5d-Block Double-Zeta Basis Set Archive ====================================== Date: 04 Jun 2010 When publishing work that uses these basis sets, please use the following citation: K.G. Dyall, Theor. Chem. Acc. (2004) 112, 403; K. G. Dyall and A. S. P. Gomes, Theor. Chem. Acc. (2010) 125:97. Available from the Dirac web site, http://dirac.chem.sdu.dk. This archive contains the exponents and the SCF spinor or orbital coefficients, given with respect to normalized (spherical or 2-spinor) Gaussian functions, for the double-zeta basis sets described in the above articles. The primitive basis set is a 24s 19p 12d 8f set, including functions for the 6p. This set supersedes the earlier 22s 19p 12d 8f set. In the current set the s set has been augmented and reoptimized, the d set has been reoptimized on the configuration average of the d^n s^2 and d^n+1 s^1 configurations, and the p and f sets also reoptimized. NOTE: Functions are counted from the function with the smallest exponent to the largest. The SCF exponent sets were generated as follows: * Optimization of the s, p, d, and f sets separately, on the total energy of the configuration average of the d^n s^2 and d^n+1 s^1 configurations * Addition of 2 exponents for the 6p, optimized with reoptimization of the exponents for the 3p-5p outer antinodes on the total energy of the d^n s^2 configuration * Addition of the correlating f exponent to the f set with reoptimization of the other 7 f exponents. In all the following descriptions, this is the set referred to as the SCF exponent set. The correlating exponents were generated as follows * An f exponent for the 5d and 6s was optimized in MR-SDCI calculations on the ground configuration. * A g exponent for the 4f and was optimized in MR-DCI calculations on the ground configuration, with double excitations from the 4f shell into the g shell coupled to J=0. The exponents for 5d dipole polarization were generated as follows: * A polarizing f exponent was optimized on the polarizability of the 5d shell with 5d -> f excitations in the perturbing space. The contractions are taken from SCF calculations on the weighted average of the d^n s^2, d^n+1 s^1, and d^n p^2 configurations with weight ratio 45%:45%:10%, except for Hg, where the d^n s^2 and d^n p^2 configurations are used with weight ratio 90%:10%. The archive is set out as follows. 1. Exponents and SCF coefficients for Dirac-Hartree-Fock wave functions, in order of Z. The large component functions are given first, followed by the small component functions. Both components are labelled with the large component symmetry type, but the primitive functions for the small component are those obtained by restricted kinetic balance from the large component. The spin-orbit components have a "-" label for j=l-1/2 and a "+" label for j=l+1/2. 2. Exponents and SCF coefficients for spin-free modified Dirac-Hartree-Fock wave functions, in order of Z. The large component functions are given first, followed by the pseudo-large component functions, then the Foldy-Wouthuysen transformed large component functions. Note that all components have the same symmetry type. 3. Exponents of valence correlating and dipole polarizing functions. 4. Exponents of core correlating functions. Basis set construction. ---------------------- Contracted basis sets can be constructed by adding primitive functions to the SCF set. These basis sets are described below. Note that the term "double zeta" applies to the s and p set, and the d set is triple zeta. This is a result of keeping a reasonable energy balance for the basis sets. NOTE: Functions are counted in increasing exponent size, from the smallest to the largest. The valence space is defined here as the 5d, 6s, and 6p orbitals. 1. Valence flexibility. To the SCF functions, add the following: 2nd s primitive from the SCF set 2nd p primitive from the SCF set 1st and 2nd d primitives from the SCF set 1st f primitive from the SCF set (correlating f function) 2. Valence + outer core. This set adds the outer-core correlation from the 5s and 5p shells. To set 1, add the following functions: 4th s primitive from the SCF set 3rd p primitive from the SCF set 3rd d primitive from the SCF set If linear dependence is encountered in the d set, do not uncontract the 2nd primitive. 3. Valence + outer core + 4f. This set adds correlation from the 4f shell. To set 2, add the following functions: 4th d primitive from the SCF set 2nd f primitive from the SCF set Correlating g function for 4f correlation This choice reflects only 4f correlation with a change in angular momentum of 1 unit. If it is necessary to uncontract an s and p primitive, add the 5th s and p primitives to the set. 4. Dipole polarization of the 5d. To any of the above basis sets, add the polarizing f function. Dirac-Hartree-Fock basis sets ============================= ** Hf 180 ** Large component functions ------------------------- 1s+ 2s+ 3s+ 4s+ 5s+ 6s+ 1 5.8724362E+07 1.3534086E-04 -5.0911884E-05 2.4074227E-05 1.1755414E-05 4.6365209E-06 -1.2577156E-06 2 1.4174720E+07 3.5594305E-04 -1.3439344E-04 6.3601455E-05 3.1049360E-05 1.2247882E-05 -3.3224712E-06 3 4.2301412E+06 8.2139172E-04 -3.1148988E-04 1.4746307E-04 7.2039961E-05 2.8414388E-05 -7.7077688E-06 4 1.3766740E+06 1.7897052E-03 -6.8370363E-04 3.2420294E-04 1.5830651E-04 6.2455858E-05 -1.6942752E-05 5 4.8186640E+05 3.8745851E-03 -1.4932615E-03 7.0858085E-04 3.4647159E-04 1.3666508E-04 -3.7072260E-05 6 1.7839897E+05 8.3883966E-03 -3.2735364E-03 1.5578490E-03 7.6097010E-04 3.0030616E-04 -8.1469427E-05 7 6.9459976E+04 1.8260601E-02 -7.2267172E-03 3.4422362E-03 1.6857111E-03 6.6497801E-04 -1.8038452E-04 8 2.8270903E+04 3.9532849E-02 -1.5980983E-02 7.6514813E-03 3.7398414E-03 1.4765841E-03 -4.0061033E-04 9 1.1977089E+04 8.3117648E-02 -3.4623634E-02 1.6621063E-02 8.1633070E-03 3.2209500E-03 -8.7373903E-04 10 5.2603310E+03 1.6157152E-01 -7.1401955E-02 3.4732889E-02 1.7016126E-02 6.7259686E-03 -1.8251326E-03 11 2.3867192E+03 2.6637809E-01 -1.3062991E-01 6.4447566E-02 3.1936086E-02 1.2614178E-02 -3.4221874E-03 12 1.1151597E+03 3.1495396E-01 -1.8651407E-01 9.6032990E-02 4.7458133E-02 1.8833761E-02 -5.1137918E-03 13 5.3340834E+02 2.0091505E-01 -1.1302978E-01 5.6850412E-02 2.9150142E-02 1.1474855E-02 -3.1103271E-03 14 2.4678923E+02 3.9119145E-02 2.6326570E-01 -1.9625515E-01 -1.0952759E-01 -4.4119178E-02 1.1998104E-02 15 1.2368928E+02 -2.2924554E-03 5.7007158E-01 -5.7218893E-01 -3.2882172E-01 -1.3556917E-01 3.7006687E-02 16 6.3286918E+01 1.5023664E-03 3.0472532E-01 -2.9418698E-01 -1.9992732E-01 -8.3657767E-02 2.2850981E-02 17 3.0620000E+01 -8.6534135E-04 3.1437565E-02 7.1795141E-01 7.4036122E-01 3.4342068E-01 -9.5175674E-02 18 1.5952213E+01 4.3917552E-04 -1.6117742E-03 6.2213010E-01 7.6990475E-01 3.8485174E-01 -1.0796734E-01 19 7.0553938E+00 -1.9223775E-04 3.9290046E-04 6.9372170E-02 -7.6507918E-01 -5.4785950E-01 1.6078951E-01 20 3.4448123E+00 8.6803175E-05 -2.5613600E-04 -4.6658257E-03 -7.6064130E-01 -7.2440380E-01 2.2748737E-01 21 1.0698259E+00 -2.8582545E-05 7.5837080E-05 1.4106820E-03 -4.6284736E-02 7.4048959E-01 -2.9739690E-01 22 4.7693821E-01 1.2924584E-05 -2.9883461E-05 -6.5877263E-04 8.8337593E-03 6.3024306E-01 -4.1405739E-01 23 9.1539500E-02 -3.3777954E-06 8.2088049E-06 1.5729939E-04 -1.8458811E-03 2.4444314E-02 6.2981234E-01 24 3.5867710E-02 1.4816123E-06 -3.6568774E-06 -6.7882476E-05 7.9583601E-04 -4.9868689E-03 5.6336084E-01 2p- 3p- 4p- 5p- 6p- 1 4.0497329E+06 2.5489425E-04 -1.2732229E-04 6.1400962E-05 -2.2149382E-05 5.1265517E-06 2 5.9716659E+05 7.8007811E-04 -3.8980170E-04 1.8799620E-04 -6.7829072E-05 1.5697879E-05 3 1.2335435E+05 2.1287050E-03 -1.0653073E-03 5.1396748E-04 -1.8537138E-04 4.2911535E-05 4 3.1311570E+04 5.6019507E-03 -2.8121095E-03 1.3576426E-03 -4.9023023E-04 1.1342206E-04 5 9.3784042E+03 1.5223510E-02 -7.7099246E-03 3.7300035E-03 -1.3446767E-03 3.1146812E-04 6 3.2319646E+03 4.3008971E-02 -2.2082155E-02 1.0715976E-02 -3.8790065E-03 8.9688558E-04 7 1.2468028E+03 1.1649911E-01 -6.1723484E-02 3.0176570E-02 -1.0884244E-02 2.5239272E-03 8 5.2417826E+02 2.6065438E-01 -1.4430538E-01 7.1293010E-02 -2.5964765E-02 5.9981740E-03 9 2.3443343E+02 3.9531397E-01 -2.3049616E-01 1.1545255E-01 -4.1612275E-02 9.6835349E-03 10 1.0943467E+02 2.9719799E-01 -9.1189471E-02 3.1318747E-02 -1.1256370E-02 2.4544235E-03 11 5.1596459E+01 6.7826005E-02 3.9752559E-01 -2.9733407E-01 1.1999468E-01 -2.7683814E-02 12 2.5499633E+01 8.2346098E-04 5.6203199E-01 -4.4483791E-01 1.7052571E-01 -4.0630618E-02 13 1.2442323E+01 4.8976258E-04 1.6730293E-01 2.3200070E-01 -1.2568455E-01 3.2221443E-02 14 6.0336878E+00 -2.6440602E-04 4.7953820E-03 7.0542688E-01 -4.2923597E-01 1.0088359E-01 15 2.8538346E+00 5.5534593E-05 1.7912497E-03 2.8266773E-01 -3.3002988E-02 1.0691049E-02 16 1.0816732E+00 -1.9620267E-05 -4.3225267E-04 1.2990246E-02 6.7863749E-01 -2.1770781E-01 17 4.2611713E-01 7.3293523E-06 1.5162333E-04 -3.9330566E-04 4.4740475E-01 -1.2933543E-01 18 9.4113870E-02 -1.8632702E-06 -4.2295017E-05 6.9206459E-05 2.7590353E-02 5.8813731E-01 19 3.1478343E-02 7.3426878E-07 1.6703035E-05 -3.1126585E-05 -4.8490371E-03 5.3768318E-01 2p+ 3p+ 4p+ 5p+ 6p+ 1 4.0497329E+06 1.8188132E-06 -9.3387234E-07 4.5106214E-07 -1.5726553E-07 3.6984120E-08 2 5.9716659E+05 1.7531755E-05 -8.9879417E-06 4.3332524E-06 -1.5213681E-06 3.5711952E-07 3 1.2335435E+05 1.3434508E-04 -6.9290460E-05 3.3499410E-05 -1.1686082E-05 2.7480259E-06 4 3.1311570E+04 8.8588839E-04 -4.5709126E-04 2.2072388E-04 -7.7473688E-05 1.8189038E-05 5 9.3784042E+03 4.9245172E-03 -2.5624634E-03 1.2412530E-03 -4.3339839E-04 1.0190583E-04 6 3.2319646E+03 2.2388683E-02 -1.1756095E-02 5.7003263E-03 -2.0019677E-03 4.7008228E-04 7 1.2468028E+03 8.0952483E-02 -4.3748528E-02 2.1380647E-02 -7.4774628E-03 1.7585561E-03 8 5.2417826E+02 2.1897280E-01 -1.2359742E-01 6.0962114E-02 -2.1503454E-02 5.0497967E-03 9 2.3443343E+02 3.8918416E-01 -2.3518988E-01 1.1829152E-01 -4.1486366E-02 9.7692108E-03 10 1.0943467E+02 3.5044219E-01 -1.6700674E-01 7.5920901E-02 -2.6888407E-02 6.2687990E-03 11 5.1596459E+01 1.0427597E-01 3.0523315E-01 -2.2979072E-01 8.9481531E-02 -2.1086963E-02 12 2.5499633E+01 1.8654018E-03 6.0514933E-01 -4.8977449E-01 1.8504632E-01 -4.4131530E-02 13 1.2442323E+01 1.4964085E-03 2.3185468E-01 8.8808659E-02 -5.5410913E-02 1.4390345E-02 14 6.0336878E+00 -8.4159401E-04 1.1031031E-02 7.0270940E-01 -3.9742383E-01 9.6246542E-02 15 2.8538346E+00 3.0190501E-04 2.5343382E-03 3.7287976E-01 -1.4799893E-01 3.7385553E-02 16 1.0816732E+00 -1.1020922E-04 -6.4835005E-04 2.6782134E-02 5.8482335E-01 -1.7678536E-01 17 4.2611713E-01 4.1088338E-05 2.3421354E-04 -1.7264479E-03 5.6206245E-01 -1.9404045E-01 18 9.4113870E-02 -1.1131665E-05 -6.5865301E-05 3.9779638E-04 5.6174422E-02 4.7218699E-01 19 3.1478343E-02 4.3835185E-06 2.6062265E-05 -1.6038606E-04 -1.1297130E-02 6.5478703E-01 3d- 4d- 5d- 1 3.2327768E+03 1.7652087E-03 -8.7067587E-04 1.7954359E-04 2 8.8711987E+02 1.2761837E-02 -6.3290896E-03 1.2960630E-03 3 3.2612272E+02 6.1396056E-02 -3.0909194E-02 6.3974932E-03 4 1.3752981E+02 1.9618429E-01 -1.0056760E-01 2.0670617E-02 5 6.2536976E+01 3.8509071E-01 -1.9579774E-01 4.0770443E-02 6 2.9611883E+01 3.9831431E-01 -1.4790339E-01 2.7365141E-02 7 1.4021582E+01 1.5193885E-01 2.4048641E-01 -6.0459839E-02 8 6.5021130E+00 1.1712997E-02 5.4976734E-01 -1.3890664E-01 9 2.8583293E+00 1.3196423E-03 3.4027571E-01 -2.8837212E-02 10 1.0146209E+00 -1.7571110E-04 4.2302970E-02 3.0446813E-01 11 3.3669317E-01 9.5289922E-05 -2.7974671E-03 5.3987762E-01 12 9.6159372E-02 -2.7798177E-05 9.2402484E-04 4.0722363E-01 3d+ 4d+ 5d+ 1 3.2327768E+03 9.8570457E-04 -4.8509866E-04 9.7681551E-05 2 8.8711987E+02 1.0029581E-02 -4.9596244E-03 9.8967363E-04 3 3.2612272E+02 5.4568772E-02 -2.7375962E-02 5.5207434E-03 4 1.3752981E+02 1.8510894E-01 -9.4689984E-02 1.8981931E-02 5 6.2536976E+01 3.7807959E-01 -1.9259078E-01 3.9063773E-02 6 2.9611883E+01 4.0800236E-01 -1.5925574E-01 2.9412272E-02 7 1.4021582E+01 1.6380180E-01 2.1700415E-01 -5.3629550E-02 8 6.5021130E+00 1.3628154E-02 5.4649450E-01 -1.3384166E-01 9 2.8583293E+00 1.4271076E-03 3.6120163E-01 -4.0595150E-02 10 1.0146209E+00 -1.7512472E-04 4.9050384E-02 2.8082175E-01 11 3.3669317E-01 1.0062589E-04 -3.3447575E-03 5.3658776E-01 12 9.6159372E-02 -2.9324333E-05 1.1250433E-03 4.3488947E-01 4f- 1 2.3344044E+02 4.7559435E-03 2 7.9161338E+01 3.4460447E-02 3 3.2390745E+01 1.2647803E-01 4 1.4387505E+01 2.7825701E-01 5 6.4595828E+00 3.7603683E-01 6 2.8070528E+00 3.4114149E-01 7 1.1279960E+00 1.9818046E-01 8 3.8547549E-01 4.9906929E-02 4f+ 1 2.3344044E+02 4.2917906E-03 2 7.9161338E+01 3.2730232E-02 3 3.2390745E+01 1.2270829E-01 4 1.4387505E+01 2.7268017E-01 5 6.4595828E+00 3.7374626E-01 6 2.8070528E+00 3.4463236E-01 7 1.1279960E+00 2.0574947E-01 8 3.8547549E-01 5.5576788E-02 Small component functions ------------------------- 1s+ 2s+ 3s+ 4s+ 5s+ 6s+ 1 5.8724362E+07 -1.8520831E-04 6.9478977E-05 -3.2826849E-05 -1.6037497E-05 -6.3243156E-06 1.7154923E-06 2 1.4174720E+07 -6.5894180E-04 2.4737710E-04 -1.1700506E-04 -5.7076536E-05 -2.2516736E-05 6.1082256E-06 3 4.2301412E+06 -1.4484932E-03 5.4372805E-04 -2.5688989E-04 -1.2553123E-04 -4.9500454E-05 1.3427041E-05 4 1.3766740E+06 -2.9809028E-03 1.1207683E-03 -5.3034431E-04 -2.5863792E-04 -1.0204273E-04 2.7682150E-05 5 4.8186640E+05 -5.7178653E-03 2.1513772E-03 -1.0166216E-03 -4.9699112E-04 -1.9596504E-04 5.3154932E-05 6 1.7839897E+05 -1.0537636E-02 3.9813692E-03 -1.8859570E-03 -9.1957303E-04 -3.6285788E-04 9.8438562E-05 7 6.9459976E+04 -1.8563799E-02 7.0500280E-03 -3.3357850E-03 -1.6320873E-03 -6.4351966E-04 1.7455085E-04 8 2.8270903E+04 -3.1159125E-02 1.2006331E-02 -5.7084690E-03 -2.7840893E-03 -1.0989363E-03 2.9814262E-04 9 1.1977089E+04 -4.8957108E-02 1.9348221E-02 -9.2138935E-03 -4.5188077E-03 -1.7820700E-03 4.8338226E-04 10 5.2603310E+03 -6.9241052E-02 2.8984641E-02 -1.3991350E-02 -6.8401306E-03 -2.7027725E-03 7.3338255E-04 11 2.3867192E+03 -8.1639970E-02 3.7961081E-02 -1.8592011E-02 -9.1995900E-03 -3.6321684E-03 9.8533900E-04 12 1.1151597E+03 -6.8419630E-02 3.8572980E-02 -1.9746849E-02 -9.7449092E-03 -3.8661969E-03 1.0497198E-03 13 5.3340834E+02 -3.0794791E-02 1.6894000E-02 -8.5498803E-03 -4.3862078E-03 -1.7277409E-03 4.6836968E-04 14 2.4678923E+02 -4.1198619E-03 -2.5719501E-02 1.8972513E-02 1.0571144E-02 4.2558791E-03 -1.1572894E-03 15 1.2368928E+02 1.7288323E-04 -4.0229032E-02 4.0053995E-02 2.2982945E-02 9.4725283E-03 -2.5856208E-03 16 6.3286918E+01 -8.0829382E-05 -1.5437759E-02 1.4886011E-02 1.0120616E-02 4.2360171E-03 -1.1571352E-03 17 3.0620000E+01 3.2383235E-05 -1.1169709E-03 -2.5077454E-02 -2.5813012E-02 -1.1968884E-02 3.3169138E-03 18 1.5952213E+01 -1.1940643E-05 4.5018166E-05 -1.5740885E-02 -1.9453992E-02 -9.7238400E-03 2.7279018E-03 19 7.0553938E+00 3.4939976E-06 -8.4386375E-06 -1.1641902E-03 1.2840545E-02 9.1902498E-03 -2.6970123E-03 20 3.4448123E+00 -1.1060571E-06 3.8055114E-06 5.3625642E-05 8.9253646E-03 8.4976861E-03 -2.6685380E-03 21 1.0698259E+00 2.0593064E-07 -7.5770423E-07 -8.8344575E-06 3.0282842E-04 -4.8400079E-03 1.9437307E-03 22 4.7693821E-01 -6.3221313E-08 2.5045680E-07 2.6938000E-06 -3.8638043E-05 -2.7508958E-03 1.8071755E-03 23 9.1539500E-02 7.6474871E-09 -4.6077525E-08 -2.5363326E-07 3.5475028E-06 -4.6721558E-05 -1.2042372E-03 24 3.5867710E-02 -2.2405251E-09 1.8427681E-08 5.9256946E-08 -9.6052955E-07 5.9599142E-06 -6.7427156E-04 2p- 3p- 4p- 5p- 6p- 1 4.0497329E+06 -8.1746521E-05 4.0900766E-05 -1.9732275E-05 7.1129770E-06 -1.6470476E-06 2 5.9716659E+05 -2.8672601E-04 1.4357744E-04 -6.9275712E-05 2.5027856E-05 -5.7884725E-06 3 1.2335435E+05 -8.4519968E-04 4.2515631E-04 -2.0536978E-04 7.3977005E-05 -1.7139254E-05 4 3.1311570E+04 -2.3517197E-03 1.1861757E-03 -5.7325330E-04 2.0734287E-04 -4.7935058E-05 5 9.3784042E+03 -6.1036575E-03 3.1075515E-03 -1.5052454E-03 5.4216346E-04 -1.2566194E-04 6 3.2319646E+03 -1.4303597E-02 7.3644918E-03 -3.5758902E-03 1.2955133E-03 -2.9942775E-04 7 1.2468028E+03 -2.8786965E-02 1.5287545E-02 -7.4778882E-03 2.6962980E-03 -6.2539087E-04 8 5.2417826E+02 -4.5390220E-02 2.5193122E-02 -1.2452476E-02 4.5367620E-03 -1.0479093E-03 9 2.3443343E+02 -4.7674443E-02 2.7946659E-02 -1.4014877E-02 5.0516331E-03 -1.1757153E-03 10 1.0943467E+02 -2.4547575E-02 7.6234096E-03 -2.6396982E-03 9.5189346E-04 -2.0755846E-04 11 5.1596459E+01 -3.4621620E-03 -2.3287706E-02 1.7364584E-02 -7.0046259E-03 1.6159137E-03 12 2.5499633E+01 2.6152529E-04 -2.3190003E-02 1.8337502E-02 -7.0301467E-03 1.6750020E-03 13 1.2442323E+01 1.7922226E-04 -4.8295243E-03 -6.6414030E-03 3.5999468E-03 -9.2318248E-04 14 6.0336878E+00 1.0356821E-04 -9.9064852E-05 -1.4123855E-02 8.5953182E-03 -2.0201551E-03 15 2.8538346E+00 7.5544288E-05 -2.6763592E-05 -3.8853343E-03 4.5276654E-04 -1.4692266E-04 16 1.0816732E+00 3.7366093E-05 2.6386995E-06 -1.0432506E-04 -5.7593701E-03 1.8474510E-03 17 4.2611713E-01 2.3456389E-05 -1.4413094E-06 5.8191623E-06 -2.3835029E-03 6.8900251E-04 18 9.4113870E-02 1.0249706E-05 -1.7545893E-07 1.4574952E-06 -6.9322832E-05 -1.4719691E-03 19 3.1478343E-02 3.2718377E-06 -1.1258178E-07 5.6414861E-07 6.9320783E-06 -7.7828010E-04 2p+ 3p+ 4p+ 5p+ 6p+ 1 4.0497329E+06 -4.0586472E-06 2.0885426E-06 -1.0109069E-06 3.4981844E-07 -8.2433043E-08 2 5.9716659E+05 -3.2356748E-05 1.6495609E-05 -7.9349384E-06 2.7977459E-06 -6.5594198E-07 3 1.2335435E+05 -1.8723505E-04 9.6150576E-05 -4.6461490E-05 1.6168272E-05 -3.8042080E-06 4 3.1311570E+04 -8.5603060E-04 4.3827111E-04 -2.1121111E-04 7.4187375E-05 -1.7412013E-05 5 9.3784042E+03 -3.1423099E-03 1.6220995E-03 -7.8440741E-04 2.7364724E-04 -6.4349640E-05 6 3.2319646E+03 -9.3186512E-03 4.8514685E-03 -2.3477004E-03 8.2440512E-04 -1.9355855E-04 7 1.2468028E+03 -2.2175020E-02 1.1888598E-02 -5.8000272E-03 2.0274695E-03 -4.7682257E-04 8 5.2417826E+02 -4.0102936E-02 2.2474868E-02 -1.1067926E-02 3.9030983E-03 -9.1654646E-04 9 2.3443343E+02 -4.8432839E-02 2.9101187E-02 -1.4620767E-02 5.1264706E-03 -1.2071686E-03 10 1.0943467E+02 -3.0037848E-02 1.4300079E-02 -6.5121546E-03 2.3069482E-03 -5.3789893E-04 11 5.1596459E+01 -6.1548463E-03 -1.7808110E-02 1.3388794E-02 -5.2127547E-03 1.2283662E-03 12 2.5499633E+01 -7.8585262E-05 -2.4945696E-02 2.0167580E-02 -7.6188111E-03 1.8169828E-03 13 1.2442323E+01 -4.2708155E-05 -6.6840000E-03 -2.5431048E-03 1.5878494E-03 -4.1246100E-04 14 6.0336878E+00 1.6599060E-05 -2.2130632E-04 -1.4083283E-02 7.9627866E-03 -1.9283522E-03 15 2.8538346E+00 -4.0198971E-06 -3.5023414E-05 -5.1407660E-03 2.0403624E-03 -5.1541567E-04 16 1.0816732E+00 8.7844478E-07 5.5239256E-06 -2.2736257E-04 -4.9622171E-03 1.4999785E-03 17 4.2611713E-01 -1.9666897E-07 -1.2538433E-06 9.2104056E-06 -2.9935269E-03 1.0334290E-03 18 9.4113870E-02 2.1931597E-08 1.6615851E-07 -9.9906958E-07 -1.4059996E-04 -1.1818409E-03 19 3.1478343E-02 -3.9516266E-09 -3.8183152E-08 2.3344969E-07 1.6351657E-05 -9.4782270E-04 3d- 4d- 5d- 1 3.2327768E+03 -6.2422767E-04 3.0820840E-04 -6.3678720E-05 2 8.8711987E+02 -3.1830609E-03 1.5787421E-03 -3.2311899E-04 3 3.2612272E+02 -1.0123528E-02 5.0971256E-03 -1.0552211E-03 4 1.3752981E+02 -2.1721313E-02 1.1137670E-02 -2.2891152E-03 5 6.2536976E+01 -2.9115622E-02 1.4814256E-02 -3.0852102E-03 6 2.9611883E+01 -2.0825886E-02 7.7494233E-03 -1.4346073E-03 7 1.4021582E+01 -5.4522967E-03 -8.6760236E-03 2.1807832E-03 8 6.5021130E+00 -2.7142560E-04 -1.3524230E-02 3.4171539E-03 9 2.8583293E+00 -1.3768833E-05 -5.5507392E-03 4.7080919E-04 10 1.0146209E+00 4.2027341E-06 -4.1009491E-04 -2.9601883E-03 11 3.3669317E-01 1.0575322E-07 1.5971590E-05 -3.0239795E-03 12 9.6159372E-02 2.6288501E-07 -2.6690263E-06 -1.2189911E-03 3d+ 4d+ 5d+ 1 3.2327768E+03 -4.7582932E-04 2.3377533E-04 -4.7089881E-05 2 8.8711987E+02 -2.7359150E-03 1.3506167E-03 -2.6939485E-04 3 3.2612272E+02 -9.2993201E-03 4.6583990E-03 -9.3930181E-04 4 1.3752981E+02 -2.0770239E-02 1.0611485E-02 -2.1267905E-03 5 6.2536976E+01 -2.8782702E-02 1.4648327E-02 -2.9708550E-03 6 2.9611883E+01 -2.1433521E-02 8.3666940E-03 -1.5455723E-03 7 1.4021582E+01 -5.9287892E-03 -7.8323030E-03 1.9354714E-03 8 6.5021130E+00 -3.3559527E-04 -1.3450648E-02 3.2937502E-03 9 2.8583293E+00 -2.3438500E-05 -5.8957892E-03 6.6271681E-04 10 1.0146209E+00 1.7478236E-06 -4.7706784E-04 -2.7304851E-03 11 3.3669317E-01 -5.7884537E-07 1.8748630E-05 -3.0056569E-03 12 9.6159372E-02 9.1876725E-08 -3.3708825E-06 -1.3018441E-03 4f- 1 2.3344044E+02 -7.5310713E-04 2 7.9161338E+01 -3.3019769E-03 3 3.2390745E+01 -7.8288177E-03 4 1.4387505E+01 -1.1523469E-02 5 6.4595828E+00 -1.0449474E-02 6 2.8070528E+00 -6.2529653E-03 7 1.1279960E+00 -2.3031218E-03 8 3.8547549E-01 -3.3903040E-04 4f+ 1 2.3344044E+02 -7.0236365E-04 2 7.9161338E+01 -3.1639456E-03 3 3.2390745E+01 -7.6225702E-03 4 1.4387505E+01 -1.1311110E-02 5 6.4595828E+00 -1.0394403E-02 6 2.8070528E+00 -6.3198868E-03 7 1.1279960E+00 -2.3919046E-03 8 3.8547549E-01 -3.7771392E-04 ** Ta 181 ** Large component functions ------------------------- 1s+ 2s+ 3s+ 4s+ 5s+ 6s+ 1 5.9022427E+07 1.4331902E-04 -5.4153562E-05 2.5657513E-05 1.2568583E-05 5.0369167E-06 -1.3998719E-06 2 1.4333913E+07 3.7439202E-04 -1.4199446E-04 6.7331316E-05 3.2975833E-05 1.3216867E-05 -3.6732375E-06 3 4.3049975E+06 8.5765092E-04 -3.2671558E-04 1.5497831E-04 7.5953414E-05 3.0439465E-05 -8.4599367E-06 4 1.4086043E+06 1.8545390E-03 -7.1171979E-04 3.3816121E-04 1.6565509E-04 6.6405598E-05 -1.8455613E-05 5 4.9523899E+05 3.9847082E-03 -1.5429222E-03 7.3362700E-04 3.5986487E-04 1.4423012E-04 -4.0086533E-05 6 1.8397293E+05 8.5598553E-03 -3.3565932E-03 1.6006396E-03 7.8441889E-04 3.1453743E-04 -8.7418167E-05 7 7.1813900E+04 1.8492760E-02 -7.3557422E-03 3.5110410E-03 1.7249045E-03 6.9138298E-04 -1.9216865E-04 8 2.9282889E+04 3.9757522E-02 -1.6155035E-02 7.7511716E-03 3.8010733E-03 1.5249046E-03 -4.2381978E-04 9 1.2421670E+04 8.3106460E-02 -3.4798217E-02 1.6740626E-02 8.2482613E-03 3.3068364E-03 -9.1921489E-04 10 5.4600712E+03 1.6089839E-01 -7.1421415E-02 3.4813981E-02 1.7112727E-02 6.8730536E-03 -1.9103877E-03 11 2.4784888E+03 2.6486592E-01 -1.3026094E-01 6.4385736E-02 3.2004445E-02 1.2844613E-02 -3.5714825E-03 12 1.1582358E+03 3.1394029E-01 -1.8569032E-01 9.5733545E-02 4.7466916E-02 1.9140728E-02 -5.3217224E-03 13 5.5401499E+02 2.0195354E-01 -1.1313586E-01 5.6850736E-02 2.9198893E-02 1.1676579E-02 -3.2501171E-03 14 2.5674424E+02 4.0073014E-02 2.5973643E-01 -1.9423684E-01 -1.0877544E-01 -4.4534601E-02 1.2430224E-02 15 1.2874781E+02 -2.2587669E-03 5.6842697E-01 -5.7024893E-01 -3.2895372E-01 -1.3786968E-01 3.8522486E-02 16 6.5927305E+01 1.5177841E-03 3.0816985E-01 -2.9975781E-01 -2.0364182E-01 -8.6614119E-02 2.4348336E-02 17 3.1897992E+01 -8.7621056E-04 3.2509088E-02 7.1278988E-01 7.3763113E-01 3.4820242E-01 -9.9192319E-02 18 1.6634012E+01 4.4822851E-04 -1.7456100E-03 6.2690096E-01 7.7881028E-01 3.9654389E-01 -1.1383933E-01 19 7.3788907E+00 -1.9886791E-04 4.4835482E-04 7.1233016E-02 -7.5693591E-01 -5.5355545E-01 1.6650030E-01 20 3.6211558E+00 9.0955909E-05 -2.8122526E-04 -4.8809327E-03 -7.6940890E-01 -7.5001515E-01 2.4409672E-01 21 1.1456183E+00 -3.0468128E-05 8.5274643E-05 1.4767695E-03 -4.8098977E-02 7.5128647E-01 -3.1994994E-01 22 5.1525406E-01 1.3792390E-05 -3.3947206E-05 -6.9080844E-04 9.0408322E-03 6.3273505E-01 -4.1419987E-01 23 1.0245270E-01 -3.5553619E-06 9.1498980E-06 1.6237002E-04 -1.8556885E-03 2.5388132E-02 6.2139509E-01 24 3.9305199E-02 1.5102776E-06 -3.9550634E-06 -6.7665702E-05 7.7514772E-04 -4.7279042E-03 5.7749535E-01 2p- 3p- 4p- 5p- 6p- 1 4.4160912E+06 2.5681725E-04 -1.2858474E-04 6.2256463E-05 -2.2941908E-05 5.4204994E-06 2 6.5418532E+05 7.8331780E-04 -3.9233780E-04 1.8996932E-04 -7.0017284E-05 1.6541479E-05 3 1.3520798E+05 2.1255615E-03 -1.0661559E-03 5.1642556E-04 -1.9027429E-04 4.4963496E-05 4 3.4242298E+04 5.5472689E-03 -2.7907104E-03 1.3525465E-03 -4.9889004E-04 1.1782592E-04 5 1.0208162E+04 1.4908166E-02 -7.5645280E-03 3.6742499E-03 -1.3531916E-03 3.1997710E-04 6 3.4979130E+03 4.1715303E-02 -2.1451852E-02 1.0448216E-02 -3.8632158E-03 9.1176029E-04 7 1.3422513E+03 1.1275880E-01 -5.9783877E-02 2.9341992E-02 -1.0811894E-02 2.5596822E-03 8 5.6185991E+02 2.5426417E-01 -1.4074370E-01 6.9748568E-02 -2.5944876E-02 6.1173968E-03 9 2.5041060E+02 3.9318162E-01 -2.2942653E-01 1.1542941E-01 -4.2520434E-02 1.0104186E-02 10 1.1658027E+02 3.0588733E-01 -1.0310162E-01 3.8345580E-02 -1.4143562E-02 3.1761404E-03 11 5.4881478E+01 7.3691567E-02 3.8076350E-01 -2.8583827E-01 1.1799240E-01 -2.7769427E-02 12 2.7116673E+01 9.5045000E-04 5.6898287E-01 -4.5511640E-01 1.7904547E-01 -4.3639447E-02 13 1.3291556E+01 6.4646738E-04 1.7909234E-01 2.0439961E-01 -1.1540611E-01 3.0700318E-02 14 6.4414429E+00 -3.4429695E-04 6.3307923E-03 7.1022401E-01 -4.4303786E-01 1.0645501E-01 15 3.0564694E+00 8.9274404E-05 1.7108716E-03 2.9757207E-01 -4.8176530E-02 1.5135396E-02 16 1.1651775E+00 -3.1750399E-05 -4.1161458E-04 1.4305935E-02 6.8913515E-01 -2.3097391E-01 17 4.6212003E-01 1.2023640E-05 1.4055056E-04 -5.2709645E-04 4.4464693E-01 -1.2114805E-01 18 1.0266474E-01 -3.0367766E-06 -3.9480758E-05 9.8600628E-05 2.7171648E-02 5.9439534E-01 19 3.3603855E-02 1.1751126E-06 1.5248982E-05 -4.1477422E-05 -4.6495775E-03 5.3303458E-01 2p+ 3p+ 4p+ 5p+ 6p+ 1 4.4160912E+06 1.7430199E-06 -8.9772056E-07 4.3560194E-07 -1.5543026E-07 3.6871938E-08 2 6.5418532E+05 1.6558344E-05 -8.5158577E-06 4.1218320E-06 -1.4807435E-06 3.5043506E-07 3 1.3520798E+05 1.2549831E-04 -6.4926659E-05 3.1533311E-05 -1.1257955E-05 2.6703957E-06 4 3.4242298E+04 8.2299173E-04 -4.2599069E-04 2.0652999E-04 -7.4176207E-05 1.7558554E-05 5 1.0208162E+04 4.5837610E-03 -2.3922291E-03 1.1640176E-03 -4.1595140E-04 9.8651246E-05 6 3.4979130E+03 2.0990548E-02 -1.1051010E-02 5.3794792E-03 -1.9331468E-03 4.5768074E-04 7 1.3422513E+03 7.6740543E-02 -4.1538444E-02 2.0386633E-02 -7.2968433E-03 1.7309721E-03 8 5.6185991E+02 2.1095265E-01 -1.1913980E-01 5.8964237E-02 -2.1278943E-02 5.0383264E-03 9 2.5041060E+02 3.8427318E-01 -2.3229858E-01 1.1733522E-01 -4.2128473E-02 1.0008413E-02 10 1.1658027E+02 3.5951581E-01 -1.7870981E-01 8.2916663E-02 -3.0056502E-02 7.0631263E-03 11 5.4881478E+01 1.1326999E-01 2.8295535E-01 -2.1495010E-01 8.5823617E-02 -2.0378015E-02 12 2.7116673E+01 2.4044715E-03 6.0853741E-01 -4.9564479E-01 1.9225971E-01 -4.6341967E-02 13 1.3291556E+01 1.7496289E-03 2.4793149E-01 5.5744998E-02 -4.2037284E-02 1.1492701E-02 14 6.4414429E+00 -9.8029849E-04 1.4095786E-02 7.0020960E-01 -4.0604883E-01 9.9221165E-02 15 3.0564694E+00 3.6464994E-04 2.3618609E-03 3.9279840E-01 -1.6968809E-01 4.3750059E-02 16 1.1651775E+00 -1.3378610E-04 -5.9521274E-04 2.9651158E-02 5.9247430E-01 -1.8492788E-01 17 4.6212003E-01 5.0108714E-05 2.1029423E-04 -2.0039877E-03 5.6292588E-01 -1.8965001E-01 18 1.0266474E-01 -1.3298008E-05 -5.9650542E-05 4.6240635E-04 5.5151892E-02 4.7303094E-01 19 3.3603855E-02 5.1356102E-06 2.3090726E-05 -1.8107395E-04 -1.0750043E-02 6.5623924E-01 3d- 4d- 5d- 1 3.3975024E+03 1.7465791E-03 -8.6771779E-04 1.9807914E-04 2 9.2970424E+02 1.2553001E-02 -6.2721946E-03 1.4201668E-03 3 3.4126697E+02 6.0437299E-02 -3.0644226E-02 7.0230172E-03 4 1.4381749E+02 1.9392427E-01 -1.0015810E-01 2.2762008E-02 5 6.5402304E+01 3.8315802E-01 -1.9635444E-01 4.5308347E-02 6 3.0989569E+01 3.9981554E-01 -1.5107988E-01 3.0794524E-02 7 1.4701795E+01 1.5482816E-01 2.3666381E-01 -6.6035429E-02 8 6.8355392E+00 1.2356158E-02 5.5017066E-01 -1.5574936E-01 9 3.0251857E+00 1.3156848E-03 3.4189861E-01 -2.9871524E-02 10 1.0875543E+00 -1.9094120E-04 4.2459312E-02 3.3432923E-01 11 3.7659330E-01 1.0024351E-04 -2.9487723E-03 5.4245042E-01 12 1.1242152E-01 -3.0852800E-05 1.0029361E-03 3.6101512E-01 3d+ 4d+ 5d+ 1 3.3975024E+03 9.5644148E-04 -4.7417968E-04 1.0572422E-04 2 9.2970424E+02 9.7737180E-03 -4.8704609E-03 1.0740970E-03 3 3.4126697E+02 5.3467158E-02 -2.7020130E-02 6.0322441E-03 4 1.4381749E+02 1.8254062E-01 -9.4098099E-02 2.0850437E-02 5 6.5402304E+01 3.7579431E-01 -1.9299301E-01 4.3367494E-02 6 3.0989569E+01 4.0959413E-01 -1.6268945E-01 3.3117247E-02 7 1.4701795E+01 1.6715179E-01 2.1243136E-01 -5.8290429E-02 8 6.8355392E+00 1.4422416E-02 5.4664753E-01 -1.4995592E-01 9 3.0251857E+00 1.4260123E-03 3.6337918E-01 -4.3443376E-02 10 1.0875543E+00 -1.9036131E-04 4.9379180E-02 3.0827644E-01 11 3.7659330E-01 1.0543660E-04 -3.5507063E-03 5.4090840E-01 12 1.1242152E-01 -3.2532578E-05 1.2269120E-03 3.9171915E-01 4f- 1 2.5835941E+02 4.2366504E-03 2 8.7672872E+01 3.1381042E-02 3 3.6056772E+01 1.1786764E-01 4 1.6118087E+01 2.6824839E-01 5 7.3210098E+00 3.7413913E-01 6 3.2370475E+00 3.4693693E-01 7 1.3357291E+00 2.0131822E-01 8 4.7476634E-01 4.9850853E-02 4f+ 1 2.5835941E+02 3.7988875E-03 2 8.7672872E+01 2.9725189E-02 3 3.6056772E+01 1.1427287E-01 4 1.6118087E+01 2.6282354E-01 5 7.3210098E+00 3.7170698E-01 6 3.2370475E+00 3.5039551E-01 7 1.3357291E+00 2.0838767E-01 8 4.7476634E-01 5.4875663E-02 Small component functions ------------------------- 1s+ 2s+ 3s+ 4s+ 5s+ 6s+ 1 5.9022427E+07 -1.9333389E-04 7.2850011E-05 -3.4487312E-05 -1.6902199E-05 -6.7724237E-06 1.8822382E-06 2 1.4333913E+07 -6.8587375E-04 2.5862614E-04 -1.2256523E-04 -5.9981735E-05 -2.4043119E-05 6.6819106E-06 3 4.3049975E+06 -1.4986918E-03 5.6508436E-04 -2.6750539E-04 -1.3113351E-04 -5.2540531E-05 1.4602529E-05 4 1.4086043E+06 -3.0700485E-03 1.1594116E-03 -5.4970847E-04 -2.6894806E-04 -1.0781597E-04 2.9963266E-05 5 4.9523899E+05 -5.8627396E-03 2.2158033E-03 -1.0491320E-03 -5.1450954E-04 -2.0613257E-04 5.7290966E-05 6 1.8397293E+05 -1.0765215E-02 4.0854389E-03 -1.9390691E-03 -9.4853740E-04 -3.8030353E-04 1.0569001E-04 7 7.1813900E+04 -1.8902707E-02 7.2108286E-03 -3.4186157E-03 -1.6778977E-03 -6.7221374E-04 1.8683503E-04 8 2.9282889E+04 -3.1642267E-02 1.2244651E-02 -5.8332056E-03 -2.8542018E-03 -1.1447243E-03 3.1813261E-04 9 1.2421670E+04 -4.9609805E-02 1.9684871E-02 -9.3924012E-03 -4.6208057E-03 -1.8515820E-03 5.1466785E-04 10 5.4600712E+03 -7.0083126E-02 2.9427518E-02 -1.4231399E-02 -6.9802860E-03 -2.8025172E-03 7.7891361E-04 11 2.4784888E+03 -8.2676075E-02 3.8496538E-02 -1.8885399E-02 -9.3732520E-03 -3.7602227E-03 1.0454930E-03 12 1.1582358E+03 -6.9550686E-02 3.9107319E-02 -2.0043090E-02 -9.9234378E-03 -4.0004062E-03 1.1121832E-03 13 5.5401499E+02 -3.1590989E-02 1.7241658E-02 -8.7196950E-03 -4.4811712E-03 -1.7932438E-03 4.9915708E-04 14 2.5674424E+02 -4.3126102E-03 -2.5860703E-02 1.9130492E-02 1.0695335E-02 4.3763659E-03 -1.2214531E-03 15 1.2874781E+02 1.7422718E-04 -4.0926896E-02 4.0716662E-02 2.3450592E-02 9.8251748E-03 -2.7451242E-03 16 6.5927305E+01 -8.3543040E-05 -1.5939043E-02 1.5482493E-02 1.0522567E-02 4.4767498E-03 -1.2585090E-03 17 3.1897992E+01 3.3554265E-05 -1.1791091E-03 -2.5409216E-02 -2.6244896E-02 -1.2384018E-02 3.5276806E-03 18 1.6634012E+01 -1.2481137E-05 4.9509138E-05 -1.6198342E-02 -2.0095678E-02 -1.0231300E-02 2.9371420E-03 19 7.3788907E+00 3.7087511E-06 -9.6291730E-06 -1.2225629E-03 1.2991538E-02 9.4957894E-03 -2.8559301E-03 20 3.6211558E+00 -1.1927037E-06 4.2311069E-06 5.7504496E-05 9.2565985E-03 9.0205493E-03 -2.9357579E-03 21 1.1456183E+00 2.2821364E-07 -8.5883230E-07 -9.5626465E-06 3.2567236E-04 -5.0815206E-03 2.1639183E-03 22 5.1525406E-01 -7.0523401E-08 2.8329646E-07 2.9333467E-06 -4.1107301E-05 -2.8705940E-03 1.8790226E-03 23 1.0245270E-01 8.5878540E-09 -5.0993752E-08 -2.7669230E-07 3.7741201E-06 -5.1335592E-05 -1.2569744E-03 24 3.9305199E-02 -2.4248827E-09 1.9536548E-08 6.1327294E-08 -9.7996636E-07 5.9137914E-06 -7.2355187E-04 2p- 3p- 4p- 5p- 6p- 1 4.4160912E+06 -8.3136234E-05 4.1692127E-05 -2.0195144E-05 7.4369088E-06 -1.7579482E-06 2 6.5418532E+05 -2.8961008E-04 1.4535908E-04 -7.0406574E-05 2.5983209E-05 -6.1341883E-06 3 1.3520798E+05 -8.4607907E-04 