -5.5803126E-02 20 1.5878244E+01 -4.3244010E-04 9.7608534E-02 1.1637823E-01 -6.3336186E-02 1.4469608E-02 21 8.7515437E+00 1.9251164E-04 2.5959492E-03 7.1591085E-01 -6.0853517E-01 1.7454791E-01 22 4.8082598E+00 -1.3700748E-04 1.7890756E-03 4.4467394E-01 -5.6069153E-01 1.5981811E-01 23 2.4971446E+00 6.6298286E-05 -7.2191806E-04 5.9331071E-02 3.7567485E-01 -1.3586900E-01 24 1.2724674E+00 -2.8224052E-05 1.5847560E-04 1.7376605E-03 7.8575969E-01 -3.3312664E-01 25 6.1883555E-01 1.0062024E-05 -9.3685033E-05 9.2659262E-04 3.0326381E-01 -2.1296628E-01 26 1.8251647E-01 -3.1575233E-06 2.2807109E-05 -4.5176510E-05 1.0579791E-02 3.2251514E-01 27 7.9907210E-02 1.7517783E-06 -1.2882077E-05 2.4105702E-05 -2.5935087E-03 6.1772959E-01 28 3.4389546E-02 -5.6807625E-07 4.2683469E-06 -1.3980969E-05 6.1031568E-04 2.5454397E-01 2p 3p 4p 5p 1 1.6914084E+06 2.0707360E-05 -9.3669631E-06 3.7537128E-06 -6.8740256E-07 2 2.4598000E+05 7.6540371E-05 -3.4764267E-05 1.3982811E-05 -2.5782898E-06 3 5.2403771E+04 2.7459839E-04 -1.2483500E-04 5.0051141E-05 -9.1596034E-06 4 1.4158919E+04 1.0367134E-03 -4.7428725E-04 1.9094303E-04 -3.5199614E-05 5 4.5972786E+03 4.0828004E-03 -1.8760548E-03 7.5389365E-04 -1.3812874E-04 6 1.7160114E+03 1.5311847E-02 -7.1140077E-03 2.8708185E-03 -5.2899522E-04 7 7.0936066E+02 5.0402902E-02 -2.3852809E-02 9.6390262E-03 -1.7679832E-03 8 3.1619434E+02 1.3658070E-01 -6.7059010E-02 2.7343666E-02 -5.0462805E-03 9 1.4883259E+02 2.7884350E-01 -1.4414985E-01 5.9230113E-02 -1.0875995E-02 10 7.2842658E+01 3.7585484E-01 -2.0502647E-01 8.5638653E-02 -1.5911923E-02 11 3.6508987E+01 2.5915775E-01 -7.5555982E-02 2.2965498E-02 -3.7729364E-03 12 1.8434358E+01 6.4291887E-02 2.9765540E-01 -1.6561486E-01 3.1129050E-02 13 9.4658197E+00 3.8597508E-03 5.2674110E-01 -3.3482620E-01 6.6779719E-02 14 4.9404284E+00 2.2402095E-04 2.7582676E-01 -1.1083889E-01 1.5550850E-02 15 2.5055220E+00 -4.7033491E-05 3.8467497E-02 4.2304486E-01 -9.5730784E-02 16 1.2163195E+00 -7.2490656E-05 1.7736467E-03 5.4830835E-01 -1.4285840E-01 17 5.6312073E-01 6.8357269E-07 3.5891905E-04 2.2255848E-01 -3.8350697E-02 18 1.8005957E-01 -6.2933845E-06 8.1800558E-06 1.5607441E-02 2.8233645E-01 19 6.9551502E-02 2.8813558E-06 -4.7331255E-06 -2.1113056E-03 5.5844451E-01 20 2.6857592E-02 -8.9631194E-07 -2.6635742E-07 7.6567048E-04 3.0283356E-01 3d 4d 1 2.8465238E+03 1.9387807E-04 -6.5625014E-05 2 7.9522469E+02 1.7701443E-03 -5.9845751E-04 3 2.9735823E+02 1.0387512E-02 -3.5388383E-03 4 