4.2655296E-04 -2.0688881E-04 7.6134178E-05 -1.8007485E-05 4 3.4242298E+04 -2.3360419E-03 1.1809686E-03 -5.7290607E-04 2.1167172E-04 -4.9949667E-05 5 1.0208162E+04 -6.0398187E-03 3.0815766E-03 -1.4988371E-03 5.5151935E-04 -1.3050634E-04 6 3.4979130E+03 -1.4156863E-02 7.3021026E-03 -3.5585475E-03 1.3169307E-03 -3.1067418E-04 7 1.3422513E+03 -2.8627564E-02 1.5215671E-02 -7.4721853E-03 2.7524338E-03 -6.5181149E-04 8 5.6185991E+02 -4.5632001E-02 2.5324690E-02 -1.2556190E-02 4.6723285E-03 -1.1014953E-03 9 2.5041060E+02 -4.8909540E-02 2.8692802E-02 -1.4453435E-02 5.3244640E-03 -1.2654490E-03 10 1.1658027E+02 -2.6066244E-02 8.8986530E-03 -3.3342137E-03 1.2332407E-03 -2.7693395E-04 11 5.4881478E+01 -3.9065465E-03 -2.3002517E-02 1.7210502E-02 -7.1009189E-03 1.6710541E-03 12 2.7116673E+01 2.7478086E-04 -2.4209233E-02 1.9344278E-02 -7.6105561E-03 1.8548933E-03 13 1.3291556E+01 1.8758338E-04 -5.3432274E-03 -6.0418951E-03 3.4139094E-03 -9.0854115E-04 14 6.4414429E+00 1.1293173E-04 -1.3417379E-04 -1.4691737E-02 9.1660372E-03 -2.2024405E-03 15 3.0564694E+00 8.0360110E-05 -2.6493568E-05 -4.2331783E-03 6.8490937E-04 -2.1542329E-04 16 1.1651775E+00 4.0198893E-05 2.5837440E-06 -1.1961515E-04 -6.0700387E-03 2.0342663E-03 17 4.6212003E-01 2.5361240E-05 -1.4254245E-06 6.9763803E-06 -2.4668931E-03 6.7213022E-04 18 1.0266474E-01 1.1179888E-05 -1.8586081E-07 1.5320160E-06 -7.1321293E-05 -1.5537360E-03 19 3.3603855E-02 3.5942517E-06 -1.1432915E-07 6.3564444E-07 6.8584529E-06 -7.9717114E-04 2p+ 3p+ 4p+ 5p+ 6p+ 1 4.4160912E+06 -3.8649391E-06 1.9950367E-06 -9.7089068E-07 3.4383999E-07 -8.1784912E-08 2 6.5418532E+05 -3.0661789E-05 1.5681717E-05 -7.5694396E-06 2.7309543E-06 -6.4527887E-07 3 1.3520798E+05 -1.7740132E-04 9.1382872E-05 -4.4370800E-05 1.5801868E-05 -3.7511203E-06 4 3.4242298E+04 -8.1439187E-04 4.1824665E-04 -2.0233841E-04 7.2723504E-05 -1.7207494E-05 5 1.0208162E+04 -3.0137562E-03 1.5600986E-03 -7.5783536E-04 2.7056326E-04 -6.4178712E-05 6 3.4979130E+03 -9.0266384E-03 4.7107452E-03 -2.2883440E-03 8.2220722E-04 -1.9463533E-04 7 1.3422513E+03 -2.1733580E-02 1.1667441E-02 -5.7159567E-03 2.0448429E-03 -4.8508612E-04 8 5.6185991E+02 -3.9931961E-02 2.2386118E-02 -1.1061055E-02 3.9906695E-03 -9.4483683E-04 9 2.5041060E+02 -4.9391836E-02 2.9679656E-02 -1.4973970E-02 5.3749309E-03 -1.2769028E-03 10 1.1658027E+02 -3.1802302E-02 1.5782738E-02 -7.3326493E-03 2.6585535E-03 -6.2480459E-04 11 5.4881478E+01 -6.8966593E-03 -1.7014284E-02 1.2907796E-02 -5.1528599E-03 1.2234250E-03 12 2.7116673E+01 -1.0410093E-04 -2.5866742E-02 2.1043697E-02 -8.1616974E-03 1.9672561E-03 13 1.3291556E+01 -5.1789375E-05 -7.3877152E-03 -1.6442608E-03 1.2428770E-03 -3.3997757E-04 14 6.4414429E+00 2.0074192E-05 -2.9222933E-04 -1.4499255E-02 8.4056743E-03 -2.0539370E-03 15 3.0564694E+00 -5.0729732E-06 -3.3793968E-05 -5.6044225E-03 2.4209834E-03 -6.2419860E-04 16 1.1651775E+00 1.1243072E-06 5.2688388E-06 -2.6125442E-04 -5.2175554E-03 1.6284946E-03 17 4.6212003E-01 -2.5642143E-07 -1.1744442E-06 1.1130944E-05 -3.1222268E-03 1.0518543E-03 18 1.0266474E-01 2.9009430E-08 1.5763457E-07 -1.2121857E-06 -1.4417493E-04 -1.2365689E-03 19 3.3603855E-02 -5.3942154E-09 -3.5135663E-08 2.7204123E-07 1.6076258E-05 -9.8147181E-04 3d- 4d- 5d- 1 3.3975024E+03 -6.2379988E-04 3.1022231E-04 -7.0978589E-05 2 9.2970424E+02 -3.1860797E-03 1.5921372E-03 -3.6026040E-04 3 3.4126697E+02 -1.0169324E-02 5.1568258E-03 -1.1821531E-03 4 1.4381749E+02 -2.1934026E-02 1.1331579E-02 -2.5750466E-03 5 6.5402304E+01 -2.9612878E-02 1.5186623E-02 -3.5048840E-03 6 3.0989569E+01 -2.1380987E-02 8.0967500E-03 -1.6513202E-03 7 1.4701795E+01 -5.6883578E-03 -8.7417286E-03 2.4386383E-03 8 6.8355392E+00 -2.9379779E-04 -1.3876378E-02 3.9283779E-03 9 3.0251857E+00 -1.3769589E-05 -5.7375768E-03 5.0178314E-04 10 1.0875543E+00 4.6180179E-06 -4.2608888E-04 -3.3652714E-03 11 3.7659330E-01 1.0625194E-07 1.7800820E-05 -3.2133705E-03 12 1.1242152E-01 3.1802386E-07 -3.1279931E-06 -1.1684706E-03 3d+ 4d+ 5d+ 1 3.3975024E+03 -4.7093108E-04 2.3306201E-04 -5.1988111E-05 2 9.2970424E+02 -2.7232027E-03 1.3546539E-03 -2.9859856E-04 3 3.4126697E+02 -9.3111241E-03 4.6982483E-03 -1.0487421E-03 4 1.4381749E+02 -2.0935699E-02 1.0778161E-02 -2.3877121E-03 5 6.5402304E+01 -2.9252180E-02 1.5008465E-02 -3.3721827E-03 6 3.0989569E+01 -2.2011481E-02 8.7432357E-03 -1.7802169E-03 7 1.4701795E+01 -6.1953128E-03 -7.8501458E-03 2.1538420E-03 8 6.8355392E+00 -3.6416531E-04 -1.3794912E-02 3.7836659E-03 9 3.0251857E+00 -2.4105526E-05 -6.1020507E-03 7.2965402E-04 10 1.0875543E+00 1.9678070E-06 -4.9723772E-04 -3.1032810E-03 11 3.7659330E-01 -6.4289541E-07 2.1050341E-05 -3.2043650E-03 12 1.1242152E-01 1.1035120E-07 -3.9749554E-06 -1.2678968E-03 4f- 1 2.5835941E+02 -7.0185657E-04 2 8.7672872E+01 -3.1585599E-03 3 3.6056772E+01 -7.6918283E-03 4 1.6118087E+01 -1.1754278E-02 5 7.3210098E+00 -1.1066667E-02 6 3.2370475E+00 -6.8284433E-03 7 1.3357291E+00 -2.5457865E-03 8 4.7476634E-01 -3.7579229E-04 4f+ 1 2.5835941E+02 -6.5268185E-04 2 8.7672872E+01 -3.0214911E-03 3 3.6056772E+01 -7.4867184E-03 4 1.6118087E+01 -1.1537619E-02 5 7.3210098E+00 -1.1004877E-02 6 3.2370475E+00 -6.9000878E-03 7 1.3357291E+00 -2.6362402E-03 8 4.7476634E-01 -4.1389684E-04 ** W 184 ** Large component functions ------------------------- 1s+ 2s+ 3s+ 4s+ 5s+ 6s+ 1 5.8948604E+07 1.5232822E-04 -5.7816963E-05 2.7445692E-05 1.3488605E-05 -5.4871388E-06 -1.5495804E-06 2 1.4407022E+07 3.9519969E-04 -1.5056769E-04 7.1533821E-05 3.5149366E-05 -1.4300559E-05 -4.0384153E-06 3 4.3563174E+06 8.9851588E-04 -3.4385630E-04 1.6342491E-04 8.0355664E-05 -3.2689364E-05 -9.2317703E-06 4 1.4337345E+06 1.9278946E-03 -7.4331757E-04 3.5386136E-04 1.7391909E-04 -7.0770517E-05 -1.9985258E-05 5 5.0654803E+05 4.1108693E-03 -1.5993780E-03 7.6197372E-04 3.7499622E-04 -1.5256109E-04 -4.3086503E-05 6 1.8889201E+05 8.7618842E-03 -3.4527176E-03 1.6497623E-03 8.1118747E-04 -3.3018343E-04 -9.3241836E-05 7 7.3951335E+04 1.8784145E-02 -7.5102475E-03 3.5921556E-03 1.7705550E-03 -7.2038292E-04 -2.0346713E-04 8 3.0220460E+04 4.0095959E-02 -1.6378890E-02 7.8748406E-03 3.8747536E-03 -1.5779683E-03 -4.4560483E-04 9 1.2839746E+04 8.3299892E-02 -3.5065793E-02 1.6905022E-02 8.3566414E-03 -3.4007961E-03 -9.6066571E-04 10 5.6500529E+03 1.6053269E-01 -7.1597586E-02 3.4971113E-02 1.7248562E-02 -7.0325698E-03 -1.9859846E-03 11 2.5665602E+03 2.6361908E-01 -1.3008009E-01 6.4418618E-02 3.2124034E-02 -1.3086697E-02 -3.6981972E-03 12 1.1998849E+03 3.1275557E-01 -1.8488342E-01 9.5445062E-02 4.7483244E-02 -1.9438825E-02 -5.4900216E-03 13 5.7408845E+02 2.0238730E-01 -1.1259263E-01 5.6481194E-02 2.9065178E-02 -1.1790775E-02 -3.3391521E-03 14 2.6652783E+02 4.0774357E-02 2.5752021E-01 -1.9327323E-01 -1.0862954E-01 4.5151158E-02 1.2819383E-02 15 1.3372097E+02 -2.2080008E-03 5.6682374E-01 -5.6877511E-01 -3.2942212E-01 1.4025327E-01 3.9804229E-02 16 6.8527974E+01 1.5207619E-03 3.1042012E-01 -3.0334291E-01 -2.0620411E-01 8.9003580E-02 2.5490198E-02 17 3.3182103E+01 -8.8051151E-04 3.3302895E-02 7.0872465E-01 7.3651712E-01 -3.5341449E-01 -1.0253704E-01 18 1.7320994E+01 4.5332922E-04 -1.8328948E-03 6.3045658E-01 7.8607232E-01 -4.0756229E-01 -1.1890073E-01 19 7.7074188E+00 -2.0364518E-04 4.8780185E-04 7.2846441E-02 -7.5020547E-01 5.6049146E-01 1.7162460E-01 20 3.8027242E+00 9.4248318E-05 -3.0000421E-04 -5.0786867E-03 -7.7700072E-01 7.7381345E-01 2.5819695E-01 21 1.2246978E+00 -3.1909677E-05 9.2425885E-05 1.5287112E-03 -4.9662900E-02 -7.6332330E-01 -3.3978317E-01 22 5.5373359E-01 1.4364763E-05 -3.6728531E-05 -7.1244534E-04 9.1097298E-03 -6.3436160E-01 -4.1115492E-01 23 1.1256640E-01 -3.6478834E-06 9.7274567E-06 1.6453418E-04 -1.8399393E-03 -2.5849692E-02 6.1639692E-01 24 4.2396148E-02 1.5114142E-06 -4.1092398E-06 -6.6704348E-05 7.5020526E-04 4.5043550E-03 5.8589711E-01 2p- 3p- 4p- 5p- 6p- 1 4.7997166E+06 2.5909558E-04 -1.3002124E-04 6.3207552E-05 -2.3753762E-05 5.6679263E-06 2 7.1488772E+05 7.8763201E-04 -3.9539504E-04 1.9222437E-04 -7.2251266E-05 1.7238361E-05 3 1.4792140E+05 2.1252078E-03 -1.0683307E-03 5.1958158E-04 -1.9523171E-04 4.6592101E-05 4 3.7396036E+04 5.5012521E-03 -2.7734117E-03 1.3495055E-03 -5.0760653E-04 1.2107231E-04 5 1.1100928E+04 1.4623565E-02 -7.4336696E-03 3.6253517E-03 -1.3616949E-03 3.2518197E-04 6 3.7831417E+03 4.0517519E-02 -2.0868300E-02 1.0202203E-02 -3.8466439E-03 9.1682220E-04 7 1.4441627E+03 1.0921711E-01 -5.7944390E-02 2.8551999E-02 -1.0729714E-02 2.5655782E-03 8 6.0191644E+02 2.4801161E-01 -1.3726265E-01 6.8241700E-02 -2.5882889E-02 6.1628855E-03 9 2.6733753E+02 3.9064923E-01 -2.2803485E-01 1.1523458E-01 -4.3306668E-02 1.0394523E-02 10 1.2413740E+02 3.1417653E-01 -1.1442395E-01 4.5084539E-02 -1.7014017E-02 3.8866329E-03 11 5.8367129E+01 7.9840536E-02 3.6342760E-01 -2.7396559E-01 1.1550520E-01 -2.7444709E-02 12 2.8829186E+01 1.1466457E-03 5.7519617E-01 -4.6455787E-01 1.8715238E-01 -4.6124689E-02 13 1.4188136E+01 8.0661287E-04 1.9139889E-01 1.7705710E-01 -1.0457417E-01 2.8562433E-02 14 6.8653384E+00 -4.2748688E-04 8.0465198E-03 7.1458016E-01 -4.5640824E-01 1.1105425E-01 15 3.2662322E+00 1.2541611E-04 1.6041267E-03 3.1178663E-01 -6.2394080E-02 1.9059350E-02 16 1.2513023E+00 -4.4823015E-05 -3.8400568E-04 1.5573958E-02 6.9936661E-01 -2.4095364E-01 17 4.9850131E-01 1.7066151E-05 1.2638046E-04 -6.4554201E-04 4.4195870E-01 -1.1291618E-01 18 1.1073115E-01 -4.2563921E-06 -3.5969824E-05 1.2552143E-04 2.6503571E-02 5.9749123E-01 19 3.5546007E-02 1.6224391E-06 1.3648316E-05 -5.0628243E-05 -4.4760030E-03 5.3084772E-01 2p+ 3p+ 4p+ 5p+ 6p+ 1 4.7997166E+06 1.6762463E-06 -8.6591742E-07 4.2216361E-07 -1.5383774E-07 3.6449578E-08 2 7.1488772E+05 1.5686150E-05 -8.0927553E-06 3.9330119E-06 -1.4427488E-06 3.4091731E-07 3 1.4792140E+05 1.1754309E-04 -6.0992483E-05 2.9761757E-05 -1.0851643E-05 2.5708052E-06 4 3.7396036E+04 7.6601551E-04 -3.9775181E-04 1.9363809E-04 -7.1015613E-05 1.6785013E-05 5 1.1100928E+04 4.2711053E-03 -2.2355146E-03 1.0928049E-03 -3.9881530E-04 9.4466913E-05 6 3.7831417E+03 1.9688783E-02 -1.0393115E-02 5.0798309E-03 -1.8640034E-03 4.4065393E-04 7 1.4441627E+03 7.2744548E-02 -3.9437721E-02 1.9440224E-02 -7.1061735E-03 1.6836044E-03 8 6.0191644E+02 2.0310923E-01 -1.1478310E-01 5.7011563E-02 -2.1006214E-02 4.9663588E-03 9 2.6733753E+02 3.7889863E-01 -2.2907059E-01 1.1620170E-01 -4.2620579E-02 1.0113372E-02 10 1.2413740E+02 3.6796470E-01 -1.8960191E-01 8.9513877E-02 -3.3145317E-02 7.7802323E-03 11 5.8367129E+01 1.2265467E-01 2.6016915E-01 -1.9980277E-01 8.1670899E-02 -1.9357342E-02 12 2.8829186E+01 3.1284062E-03 6.1063645E-01 -5.0025924E-01 1.9873693E-01 -4.7903582E-02 13 1.4188136E+01 1.9924539E-03 2.6463034E-01 2.2963626E-02 -2.8050518E-02 8.2274149E-03 14 6.8653384E+00 -1.1145333E-03 1.7522726E-02 6.9696380E-01 -4.1385656E-01 1.0116416E-01 15 3.2662322E+00 4.2684965E-04 2.1446771E-03 4.1204641E-01 -1.9059131E-01 4.9304161E-02 16 1.2513023E+00 -1.5720144E-04 -5.2840753E-04 3.2465505E-02 5.9973563E-01 -1.9025970E-01 17 4.9850131E-01 5.8975207E-05 1.8049985E-04 -2.2444267E-03 5.6405198E-01 -1.8460471E-01 18 1.1073115E-01 -1.5333756E-05 -5.2163861E-05 5.1942966E-04 5.4016978E-02 4.7073197E-01 19 3.5546007E-02 5.8322255E-06 1.9838047E-05 -1.9881533E-04 -1.0350517E-02 6.5982375E-01 3d- 4d- 5d- 1 3.5742320E+03 1.7245605E-03 -8.6303521E-04 2.1241527E-04 2 9.7523342E+02 1.2319724E-02 -6.2024220E-03 1.5138496E-03 3 3.5742526E+02 5.9363915E-02 -3.0316512E-02 7.4923835E-03 4 1.5051931E+02 1.9133958E-01 -9.9576121E-02 2.4396631E-02 5 6.8457199E+01 3.8083426E-01 -1.9672688E-01 4.8966168E-02 6 3.2460256E+01 4.0150010E-01 -1.5469948E-01 3.4026113E-02 7 1.5432289E+01 1.5825819E-01 2.3168452E-01 -7.0237421E-02 8 7.1962685E+00 1.3143794E-02 5.5028809E-01 -1.6935478E-01 9 3.2085088E+00 1.3093107E-03 3.4429191E-01 -3.2393850E-02 10 1.1736226E+00 -2.0223580E-04 4.3144844E-02 3.5548379E-01 11 4.1792855E-01 1.0246238E-04 -2.9098626E-03 5.4238594E-01 12 1.2831986E-01 -3.2963525E-05 1.0357009E-03 3.3075670E-01 3d+ 4d+ 5d+ 1 3.5742320E+03 9.2539365E-04 -4.6221235E-04 1.1110386E-04 2 9.7523342E+02 9.4984433E-03 -4.7704592E-03 1.1335940E-03 3 3.5742526E+02 5.2260616E-02 -2.6605558E-02 6.4033605E-03 4 1.5051931E+02 1.7965205E-01 -9.3333616E-02 2.2288247E-02 5 6.8457199E+01 3.7308701E-01 -1.9319122E-01 4.6815196E-02 6 3.2460256E+01 4.1132416E-01 -1.6652000E-01 3.6564613E-02 7 1.5432289E+01 1.7106903E-01 2.0668508E-01 -6.1663209E-02 8 7.1962685E+00 1.5385561E-02 5.4641830E-01 -1.6291532E-01 9 3.2085088E+00 1.4219312E-03 3.6630048E-01 -4.7439659E-02 10 1.1736226E+00 -2.0100214E-04 5.0290840E-02 3.2750990E-01 11 4.1792855E-01 1.0732172E-04 -3.5249105E-03 5.4224670E-01 12 1.2831986E-01 -3.4736879E-05 1.2724387E-03 3.6374531E-01 4f- 1 2.8232299E+02 3.8673991E-03 2 9.5844068E+01 2.9131455E-02 3 3.9577243E+01 1.1149986E-01 4 1.7778761E+01 2.6055245E-01 5 8.1485999E+00 3.7270974E-01 6 3.6517667E+00 3.5142586E-01 7 1.5372681E+00 2.0312058E-01 8 5.6143065E-01 4.9212226E-02 4f+ 1 2.8232299E+02 3.4461112E-03 2 9.5844068E+01 2.7519638E-02 3 3.9577243E+01 1.0800164E-01 4 1.7778761E+01 2.5521663E-01 5 8.1485999E+00 3.7015297E-01 6 3.6517667E+00 3.5490087E-01 7 1.5372681E+00 2.0990412E-01 8 5.6143065E-01 5.3783156E-02 Small component functions ------------------------- 1s+ 2s+ 3s+ 4s+ 5s+ 6s+ 1 5.8948604E+07 -2.0256456E-04 7.6670610E-05 -3.6365553E-05 -1.7880773E-05 7.2725067E-06 2.0538627E-06 2 1.4407022E+07 -7.1643960E-04 2.7135631E-04 -1.2884263E-04 -6.3262050E-05 2.5740691E-05 7.2686911E-06 3 4.3563174E+06 -1.5554986E-03 5.8914484E-04 -2.7943009E-04 -1.3742541E-04 5.5891146E-05 1.5784754E-05 4 1.4337345E+06 -3.1708153E-03 1.2028352E-03 -5.7138482E-04 -2.8047797E-04 1.1413567E-04 3.2228992E-05 5 5.0654803E+05 -6.0263157E-03 2.2879621E-03 -1.0853820E-03 -5.3401966E-04 2.1717185E-04 6.1335403E-05 6 1.8889201E+05 -1.1022005E-02 4.2017221E-03 -1.9980791E-03 -9.8064610E-04 3.9911602E-04 1.1269754E-04 7 7.3951335E+04 -1.9284283E-02 7.3897565E-03 -3.5102184E-03 -1.7284544E-03 7.0289560E-04 1.9852684E-04 8 3.0220460E+04 -3.2183160E-02 1.2508526E-02 -5.9703110E-03 -2.9310250E-03 1.1933048E-03 3.3694558E-04 9 1.2839746E+04 -5.0328922E-02 2.0053528E-02 -9.5866196E-03 -4.7316109E-03 1.9245198E-03 5.4362564E-04 10 5.6500529E+03 -7.0976991E-02 2.9903127E-02 -1.4487832E-02 -7.1298688E-03 2.9059106E-03 8.2054992E-04 11 2.5665602E+03 -8.3700814E-02 3.9045863E-02 -1.9187149E-02 -9.5532102E-03 3.8900297E-03 1.0992473E-03 12 1.1998849E+03 -7.0576588E-02 3.9604619E-02 -2.0321788E-02 -1.0094877E-02 4.1314303E-03 1.1667539E-03 13 5.7408845E+02 -3.2275123E-02 1.7480143E-02 -8.8286272E-03 -4.5464042E-03 1.8457183E-03 5.2270061E-04 14 2.6652783E+02 -4.4794530E-03 -2.6105669E-02 1.9374818E-02 1.0870668E-02 -4.5156084E-03 -1.2820484E-03 15 1.3372097E+02 1.7402311E-04 -4.1595004E-02 4.1379435E-02 2.3926610E-02 -1.0183258E-02 -2.8898552E-03 16 6.8527974E+01 -8.5552226E-05 -1.6373731E-02 1.5976058E-02 1.0864910E-02 -4.6909809E-03 -1.3434908E-03 17 3.3182103E+01 3.4483845E-05 -1.2322873E-03 -2.5765816E-02 -2.6723524E-02 1.2817721E-02 3.7186764E-03 18 1.7320994E+01 -1.2921795E-05 5.2901789E-05 -1.6624596E-02 -2.0698270E-02 1.0730746E-02 3.1304991E-03 19 7.7074188E+00 3.8959316E-06 -1.0581208E-05 -1.2778366E-03 1.3159206E-02 -9.8259428E-03 -3.0084514E-03 20 3.8027242E+00 -1.2719815E-06 4.5954817E-06 6.1305231E-05 9.5796035E-03 -9.5373093E-03 -3.1822594E-03 21 1.2246978E+00 2.4857887E-07 -9.4780222E-07 -1.0226927E-05 3.4769072E-04 5.3381307E-03 2.3760271E-03 22 5.5373359E-01 -7.6736856E-08 3.1019036E-07 3.1331120E-06 -4.2945321E-05 2.9835305E-03 1.9336144E-03 23 1.1256640E-01 9.3588145E-09 -5.4797747E-08 -2.9328711E-07 3.9236180E-06 5.4786842E-05 -1.3069592E-03 24 4.2396148E-02 -2.5754291E-09 2.0330582E-08 6.2182550E-08 -9.8559537E-07 -5.8503878E-06 -7.6239597E-04 2p- 3p- 4p- 5p- 6p- 1 4.7997166E+06 -8.4667558E-05 4.2554819E-05 -2.0697724E-05 7.7731536E-06 -1.8556598E-06 2 7.1488772E+05 -2.9299023E-04 1.4738888E-04 -7.1672181E-05 2.6973015E-05 -6.4308279E-06 3 1.4792140E+05 -8.4834174E-04 4.2861537E-04 -2.0875638E-04 7.8346918E-05 -1.8715119E-05 4 3.7396036E+04 -2.3236889E-03 1.1773521E-03 -5.7337365E-04 2.1603133E-04 -5.1481207E-05 5 1.1100928E+04 -5.9823130E-03 3.0584561E-03 -1.4938566E-03 5.6060283E-04 -1.3397898E-04 6 3.7831417E+03 -1.4018635E-02 7.2437658E-03 -3.5433548E-03 1.3372153E-03 -3.1856483E-04 7 1.4441627E+03 -2.8469034E-02 1.5143560E-02 -7.4668174E-03 2.8050490E-03 -6.7092054E-04 8 6.0191644E+02 -4.5848055E-02 2.5442765E-02 -1.2655145E-02 4.8017135E-03 -1.1431281E-03 9 2.6733753E+02 -5.0104860E-02 2.9405651E-02 -1.4878001E-02 5.5916364E-03 -1.3423307E-03 10 1.2413740E+02 -2.7613190E-02 1.0190636E-02 -4.0426570E-03 1.5293477E-03 -3.4934480E-04 11 5.8367129E+01 -4.3926226E-03 -2.2639319E-02 1.7005072E-02 -7.1656248E-03 1.7024239E-03 12 2.8829186E+01 2.8601041E-04 -2.5233866E-02 2.0356558E-02 -8.2010555E-03 2.0211300E-03 13 1.4188136E+01 1.9641366E-04 -5.8997411E-03 -5.4005637E-03 3.1930956E-03 -8.7262562E-04 14 6.8653384E+00 1.2306019E-04 -1.7521969E-04 -1.5259580E-02 9.7478021E-03 -2.3718372E-03 15 3.2662322E+00 8.5329399E-05 -2.5747677E-05 -4.5852862E-03 9.1757739E-04 -2.8054023E-04 16 1.2513023E+00 4.3203954E-05 2.4573364E-06 -1.3525821E-04 -6.3837964E-03 2.1991852E-03 17 4.9850131E-01 2.7380950E-05 -1.3829054E-06 8.1234205E-06 -2.5467106E-03 6.5068626E-04 18 1.1073115E-01 1.2145811E-05 -1.9687966E-07 1.6157387E-06 -7.2269692E-05 -1.6220181E-03 19 3.5546007E-02 3.8907348E-06 -1.1399775E-07 7.0255852E-07 6.7820857E-06 -8.1651735E-04 2p+ 3p+ 4p+ 5p+ 6p+ 1 4.7997166E+06 -3.6915808E-06 1.9111127E-06 -9.3524465E-07 3.3825013E-07 -8.0391525E-08 2 7.1488772E+05 -2.9118744E-05 1.4940946E-05 -7.2375499E-06 2.6665075E-06 -6.2890756E-07 3 1.4792140E+05 -1.6833003E-04 8.6968633E-05 -4.2437212E-05 1.5434171E-05 -3.6597851E-06 4 3.7396036E+04 -7.7535719E-04 3.9943367E-04 -1.9400728E-04 7.1204094E-05 -1.6821259E-05 5 1.1100928E+04 -2.8909204E-03 1.5006002E-03 -7.3232371E-04 2.6701175E-04 -6.3257768E-05 6 3.7831417E+03 -8.7422131E-03 4.5733623E-03 -2.2304482E-03 8.1831422E-04 -1.9342124E-04 7 1.4441627E+03 -2.1289962E-02 1.1444314E-02 -5.6308424E-03 2.0572137E-03 -4.8740439E-04 8 6.0191644E+02 -3.9723968E-02 2.2277704E-02 -1.1046074E-02 4.0688651E-03 -9.6191039E-04 9 2.6733753E+02 -5.0284513E-02 3.0211046E-02 -1.5306526E-02 5.6125968E-03 -1.3317896E-03 10 1.2413740E+02 -3.3583697E-02 1.7267248E-02 -8.1604305E-03 3.0221325E-03 -7.0944467E-04 11 5.8367129E+01 -7.7030723E-03 -1.6120449E-02 1.2363625E-02 -5.0529348E-03 1.1975407E-03 12 2.8829186E+01 -1.3927353E-04 -2.6760850E-02 2.1896842E-02 -8.6975511E-03 2.0964277E-03 13 1.4188136E+01 -6.1111367E-05 -8.1472835E-03 -6.9065478E-04 8.5380330E-04 -2.5079030E-04 14 6.8653384E+00 2.3659289E-05 -3.7508039E-04 -1.4898931E-02 8.8443277E-03 -2.1618647E-03 15 3.2662322E+00 -6.1856347E-06 -3.1741433E-05 -6.0775370E-03 2.8109633E-03 -7.2717539E-04 16 1.2513023E+00 1.3861373E-06 4.8546277E-06 -2.9643568E-04 -5.4731967E-03 1.7362536E-03 17 4.9850131E-01 -3.1985842E-07 -1.0497887E-06 1.2945638E-05 -3.2493001E-03 1.0634148E-03 18 1.1073115E-01 3.6289250E-08 1.4378520E-07 -1.4134830E-06 -1.4665028E-04 -1.2779876E-03 19 3.5546007E-02 -6.8684302E-09 -3.1285762E-08 3.0696538E-07 1.5919554E-05 -1.0149494E-03 3d- 4d- 5d- 1 3.5742320E+03 -6.2199104E-04 3.1157531E-04 -7.6874154E-05 2 9.7523342E+02 -3.1822745E-03 1.6023825E-03 -3.9082474E-04 3 3.5742526E+02 -1.0195943E-02 5.2075192E-03 -1.2873528E-03 4 1.5051931E+02 -2.2116093E-02 1.1512796E-02 -2.8204771E-03 5 6.8457199E+01 -3.0098874E-02 1.5559792E-02 -3.8736114E-03 6 3.2460256E+01 -2.1970164E-02 8.4838248E-03 -1.8671430E-03 7 1.5432289E+01 -5.9563847E-03 -8.7666799E-03 2.6570704E-03 8 7.1962685E+00 -3.2105049E-04 -1.4240348E-02 4.3826418E-03 9 3.2085088E+00 -1.3733084E-05 -5.9501220E-03 5.6043601E-04 10 1.1736226E+00 5.0445938E-06 -4.4972617E-04 -3.7170504E-03 11 4.1792855E-01 1.4005153E-07 1.8532573E-05 -3.3847125E-03 12 1.2831986E-01 3.7024750E-07 -3.4420702E-06 -1.1437182E-03 3d+ 4d+ 5d+ 1 3.5742320E+03 -4.6487256E-04 2.3176148E-04 -5.5737978E-05 2 9.7523342E+02 -2.7040818E-03 1.3556278E-03 -3.2196324E-04 3 3.5742526E+02 -9.3037695E-03 4.7289264E-03 -1.1379835E-03 4 1.5051931E+02 -2.1068948E-02 1.0931048E-02 -2.6097265E-03 5 6.8457199E+01 -2.9706834E-02 1.5367448E-02 -3.7234855E-03 6 3.2460256E+01 -2.2622206E-02 9.1584262E-03 -2.0115059E-03 7 1.5432289E+01 -6.4963797E-03 -7.8242178E-03 2.3340739E-03 8 7.1962685E+00 -3.9862672E-04 -1.4148100E-02 4.2176258E-03 9 3.2085088E+00 -2.4767692E-05 -6.3347953E-03 8.2058360E-04 10 1.1736226E+00 2.1609695E-06 -5.2608590E-04 -3.4248526E-03 11 4.1792855E-01 -6.9127523E-07 2.2016140E-05 -3.3839993E-03 12 1.2831986E-01 1.2614048E-07 -4.4045543E-06 -1.2578498E-03 4f- 1 2.8232299E+02 -6.6620325E-04 2 9.5844068E+01 -3.0602836E-03 3 3.9577243E+01 -7.6176610E-03 4 1.7778761E+01 -1.1987032E-02 5 8.1485999E+00 -1.1629172E-02 6 3.6517667E+00 -7.3460439E-03 7 1.5372681E+00 -2.7554098E-03 8 5.6143065E-01 -4.0337516E-04 4f+ 1 2.8232299E+02 -6.1769995E-04 2 9.5844068E+01 -2.9224353E-03 3 3.9577243E+01 -7.4105899E-03 4 1.7778761E+01 -1.1765025E-02 5 8.1485999E+00 -1.1561144E-02 6 3.6517667E+00 -7.4229073E-03 7 1.5372681E+00 -2.8487367E-03 8 5.6143065E-01 -4.4113150E-04 ** Re 187 ** Large component functions ------------------------- 1s+ 2s+ 3s+ 4s+ 5s+ 6s+ 1 5.8855953E+07 1.6193406E-04 -6.1742051E-05 2.9363595E-05 1.4479151E-05 -5.9729627E-06 -1.7049220E-06 2 1.4470694E+07 4.1731617E-04 -1.5972319E-04 7.6025494E-05 3.7481087E-05 -1.5463893E-05 -4.4138748E-06 3 4.4041973E+06 9.4176364E-04 -3.6207826E-04 1.7240988E-04 8.5055514E-05 -3.5088078E-05 -1.0015823E-05 4 1.4577820E+06 2.0052650E-03 -7.7678284E-04 3.7049314E-04 1.8270339E-04 -7.5392119E-05 -2.1519139E-05 5 5.1754114E+05 4.2438086E-03 -1.6590553E-03 7.9192838E-04 3.9103565E-04 -1.6132425E-04 -4.6052061E-05 6 1.9372396E+05 8.9753716E-03 -3.5543993E-03 1.7016477E-03 8.3952457E-04 -3.4653530E-04 -9.8910277E-05 7 7.6066653E+04 1.9095697E-02 -7.6745611E-03 3.6781125E-03 1.8189725E-03 -7.5049013E-04 -2.1425654E-04 8 3.1153152E+04 4.0471090E-02 -1.6620601E-02 8.0071804E-03 3.9533294E-03 -1.6327040E-03 -4.6600621E-04 9 1.3257141E+04 8.3560179E-02 -3.5365643E-02 1.7084895E-02 8.4737779E-03 -3.4969248E-03 -9.9849784E-04 10 5.8401844E+03 1.6027272E-01 -7.1828844E-02 3.5154087E-02 1.7398574E-02 -7.1941929E-03 -2.0533656E-03 11 2.6548440E+03 2.6247744E-01 -1.2996755E-01 6.4483513E-02 3.2262136E-02 -1.3327175E-02 -3.8070787E-03 12 1.2416852E+03 3.1152354E-01 -1.8408523E-01 9.5155947E-02 4.7499727E-02 -1.9723024E-02 -5.6294062E-03 13 5.9426550E+02 2.0259743E-01 -1.1178686E-01 5.5956355E-02 2.8854074E-02 -1.1859049E-02 -3.3968706E-03 14 2.7638482E+02 4.1376979E-02 2.5589187E-01 -1.9277438E-01 -1.0875558E-01 4.5840095E-02 1.3163337E-02 15 1.3872571E+02 -2.1508500E-03 5.6527371E-01 -5.6751266E-01 -3.3003583E-01 1.4261838E-01 4.0908748E-02 16 7.1144414E+01 1.5193431E-03 3.1210184E-01 -3.0598380E-01 -2.0823696E-01 9.1090620E-02 2.6406759E-02 17 3.4488105E+01 -8.8256549E-04 3.3955875E-02 7.0516065E-01 7.3616803E-01 -3.5867518E-01 -1.0535890E-01 18 1.8020594E+01 4.5695938E-04 -1.8934251E-03 6.3344995E-01 7.9255330E-01 -4.1817989E-01 -1.2342845E-01 19 8.0425051E+00 -2.0770822E-04 5.1776170E-04 7.4334454E-02 -7.4444596E-01 5.6816189E-01 1.7636479E-01 20 3.9899702E+00 9.7209064E-05 -3.1499298E-04 -5.2773396E-03 -7.8376061E-01 7.9601080E-01 2.7036499E-01 21 1.3070749E+00 -3.3125110E-05 9.8096146E-05 1.5739243E-03 -5.1058370E-02 -7.7559891E-01 -3.5720232E-01 22 5.9274191E-01 1.4769368E-05 -3.8650754E-05 -7.2825908E-04 9.0868299E-03 -6.3574260E-01 -4.0652379E-01 23 1.2219365E-01 -3.6942231E-06 1.0070298E-05 1.6517284E-04 -1.8095888E-03 -2.6028673E-02 6.1282901E-01 24 4.5275958E-02 1.5004523E-06 -4.1785394E-06 -6.5486193E-05 7.2399978E-04 4.3174022E-03 5.9137503E-01 2p- 3p- 4p- 5p- 6p- 1 5.2075705E+06 2.6155682E-04 -1.3154656E-04 6.4211131E-05 -2.4569854E-05 5.8827395E-06 2 7.8026719E+05 7.9248311E-04 -3.9870770E-04 1.9462679E-04 -7.4484469E-05 1.7832069E-05 3 1.6169448E+05 2.1262029E-03 -1.0711170E-03 5.2307258E-04 -2.0012099E-04 4.7922381E-05 4 4.0821139E+04 5.4598681E-03 -2.7582117E-03 1.3475029E-03 -5.1605285E-04 1.2350952E-04 5 1.2070043E+04 1.4357763E-02 -7.3113411E-03 3.5802844E-03 -1.3692875E-03 3.2811364E-04 6 4.0917336E+03 3.9381804E-02 -2.0314199E-02 9.9691205E-03 -3.8268251E-03 9.1522528E-04 7 1.5539167E+03 1.0579777E-01 -5.6163342E-02 2.7785064E-02 -1.0631865E-02 2.5509707E-03 8 6.4486190E+02 2.4178831E-01 -1.3379910E-01 6.6736742E-02 -2.5768523E-02 6.1566285E-03 9 2.8542387E+02 3.8769359E-01 -2.2631116E-01 1.1485877E-01 -4.3965473E-02 1.0589252E-02 10 1.3219925E+02 3.2217738E-01 -1.2537195E-01 5.1660995E-02 -1.9901302E-02 4.5890524E-03 11 6.2106432E+01 8.6386293E-02 3.4512994E-01 -2.6138392E-01 1.1239852E-01 -2.6794363E-02 12 3.0661775E+01 1.4538072E-03 5.8073432E-01 -4.7326507E-01 1.9486761E-01 -4.8226735E-02 13 1.5145455E+01 9.5995637E-04 2.0455579E-01 1.4913964E-01 -9.2818086E-02 2.5914698E-02 14 7.3104193E+00 -5.0832334E-04 1.0013520E-02 7.1843660E-01 -4.6917987E-01 1.1493845E-01 15 3.4855280E+00 1.6142199E-04 1.4628228E-03 3.2590172E-01 -7.6379477E-02 2.2696646E-02 16 1.3404867E+00 -5.7906773E-05 -3.4645936E-04 1.6858407E-02 7.0912354E-01 -2.4858474E-01 17 5.3558900E-01 2.2103130E-05 1.0846753E-04 -7.6032407E-04 4.3960837E-01 -1.0511739E-01 18 1.1851393E-01 -5.4297460E-06 -3.1650457E-05 1.5209532E-04 2.5732129E-02 5.9879594E-01 19 3.7367081E-02 2.0440145E-06 1.1830829E-05 -5.9496845E-05 -4.3220673E-03 5.3012797E-01 2p+ 3p+ 4p+ 5p+ 6p+ 1 5.2075705E+06 1.6147420E-06 -8.3656275E-07 4.0982042E-07 -1.5222791E-07 3.5811837E-08 2 7.8026719E+05 1.4881493E-05 -7.7018147E-06 3.7585640E-06 -1.4052611E-06 3.2963790E-07 3 1.6169448E+05 1.1022844E-04 -5.7362043E-05 2.8123813E-05 -1.0453006E-05 2.4587145E-06 4 4.0821139E+04 7.1345142E-04 -3.7162298E-04 1.8168133E-04 -6.7912143E-05 1.5934764E-05 5 1.2070043E+04 3.9796268E-03 -2.0888230E-03 1.0259053E-03 -3.8165089E-04 8.9755665E-05 6 4.0917336E+03 1.8458320E-02 -9.7694987E-03 4.7948861E-03 -1.7932529E-03 4.2085274E-04 7 1.5539167E+03 6.8898540E-02 -3.7410150E-02 1.8522756E-02 -6.9018859E-03 1.6235246E-03 8 6.4486190E+02 1.9533128E-01 -1.1046117E-01 5.5066778E-02 -2.0677267E-02 4.8531974E-03 9 2.8542387E+02 3.7300460E-01 -2.2546974E-01 1.1486511E-01 -4.2955421E-02 1.0120318E-02 10 1.3219925E+02 3.7585381E-01 -1.9982936E-01 9.5792146E-02 -3.6166235E-02 8.4333309E-03 11 6.2106432E+01 1.3256182E-01 2.3649287E-01 -1.8403736E-01 7.6916555E-02 -1.8097127E-02 12 3.0661775E+01 4.1181799E-03 6.1133097E-01 -5.0352541E-01 2.0442417E-01 -4.8963588E-02 13 1.5145455E+01 2.2069252E-03 2.8232380E-01 -1.0334761E-02 -1.3162790E-02 4.6655234E-03 14 7.3104193E+00 -1.2339286E-03 2.1434363E-02 6.9264700E-01 -4.2053847E-01 1.0230336E-01 15 3.4855280E+00 4.8372877E-04 1.8705596E-03 4.3128855E-01 -2.1135813E-01 5.4345358E-02 16 1.3404867E+00 -1.7869419E-04 -4.4337295E-04 3.5342767E-02 6.0625758E-01 -1.9354017E-01 17 5.3558900E-01 6.7071982E-05 1.4383686E-04 -2.4720401E-03 5.6568176E-01 -1.7957891E-01 18 1.1851393E-01 -1.7093477E-05 -4.3248003E-05 5.7415564E-04 5.2907907E-02 4.6661001E-01 19 3.7367081E-02 6.4213737E-06 1.6198125E-05 -2.1570597E-04 -1.0051818E-02 6.6466109E-01 3d- 4d- 5d- 1 3.7564113E+03 1.7050287E-03 -8.5951059E-04 2.2458851E-04 2 1.0219834E+03 1.2105379E-02 -6.1408096E-03 1.5913213E-03 3 3.7396930E+02 5.8365012E-02 -3.0021698E-02 7.8779169E-03 4 1.5736795E+02 1.8891093E-01 -9.9059872E-02 2.5771826E-02 5 7.1575006E+01 3.7861487E-01 -1.9714046E-01 5.2108327E-02 6 3.3960782E+01 4.0303699E-01 -1.5814741E-01 3.7001341E-02 7 1.6177684E+01 1.6151575E-01 2.2712029E-01 -7.3756975E-02 8 7.5654356E+00 1.3906631E-02 5.5046891E-01 -1.8111301E-01 9 3.3979838E+00 1.3017409E-03 3.4619887E-01 -3.4896019E-02 10 1.2649090E+00 -2.1226612E-04 4.3793722E-02 3.7223369E-01 11 4.5975074E-01 1.0334923E-04 -2.7749577E-03 5.4119405E-01 12 1.4403768E-01 -3.4657336E-05 1.0445808E-03 3.0855984E-01 3d+ 4d+ 5d+ 1 3.7564113E+03 8.9646729E-04 -4.5112311E-04 1.1509309E-04 2 1.0219834E+03 9.2408471E-03 -4.6775609E-03 1.1795985E-03 3 3.7396930E+02 5.1125841E-02 -2.6221221E-02 6.6983381E-03 4 1.5736795E+02 1.7691568E-01 -9.2630713E-02 2.3479536E-02 5 7.1575006E+01 3.7048279E-01 -1.9342942E-01 4.9759591E-02 6 3.3960782E+01 4.1290807E-01 -1.7019140E-01 3.9731518E-02 7 1.6177684E+01 1.7481515E-01 2.0133343E-01 -6.4394214E-02 8 7.5654356E+00 1.6326640E-02 5.4627318E-01 -1.7407772E-01 9 3.3979838E+00 1.4165563E-03 3.6873504E-01 -5.1285614E-02 10 1.2649090E+00 -2.1022741E-04 5.1158710E-02 3.4261392E-01 11 4.5975074E-01 1.0782522E-04 -3.3821818E-03 5.4227825E-01 12 1.4403768E-01 -3.6522087E-05 1.2889797E-03 3.4343717E-01 4f- 1 3.0594019E+02 3.5847012E-03 2 1.0388323E+02 2.7369893E-02 3 4.3037783E+01 1.0647842E-01 4 1.9409545E+01 2.5430873E-01 5 8.9613755E+00 3.7160419E-01 6 4.0600364E+00 3.5514238E-01 7 1.7364771E+00 2.0419189E-01 8 6.4713929E-01 4.8344951E-02 4f+ 1 3.0594019E+02 3.1742420E-03 2 1.0388323E+02 2.5784694E-02 3 4.3037783E+01 1.0303031E-01 4 1.9409545E+01 2.4901870E-01 5 8.9613755E+00 3.6893055E-01 6 4.0600364E+00 3.5865883E-01 7 1.7364771E+00 2.1081061E-01 8 6.4713929E-01 5.2580602E-02 Small component functions ------------------------- 1s+ 2s+ 3s+ 4s+ 5s+ 6s+ 1 5.8855953E+07 -2.1235530E-04 8.0739862E-05 -3.8367119E-05 -1.8927281E-05 7.8063613E-06 2.2283743E-06 2 1.4470694E+07 -7.4877583E-04 2.8487947E-04 -1.3551355E-04 -6.6760110E-05 2.7546670E-05 7.8621770E-06 3 4.4041973E+06 -1.6153781E-03 6.1460183E-04 -2.9204877E-04 -1.4410626E-04 5.9431794E-05 1.6965561E-05 4 1.4577820E+06 -3.2767450E-03 1.2486423E-03 -5.9424469E-04 -2.9267651E-04 1.2077849E-04 3.4470619E-05 5 5.1754114E+05 -6.1978012E-03 2.3638325E-03 -1.1234772E-03 -5.5458936E-04 2.2870449E-04 6.5289081E-05 6 1.9372396E+05 -1.1290596E-02 4.3236718E-03 -2.0598979E-03 -1.0143823E-03 4.1866996E-04 1.1948615E-04 7 7.6066653E+04 -1.9682533E-02 7.5768701E-03 -3.6058875E-03 -1.7814213E-03 7.3460343E-04 2.0972215E-04 8 3.1153152E+04 -3.2746225E-02 1.2783792E-02 -6.1130436E-03 -3.0112193E-03 1.2432657E-03 3.5481161E-04 9 1.3257141E+04 -5.1074088E-02 2.0436475E-02 -9.7879684E-03 -4.8468772E-03 1.9990507E-03 5.7078531E-04 10 5.8401844E+03 -7.1892900E-02 3.0393852E-02 -1.4751784E-02 -7.2843572E-03 3.0108913E-03 8.5928004E-04 11 2.6548440E+03 -8.4727127E-02 3.9603049E-02 -1.9493177E-02 -9.7369719E-03 4.0203390E-03 1.1484163E-03 12 1.2416852E+03 -7.1569869E-02 4.0088835E-02 -2.0593525E-02 -1.0264076E-02 4.2605694E-03 1.2159863E-03 13 5.9426550E+02 -3.2921672E-02 1.7673065E-02 -8.9110737E-03 -4.5988066E-03 1.8917087E-03 5.4183493E-04 14 2.7638482E+02 -4.6380079E-03 -2.6398357E-02 1.9659309E-02 1.1070969E-02 -4.6634085E-03 -1.3391141E-03 15 1.3872571E+02 1.7313823E-04 -4.2253657E-02 4.2044360E-02 2.4409047E-02 -1.0543951E-02 -3.0242276E-03 16 7.1144414E+01 -8.7314171E-05 -1.6778695E-02 1.6422776E-02 1.1181747E-02 -4.8928704E-03 -1.4184288E-03 17 3.4488105E+01 3.5337459E-05 -1.2813173E-03 -2.6133939E-02 -2.7227403E-02 1.3259802E-02 3.8948184E-03 18 1.8020594E+01 -1.3329111E-05 5.5665825E-05 -1.7038970E-02 -2.1286859E-02 1.1230687E-02 3.3147518E-03 19 8.0425051E+00 4.0742665E-06 -1.1393731E-05 -1.3320427E-03 1.3338661E-02 -1.0174056E-02 -3.1578236E-03 20 3.9899702E+00 -1.3494060E-06 4.9247780E-06 6.5244566E-05 9.8981881E-03 -1.0049614E-02 -3.4133083E-03 21 1.3070749E+00 2.6793219E-07 -1.0289262E-06 -1.0869985E-05 3.6930432E-04 5.6034049E-03 2.5804533E-03 22 5.9274191E-01 -8.2145644E-08 3.3275636E-07 3.3105057E-06 -4.4326726E-05 3.0935786E-03 1.9780412E-03 23 1.2219365E-01 9.9730243E-09 -5.7771800E-08 -3.0600701E-07 4.0217421E-06 5.7475574E-05 -1.3538205E-03 24 4.5275958E-02 -2.6854077E-09 2.0899704E-08 6.2461956E-08 -9.8351633E-07 -5.7938466E-06 -7.9522995E-04 2p- 3p- 4p- 5p- 6p- 1 5.2075705E+06 -8.6281284E-05 4.3459385E-05 -2.1225295E-05 8.1164618E-06 -1.9442603E-06 2 7.8026719E+05 -2.9665427E-04 1.4956205E-04 -7.3019828E-05 2.7978946E-05 -6.6934887E-06 3 1.6169448E+05 -8.5137120E-04 4.3103474E-04 -2.1081726E-04 8.0563120E-05 -1.9310682E-05 4 4.0821139E+04 -2.3130415E-03 1.1745220E-03 -5.7424472E-04 2.2028664E-04 -5.2674159E-05 5 1.2070043E+04 -5.9273922E-03 3.0362691E-03 -1.4893156E-03 5.6909036E-04 -1.3647807E-04 6 4.0917336E+03 -1.3881440E-02 7.1856130E-03 -3.5282499E-03 1.3556762E-03 -3.2405986E-04 7 1.5539167E+03 -2.8300298E-02 1.5064870E-02 -7.4583080E-03 2.8529069E-03 -6.8474366E-04 8 6.4486190E+02 -4.6029385E-02 2.5541830E-02 -1.2745791E-02 4.9234004E-03 -1.1760886E-03 9 2.8542387E+02 -5.1265411E-02 3.0087518E-02 -1.5289196E-02 5.8526571E-03 -1.4098805E-03 10 1.3219925E+02 -2.9205223E-02 1.1519663E-02 -4.7767565E-03 1.8441780E-03 -4.2522881E-04 11 6.2106432E+01 -4.9320037E-03 -2.2175085E-02 1.6728917E-02 -7.1895318E-03 1.7136925E-03 12 3.0661775E+01 2.9328807E-04 -2.6273133E-02 2.1383641E-02 -8.8046686E-03 2.1789517E-03 13 1.5145455E+01 2.0615205E-04 -6.5144586E-03 -4.6917911E-03 2.9245416E-03 -8.1717240E-04 14 7.3104193E+00 1.3396729E-04 -2.2422817E-04 -1.5830413E-02 1.0339596E-02 -2.5329420E-03 15 3.4855280E+00 9.0533947E-05 -2.4371160E-05 -4.9513630E-03 1.1608252E-03 -3.4520234E-04 16 1.3404867E+00 4.6413071E-05 2.2259389E-06 -1.5183070E-04 -6.6995909E-03 2.3482889E-03 17 5.3558900E-01 2.9509894E-05 -1.3077567E-06 9.3191126E-06 -2.6257511E-03 6.2790984E-04 18 1.1851393E-01 1.3153622E-05 -2.0871039E-07 1.7047678E-06 -7.2613631E-05 -1.6817094E-03 19 3.7367081E-02 4.1714412E-06 -1.1185193E-07 7.6769873E-07 6.7066406E-06 -8.3603416E-04 2p+ 3p+ 4p+ 5p+ 6p+ 1 5.2075705E+06 -3.5308208E-06 1.8328132E-06 -9.0204716E-07 3.3253856E-07 -7.8495284E-08 2 7.8026719E+05 -2.7675873E-05 1.4247800E-05 -6.9266670E-06 2.6012025E-06 -6.0891281E-07 3 1.6169448E+05 -1.5977619E-04 8.2784519E-05 -4.0600014E-05 1.5051110E-05 -3.5438838E-06 4 4.0821139E+04 -7.3803517E-04 3.8138993E-04 -1.8599413E-04 6.9577811E-05 -1.6316589E-05 5 1.2070043E+04 -2.7712931E-03 1.4423175E-03 -7.0721182E-04 2.6284094E-04 -6.1826402E-05 6 4.0917336E+03 -8.4594697E-03 4.4362443E-03 -2.1723655E-03 8.1231049E-04 -1.9060581E-04 7 1.5539167E+03 -2.0833996E-02 1.1213431E-02 -5.5414729E-03 2.0637087E-03 -4.8545198E-04 8 6.4486190E+02 -3.9467702E-02 2.2142720E-02 -1.1018668E-02 4.1362381E-03 -9.7075143E-04 9 2.8542387E+02 -5.1110103E-02 3.0693865E-02 -1.5616733E-02 5.8383721E-03 -1.3755059E-03 10 1.3219925E+02 -3.5394425E-02 1.8767757E-02 -9.0033048E-03 3.3995867E-03 -7.9277581E-04 11 6.2106432E+01 -8.5893965E-03 -1.5100956E-02 1.1736358E-02 -4.9044275E-03 1.1538263E-03 12 3.0661775E+01 -1.8867723E-04 -2.7626987E-02 2.2725804E-02 -9.2247189E-03 2.2094639E-03 13 1.5145455E+01 -7.0111765E-05 -8.9808671E-03 3.4442565E-04 4.0896733E-04 -1.4591536E-04 14 7.3104193E+00 2.7126139E-05 -4.7349542E-04 -1.5278579E-02 9.2734232E-03 -2.2558460E-03 15 3.4855280E+00 -7.2868866E-06 -2.8625740E-05 -6.5715399E-03 3.2201849E-03 -8.2799582E-04 16 1.3404867E+00 1.6473770E-06 4.2267648E-06 -3.3401126E-04 -5.7264710E-03 1.8280366E-03 17 5.3558900E-01 -3.8320031E-07 -8.7131573E-07 1.4777322E-05 -3.3777478E-03 1.0722582E-03 18 1.1851393E-01 4.3302907E-08 1.2422765E-07 -1.6157563E-06 -1.4860115E-04 -1.3105595E-03 19 3.7367081E-02 -8.2797295E-09 -2.6532746E-08 3.4124421E-07 1.5850992E-05 -1.0482524E-03 3d- 4d- 5d- 1 3.7564113E+03 -6.2068357E-04 3.1319238E-04 -8.2043351E-05 2 1.0219834E+03 -3.1804695E-03 1.6137026E-03 -4.1786680E-04 3 3.7396930E+02 -1.0226697E-02 5.2609613E-03 -1.3809358E-03 4 1.5736795E+02 -2.2301830E-02 1.1697882E-02 -3.0431286E-03 5 7.1575006E+01 -3.0582819E-02 1.5936381E-02 -4.2131313E-03 6 3.3960782E+01 -2.2553543E-02 8.8696745E-03 -2.0765148E-03 7 1.6177684E+01 -6.2232996E-03 -8.7978723E-03 2.8563629E-03 8 7.5654356E+00 -3.4861012E-04 -1.4605307E-02 4.8054623E-03 9 3.3979838E+00 -1.3653134E-05 -6.1570958E-03 6.2133493E-04 10 1.2649090E+00 5.4850495E-06 -4.7385664E-04 -4.0406727E-03 11 4.5975074E-01 1.9215595E-07 1.8583188E-05 -3.5422101E-03 12 1.4403768E-01 4.2187975E-07 -3.6659190E-06 -1.1304111E-03 3d+ 4d+ 5d+ 1 3.7564113E+03 -4.5919558E-04 2.3062856E-04 -5.8870815E-05 2 1.0219834E+03 -2.6865364E-03 1.3573368E-03 -3.4210289E-04 3 3.7396930E+02 -9.2996068E-03 4.7616179E-03 -1.2161904E-03 4 1.5736795E+02 -2.1204449E-02 1.1086779E-02 -2.8094937E-03 5 7.1575006E+01 -3.0158424E-02 1.5729407E-02 -4.0458620E-03 6 3.3960782E+01 -2.3227558E-02 9.5736682E-03 -2.2355339E-03 7 1.6177684E+01 -6.7973562E-03 -7.8024410E-03 2.4952752E-03 8 7.5654356E+00 -4.3374891E-04 -1.4502399E-02 4.6206381E-03 9 3.3979838E+00 -2.5406795E-05 -6.5625496E-03 9.1295094E-04 10 1.2649090E+00 2.3493456E-06 -5.5559907E-04 -3.7195106E-03 11 4.5975074E-01 -7.3057608E-07 2.2158589E-05 -3.5494909E-03 12 1.4403768E-01 1.4079479E-07 -4.7274594E-06 -1.2582586E-03 4f- 1 3.0594019E+02 -6.3950634E-04 2 1.0388323E+02 -2.9881718E-03 3 4.3037783E+01 -7.5805154E-03 4 1.9409545E+01 -1.2220833E-02 5 8.9613755E+00 -1.2157480E-02 6 4.0600364E+00 -7.8272277E-03 7 1.7364771E+00 -2.9437999E-03 8 6.4713929E-01 -4.2539031E-04 4f+ 1 3.0594019E+02 -5.9114950E-04 2 1.0388323E+02 -2.8484966E-03 3 4.3037783E+01 -7.3694859E-03 4 1.9409545E+01 -1.1992538E-02 5 8.9613755E+00 -1.2083401E-02 6 4.0600364E+00 -7.9096281E-03 7 1.7364771E+00 -3.0407911E-03 8 6.4713929E-01 -4.6301992E-04 ** Os 192 ** Large component functions ------------------------- 1s+ 2s+ 3s+ 4s+ 5s+ 6s+ 1 5.8412526E+07 1.7274903E-04 -6.6167719E-05 3.1525600E-05 1.5597211E-05 -6.5184441E-06 -1.8738786E-06 2 1.4450381E+07 4.4215856E-04 -1.7001715E-04 8.1072921E-05 4.0103641E-05 -1.6762728E-05 -4.8186740E-06 3 4.4283945E+06 9.9018616E-04 -3.8248483E-04 1.8246242E-04 9.0316111E-05 -3.7746066E-05 -1.0851318E-05 4 1.4748376E+06 2.0918684E-03 -8.1420109E-04 3.8905907E-04 1.9250514E-04 -8.0478455E-05 -2.3134490E-05 5 5.2637938E+05 4.3935106E-03 -1.7259925E-03 8.2543413E-04 4.0894673E-04 -1.7092203E-04 -4.9139715E-05 6 1.9786382E+05 9.2195371E-03 -3.6695420E-03 1.7601139E-03 8.7131654E-04 -3.6438031E-04 -1.0474417E-04 7 7.7951635E+04 1.9463989E-02 -7.8640259E-03 3.7763358E-03 1.8738299E-03 -7.8323875E-04 -2.2520135E-04 8 3.2006794E+04 4.0949464E-02 -1.6909044E-02 8.1622841E-03 4.0437388E-03 -1.6920169E-03 -4.8637258E-04 9 1.3646723E+04 8.3996463E-02 -3.5748083E-02 1.7304981E-02 8.6118970E-03 -3.6003657E-03 -1.0353799E-03 10 6.0203176E+03 1.6026164E-01 -7.2190999E-02 3.5401317E-02 1.7581615E-02 -7.3658918E-03 -2.1173273E-03 11 2.7394674E+03 2.6153651E-01 -1.3000068E-01 6.4621814E-02 3.2439293E-02 -1.3574841E-02 -3.9056358E-03 12 1.2821313E+03 3.1013720E-01 -1.8328062E-01 9.4864456E-02 4.7514545E-02 -1.9992457E-02 -5.7467777E-03 13 6.1396017E+02 2.0231322E-01 -1.1044526E-01 5.5118390E-02 2.8482856E-02 -1.1845452E-02 -3.4179860E-03 14 2.8609314E+02 4.1765663E-02 2.5530096E-01 -1.9310688E-01 -1.0936174E-01 4.6696374E-02 1.3509172E-02 15 1.4366391E+02 -2.0829634E-03 5.6373653E-01 -5.6659558E-01 -3.3089361E-01 1.4501018E-01 4.1898795E-02 16 7.3735728E+01 1.5083530E-03 3.1285032E-01 -3.0705492E-01 -2.0931617E-01 9.2676206E-02 2.7076711E-02 17 3.5802096E+01 -8.7926378E-04 3.4395716E-02 7.0252172E-01 7.3710831E-01 -3.6428025E-01 -1.0790095E-01 18 1.8726246E+01 4.5732427E-04 -1.9236001E-03 6.3544755E-01 7.9767568E-01 -4.2803185E-01 -1.2742827E-01 19 8.3827410E+00 -2.1017114E-04 5.3702247E-04 7.5592310E-02 -7.4000349E-01 5.7678011E-01 1.8098695E-01 20 4.1820580E+00 9.9405217E-05 -3.2558840E-04 -5.4597931E-03 -7.8941903E-01 8.1636504E-01 2.8085298E-01 21 1.3926681E+00 -3.3990561E-05 1.0215010E-04 1.6096198E-03 -5.2282003E-02 -7.8777437E-01 -3.7256111E-01 22 6.3246082E-01 1.4968048E-05 -3.9706906E-05 -7.3789249E-04 8.9876865E-03 -6.3705612E-01 -4.0112185E-01 23 1.3153130E-01 -3.6883179E-06 1.0191005E-05 1.6432697E-04 -1.7682068E-03 -2.6034124E-02 6.0979253E-01 24 4.8024600E-02 1.4738409E-06 -4.1692252E-06 -6.3950475E-05 6.9681175E-04 4.1612450E-03 5.9532767E-01 2p- 3p- 4p- 5p- 6p- 1 5.6309740E+06 2.6436260E-04 -1.3324298E-04 6.5306080E-05 -2.5406617E-05 6.0785898E-06 2 8.4956432E+05 7.9835962E-04 -4.0252481E-04 1.9729413E-04 -7.6767230E-05 1.8365024E-05 3 1.7643582E+05 2.1296601E-03 -1.0750860E-03 5.2716558E-04 -2.0506115E-04 4.9068861E-05 4 4.4505373E+04 5.4255313E-03 -2.7463659E-03 1.3471235E-03 -5.2451438E-04 1.2544344E-04 5 1.3113904E+04 1.4116283E-02 -7.2005069E-03 3.5404351E-03 -1.3767394E-03 3.2965059E-04 6 4.4234777E+03 3.8322412E-02 -1.9797346E-02 9.7526562E-03 -3.8060300E-03 9.0959568E-04 7 1.6714751E+03 1.0253840E-01 -5.4462189E-02 2.7051197E-02 -1.0524479E-02 2.5233567E-03 8 6.9068510E+02 2.3566341E-01 -1.3039494E-01 6.5253028E-02 -2.5613123E-02 6.1151172E-03 9 3.0466843E+02 3.8434803E-01 -2.2428435E-01 1.1431122E-01 -4.4500169E-02 1.0709936E-02 10 1.4076904E+02 3.2976048E-01 -1.3580549E-01 5.7990283E-02 -2.2759322E-02 5.2696909E-03 11 6.6110448E+01 9.3267359E-02 3.2607395E-01 -2.4823875E-01 1.0874120E-01 -2.5902060E-02 12 3.2617694E+01 1.9079693E-03 5.8544377E-01 -4.8105816E-01 2.0209012E-01 -4.9999554E-02 13 1.6164003E+01 1.0923345E-03 2.1847295E-01 1.2088700E-01 -8.0315691E-02 2.2917385E-02 14 7.7760646E+00 -5.7932302E-04 1.2238433E-02 7.2163784E-01 -4.8120968E-01 1.1823480E-01 15 3.7142065E+00 1.9397240E-04 1.2837912E-03 3.3985964E-01 -9.0164809E-02 2.6097433E-02 16 1.4327260E+00 -6.9782628E-05 -2.9804467E-04 1.8158406E-02 7.1836197E-01 -2.5447102E-01 17 5.7351019E-01 2.6686892E-05 8.6699746E-05 -8.7322522E-04 4.3756247E-01 -9.7874533E-02 18 1.2613181E-01 -6.4467821E-06 -2.6533448E-05 1.7834876E-04 2.4922677E-02 5.9897559E-01 19 3.9102623E-02 2.4012715E-06 9.7850055E-06 -6.8140871E-05 -4.1810998E-03 5.3039963E-01 2p+ 3p+ 4p+ 5p+ 6p+ 1 5.6309740E+06 1.5609455E-06 -8.1095542E-07 3.9920679E-07 -1.5090061E-07 3.5113057E-08 2 8.4956432E+05 1.4157984E-05 -7.3504928E-06 3.6021665E-06 -1.3704078E-06 3.1793077E-07 3 1.7643582E+05 1.0361767E-04 -5.4072410E-05 2.6638174E-05 -1.0075714E-05 2.3441203E-06 4 4.4505373E+04 6.6560205E-04 -3.4778732E-04 1.7075336E-04 -6.4947258E-05 1.5071878E-05 5 1.3113904E+04 3.7110442E-03 -1.9531930E-03 9.6383832E-04 -3.6489489E-04 8.4878516E-05 6 4.4234777E+03 1.7307332E-02 -9.1848722E-03 4.5269332E-03 -1.7227178E-03 3.9986807E-04 7 1.6714751E+03 6.5233807E-02 -3.5473959E-02 1.7642785E-02 -6.6900723E-03 1.5565188E-03 8 6.9068510E+02 1.8769376E-01 -1.0621917E-01 5.3150464E-02 -2.0305426E-02 