1.2844138E+02 4.2265685E-02 -1.4465981E-02 5 6.0130091E+01 1.2438240E-01 -4.3327177E-02 6 2.9646796E+01 2.5817879E-01 -8.9795462E-02 7 1.4944958E+01 3.6324582E-01 -1.2156470E-01 8 7.6408180E+00 3.0815634E-01 -7.0770766E-02 9 3.8722253E+00 1.1850580E-01 1.4096773E-01 10 1.9026631E+00 1.4292919E-02 3.6069290E-01 11 8.9129975E-01 7.0833829E-04 3.9898150E-01 12 3.9458576E-01 -3.9753412E-05 2.5891511E-01 13 1.5914603E-01 2.0598434E-05 7.3937349E-02 Exponents of 4d dipole polarization functions ============================================= f g Y 3.1145230E-02 6.6155300E-02 Zr 5.7960953E-02 1.0427250E-01 Nb 9.7277740E-02 1.7785210E-01 Mo 1.1938733E-01 2.3018890E-01 Tc 1.4773173E-01 2.8623211E-01 Ru 1.6487440E-01 3.3556911E-01 Rh 1.8895540E-01 3.9171072E-01 Pd 1.9509690E-01 4.4334194E-01 Ag 2.5284034E-01 5.4291933E-01 Cd 2.7989120E-01 5.9584470E-01 Exponents of valence correlating functions ========================================== 4d5s valence correlating functions ---------------------------------- f f g Y 1.9812897E-01 9.3435688E-02 1.9846590E-01 Zr 6.7395170E-01 1.7388286E-01 3.1281743E-01 Nb 1.0182086E+00 2.9183321E-01 5.3355632E-01 Mo 1.2237652E+00 3.5816202E-01 6.9056669E-01 Tc 1.4523453E+00 4.4319522E-01 8.5869632E-01 Ru 1.6405973E+00 4.9462320E-01 1.0067073E+00 Rh 1.8602850E+00 5.6686602E-01 1.1751321E+00 Pd 1.9798137E+00 5.8529066E-01 1.3300257E+00 Ag 2.3768045E+00 7.5852100E-01 1.6287581E+00 Cd 2.6206900E+00 8.3967350E-01 1.7875341E+00 4s4p correlating functions -------------------------- f Y 1.1153443E+00 Zr 1.2547095E+00 Nb 1.3806487E+00 Mo 1.5243168E+00 Tc 1.6875289E+00 Ru 1.8223546E+00 Rh 1.9776017E+00 Pd 2.1260101E+00 Ag 2.2681373E+00 Cd 2.4894129E+00 Exponents of 3d correlating functions ------------------------------------- f f g Y 1.8535852E+01 5.8303757E+00 1.1872538E+01 Zr 2.0188061E+01 6.4003739E+00 1.2956093E+01 Nb 2.1903075E+01 6.9939046E+00 1.4081923E+01 Mo 2.3673342E+01 7.6073068E+00 1.5247271E+01 Tc 2.5499986E+01 8.2409884E+00 1.6452698E+01 Ru 2.7392598E+01 8.8994343E+00 1.7701181E+01 Rh 2.9342165E+01 9.5782645E+00 1.8989927E+01 Pd 3.1373751E+01 1.0288843E+01 2.0331274E+01 Ag 3.3444597E+01 1.1011736E+01 2.1703274E+01 Cd 3.5578659E+01 1.1757637E+01 2.3118538E+01 Exponents of 2s2p correlating functions --------------------------------------- f Y 8.6592952E+01 Zr 9.1981814E+01 Nb 9.6864038E+01 Mo 1.0266808E+02 Tc 1.0925144E+02 Ru 1.1482787E+02 Rh 1.2118694E+02 Pd 1.2691163E+02 Ag 1.3446847E+02 Cd 1.4176651E+02