4.7137954E-03 9 3.0466843E+02 3.6665934E-01 -2.2155099E-01 1.1334735E-01 -4.3144105E-02 1.0053747E-02 10 1.4076904E+02 3.8304619E-01 -2.0926663E-01 1.0167467E-01 -3.9075390E-02 9.0186942E-03 11 6.6110448E+01 1.4289411E-01 2.1220141E-01 -1.6783949E-01 7.1654753E-02 -1.6675929E-02 12 3.2617694E+01 5.4370535E-03 6.1046275E-01 -5.0529183E-01 2.0924037E-01 -4.9597666E-02 13 1.6164003E+01 2.3709323E-03 3.0088364E-01 -4.3871283E-02 2.4197538E-03 9.4124510E-04 14 7.7760646E+00 -1.3262438E-03 2.5842174E-02 6.8712592E-01 -4.2598822E-01 1.0278234E-01 15 3.7142065E+00 5.2970235E-04 1.5364543E-03 4.5045669E-01 -2.3199812E-01 5.8963054E-02 16 1.4327260E+00 -1.9622022E-04 -3.3916241E-04 3.8287445E-02 6.1199856E-01 -1.9528547E-01 17 5.7351019E-01 7.3677453E-05 1.0030241E-04 -2.6913763E-03 5.6775989E-01 -1.7480823E-01 18 1.2613181E-01 -1.8411340E-05 -3.2973769E-05 6.2724229E-04 5.1869619E-02 4.6131721E-01 19 3.9102623E-02 6.8443125E-06 1.2171669E-05 -2.3198561E-04 -9.8210583E-03 6.7032821E-01 3d- 4d- 5d- 1 3.9420044E+03 1.6892676E-03 -8.5777888E-04 2.3550103E-04 2 1.0694209E+03 1.1919249E-02 -6.0919216E-03 1.6590093E-03 3 3.9070489E+02 5.7482482E-02 -2.9781004E-02 8.2119680E-03 4 1.6428067E+02 1.8675223E-01 -9.8665458E-02 2.6979844E-02 5 7.4716419E+01 3.7663226E-01 -1.9765211E-01 5.4903802E-02 6 3.5471428E+01 4.0436501E-01 -1.6128132E-01 3.9725383E-02 7 1.6926909E+01 1.6441561E-01 2.2335501E-01 -7.6918003E-02 8 7.9370940E+00 1.4592472E-02 5.5081700E-01 -1.9163282E-01 9 3.5902832E+00 1.2940143E-03 3.4733004E-01 -3.6912515E-02 10 1.3590704E+00 -2.2225185E-04 4.4268936E-02 3.8632797E-01 11 5.0188370E-01 1.0365737E-04 -2.5829019E-03 5.3940538E-01 12 1.5969932E-01 -3.6169591E-05 1.0377705E-03 2.9114028E-01 3d+ 4d+ 5d+ 1 3.9420044E+03 8.7041517E-04 -4.4129292E-04 1.1825041E-04 2 1.0694209E+03 9.0084762E-03 -4.5954894E-03 1.2172861E-03 3 3.9070489E+02 5.0101160E-02 -2.5886477E-02 6.9459405E-03 4 1.6428067E+02 1.7444261E-01 -9.2044122E-02 2.4510529E-02 5 7.4716419E+01 3.6812180E-01 -1.9376942E-01 5.2364645E-02 6 3.5471428E+01 4.1429908E-01 -1.7357778E-01 4.2637884E-02 7 1.6926909E+01 1.7819876E-01 1.9675825E-01 -6.6784966E-02 8 7.9370940E+00 1.7186331E-02 5.4634853E-01 -1.8404125E-01 9 3.5902832E+00 1.4110757E-03 3.7040080E-01 -5.4595293E-02 10 1.3590704E+00 -2.1945853E-04 5.1831344E-02 3.5524374E-01 11 5.0188370E-01 1.0776927E-04 -3.1692932E-03 5.4160392E-01 12 1.5969932E-01 -3.8147517E-05 1.2865585E-03 3.2767173E-01 4f- 1 3.2939526E+02 3.3609751E-03 2 1.1185831E+02 2.5945964E-02 3 4.6468874E+01 1.0238933E-01 4 2.1026666E+01 2.4908600E-01 5 9.7680169E+00 3.7069755E-01 6 4.4663327E+00 3.5829769E-01 7 1.9354927E+00 2.0481404E-01 8 7.3285164E-01 4.7406806E-02 4f+ 1 3.2939526E+02 2.9574933E-03 2 1.1185831E+02 2.4375595E-02 3 4.6468874E+01 9.8960494E-02 4 2.1026666E+01 2.4381050E-01 5 9.7680169E+00 3.6791236E-01 6 4.4663327E+00 3.6187054E-01 7 1.9354927E+00 2.1134366E-01 8 7.3285164E-01 5.1386662E-02 Small component functions ------------------------- 1s+ 2s+ 3s+ 4s+ 5s+ 6s+ 1 5.8412526E+07 -2.2340988E-04 8.5330222E-05 -4.0622235E-05 -2.0106424E-05 8.4011542E-06 2.4152530E-06 2 1.4450381E+07 -7.8522024E-04 3.0010087E-04 -1.4301091E-04 -7.0690593E-05 2.9551065E-05 8.4942870E-06 3 4.4283945E+06 -1.6825139E-03 6.4307616E-04 -3.0613596E-04 -1.5156013E-04 6.3322997E-05 1.8205224E-05 4 1.4748376E+06 -3.3950873E-03 1.2996492E-03 -6.1963626E-04 -3.0620953E-04 1.2802209E-04 3.6797914E-05 5 5.2637938E+05 -6.3887394E-03 2.4479112E-03 -1.1655677E-03 -5.7728169E-04 2.4117226E-04 6.9339341E-05 6 1.9786382E+05 -1.1588875E-02 4.4583178E-03 -2.1278993E-03 -1.0514043E-03 4.3965261E-04 1.2636683E-04 7 7.7951635E+04 -2.0122856E-02 7.7823110E-03 -3.7104927E-03 -1.8391967E-03 7.6832750E-04 2.2091540E-04 8 3.2006794E+04 -3.3363905E-02 1.3083956E-02 -6.2679593E-03 -3.0979872E-03 1.2959223E-03 3.7246829E-04 9 1.3646723E+04 -5.1878808E-02 2.0849128E-02 -1.0004026E-02 -4.9703201E-03 2.0766886E-03 5.9718953E-04 10 6.0203176E+03 -7.2850601E-02 3.0912809E-02 -1.5030107E-02 -7.4470466E-03 3.1187654E-03 8.9639079E-04 11 2.7394674E+03 -8.5737200E-02 4.0169207E-02 -1.9804913E-02 -9.9251892E-03 4.1513110E-03 1.1943296E-03 12 1.2821313E+03 -7.2467045E-02 4.0536088E-02 -2.0847390E-02 -1.0425370E-02 4.3852304E-03 1.2604354E-03 13 6.1396017E+02 -3.3468964E-02 1.7768529E-02 -8.9380108E-03 -4.6232621E-03 1.9245750E-03 5.5530839E-04 14 2.8609314E+02 -4.7726711E-03 -2.6780727E-02 2.0018196E-02 1.1315649E-02 -4.8284136E-03 -1.3968312E-03 15 1.4366391E+02 1.7113286E-04 -4.2886394E-02 4.2708919E-02 2.4898022E-02 -1.0907018E-02 -3.1512077E-03 16 7.3735728E+01 -8.8489645E-05 -1.7127684E-02 1.6781466E-02 1.1445528E-02 -5.0693743E-03 -1.4811011E-03 17 3.5802096E+01 3.5978153E-05 -1.3228736E-03 -2.6525751E-02 -2.7772760E-02 1.3718931E-02 4.0633932E-03 18 1.8726246E+01 -1.3647391E-05 5.7650533E-05 -1.7425670E-02 -2.1840631E-02 1.1718466E-02 3.4886063E-03 19 8.3827410E+00 4.2269293E-06 -1.2034025E-05 -1.3830047E-03 1.3536250E-02 -1.0543990E-02 -3.3081999E-03 20 4.1820580E+00 -1.4196928E-06 5.2081478E-06 6.9097220E-05 1.0207033E-02 -1.0551861E-02 -3.6300976E-03 21 1.3926681E+00 2.8565484E-07 -1.1007532E-06 -1.1466433E-05 3.9035777E-04 5.8747435E-03 2.7781102E-03 22 6.3246082E-01 -8.6745386E-08 3.5098082E-07 3.4615875E-06 -4.5294401E-05 3.2021762E-03 2.0161008E-03 23 1.3153130E-01 1.0486846E-08 -6.0059541E-08 -3.1491978E-07 4.0783336E-06 5.9642512E-05 -1.3976367E-03 24 4.8024600E-02 -2.7834163E-09 2.1313989E-08 6.2144445E-08 -9.7543069E-07 -5.7503772E-06 -8.2448693E-04 2p- 3p- 4p- 5p- 6p- 1 5.6309740E+06 -8.8036339E-05 4.4435847E-05 -2.1792197E-05 8.4727285E-06 -2.0280980E-06 2 8.4956432E+05 -3.0079578E-04 1.5197781E-04 -7.4496900E-05 2.9021124E-05 -6.9377267E-06 3 1.7643582E+05 -8.5565291E-04 4.3406176E-04 -2.1318979E-04 8.2835225E-05 -1.9840603E-05 4 4.4505373E+04 -2.3052578E-03 1.1730827E-03 -5.7580368E-04 2.2456979E-04 -5.3658598E-05 5 1.3113904E+04 -5.8776350E-03 3.0163726E-03 -1.4858356E-03 5.7727646E-04 -1.3834108E-04 6 4.4234777E+03 -1.3750260E-02 7.1303200E-03 -3.5144535E-03 1.3728994E-03 -3.2793200E-04 7 1.6714751E+03 -2.8129005E-02 1.4983932E-02 -7.4485215E-03 2.8968720E-03 -6.9480264E-04 8 6.9068510E+02 -4.6181208E-02 2.5625551E-02 -1.2829611E-02 5.0379914E-03 -1.2025855E-03 9 3.0466843E+02 -5.2383672E-02 3.0734319E-02 -1.5684211E-02 6.1059682E-03 -1.4698054E-03 10 1.4076904E+02 -3.0827013E-02 1.2870900E-02 -5.5282581E-03 2.1740125E-03 -5.0334356E-04 11 6.6110448E+01 -5.5243371E-03 -2.1613189E-02 1.6384424E-02 -7.1727535E-03 1.7083139E-03 12 3.2617694E+01 2.9458423E-04 -2.7316660E-02 2.2414375E-02 -9.4157747E-03 2.3295043E-03 13 1.6164003E+01 2.1729730E-04 -7.1877728E-03 -3.9186149E-03 2.6098866E-03 -7.4555424E-04 14 7.7760646E+00 1.4551607E-04 -2.8190860E-04 -1.6398397E-02 1.0936435E-02 -2.6870873E-03 15 3.7142065E+00 9.6009020E-05 -2.2258625E-05 -5.3303092E-03 1.4149789E-03 -4.0981827E-04 16 1.4327260E+00 4.9819287E-05 1.8721958E-06 -1.6933931E-04 -7.0165278E-03 2.4852183E-03 17 5.7351019E-01 3.1745652E-05 -1.1965374E-06 1.0571446E-05 -2.7045145E-03 6.0502544E-04 18 1.2613181E-01 1.4205088E-05 -2.2117411E-07 1.7996431E-06 -7.2580211E-05 -1.7354296E-03 19 3.9102623E-02 4.4430734E-06 -1.0807950E-07 8.3212932E-07 6.6293891E-06 -8.5566493E-04 2p+ 3p+ 4p+ 5p+ 6p+ 1 5.6309740E+06 -3.3874393E-06 1.7626960E-06 -8.7254169E-07 3.2731647E-07 -7.6436151E-08 2 8.4956432E+05 -2.6359274E-05 1.3616372E-05 -6.6437077E-06 2.5388785E-06 -5.8771406E-07 3 1.7643582E+05 -1.5186204E-04 7.8897410E-05 -3.8891230E-05 1.4671451E-05 -3.4170736E-06 4 4.4505373E+04 -7.0292316E-04 3.6438448E-04 -1.7842747E-04 6.7920228E-05 -1.5752393E-05 5 1.3113904E+04 -2.6565481E-03 1.3861542E-03 -6.8291445E-04 2.5828562E-04 -6.0092851E-05 6 4.4234777E+03 -8.1825199E-03 4.3016054E-03 -2.1150976E-03 8.0475182E-04 -1.8675991E-04 7 1.6714751E+03 -2.0373452E-02 1.0979174E-02 -5.4497214E-03 2.0653238E-03 -4.8052806E-04 8 6.9068510E+02 -3.9170475E-02 2.1985878E-02 -1.0980717E-02 4.1937352E-03 -9.7347390E-04 9 3.0466843E+02 -5.1863801E-02 3.1126434E-02 -1.5902903E-02 6.0513093E-03 -1.4100989E-03 10 1.4076904E+02 -3.7215496E-02 2.0267562E-02 -9.8520215E-03 3.7866061E-03 -8.7400283E-04 11 6.6110448E+01 -9.5543294E-03 -1.3963267E-02 1.1030963E-02 -4.7089117E-03 1.0957756E-03 12 3.2617694E+01 -2.5654129E-04 -2.8450758E-02 2.3517373E-02 -9.7365628E-03 2.3078814E-03 13 1.6164003E+01 -7.7984998E-05 -9.8882806E-03 1.4565790E-03 -8.9081081E-05 -2.8493975E-05 14 7.7760646E+00 3.0163704E-05 -5.8881724E-04 -1.5631478E-02 9.6876342E-03 -2.3373411E-03 15 3.7142065E+00 -8.2805193E-06 -2.4310355E-05 -7.0852974E-03 3.6487540E-03 -9.2735171E-04 16 1.4327260E+00 1.8859144E-06 3.3588473E-06 -3.7408506E-04 -5.9762550E-03 1.9069147E-03 17 5.7351019E-01 -4.4138507E-07 -6.3532092E-07 1.6646391E-05 -3.5081340E-03 1.0800953E-03 18 1.2613181E-01 4.9459254E-08 9.9046566E-08 -1.8204222E-06 -1.5029394E-04 -1.3366875E-03 19 3.9102623E-02 -9.5093793E-09 -2.0894318E-08 3.7521663E-07 1.5842465E-05 -1.0814624E-03 3d- 4d- 5d- 1 3.9420044E+03 -6.2034046E-04 3.1530002E-04 -8.6787968E-05 2 1.0694209E+03 -3.1828803E-03 1.6271491E-03 -4.4278827E-04 3 3.9070489E+02 -1.0267677E-02 5.3201482E-03 -1.4674683E-03 4 1.6428067E+02 -2.2500858E-02 1.1891284E-02 -3.2513816E-03 5 7.4716419E+01 -3.1068340E-02 1.6317164E-02 -4.5334973E-03 6 3.5471428E+01 -2.3120762E-02 9.2429655E-03 -2.2781289E-03 7 1.6926909E+01 -6.4791682E-03 -8.8488729E-03 3.0465024E-03 8 7.9370940E+00 -3.7487502E-04 -1.4968666E-02 5.2077834E-03 9 3.5902832E+00 -1.3541417E-05 -6.3494793E-03 6.7562983E-04 10 1.3590704E+00 5.9446127E-06 -4.9644272E-04 -4.3468970E-03 11 5.0188370E-01 2.5584893E-07 1.8134858E-05 -3.6887103E-03 12 1.5969932E-01 4.7404358E-07 -3.8198653E-06 -1.1230732E-03 3d+ 4d+ 5d+ 1 3.9420044E+03 -4.5426252E-04 2.2983974E-04 -6.1622487E-05 2 1.0694209E+03 -2.6725237E-03 1.3607018E-03 -3.6021802E-04 3 3.9070489E+02 -9.3044050E-03 4.7991316E-03 -1.2875021E-03 4 1.6428067E+02 -2.1351809E-02 1.1249783E-02 -2.9948966E-03 5 7.4716419E+01 -3.0611329E-02 1.6095556E-02 -4.3490973E-03 6 3.5471428E+01 -2.3817796E-02 9.9783875E-03 -2.4516983E-03 7 1.6926909E+01 -7.0878516E-03 -7.7986077E-03 2.6467978E-03 8 7.9370940E+00 -4.6769536E-04 -1.4856189E-02 5.0035365E-03 9 3.5902832E+00 -2.6029970E-05 -6.7762317E-03 9.9901922E-04 10 1.3590704E+00 2.5450046E-06 -5.8349132E-04 -3.9975745E-03 11 5.0188370E-01 -7.6515784E-07 2.1696860E-05 -3.7039602E-03 12 1.5969932E-01 1.5512233E-07 -4.9687792E-06 -1.2640818E-03 4f- 1 3.2939526E+02 -6.1900672E-04 2 1.1185831E+02 -2.9343733E-03 3 4.6468874E+01 -7.5689855E-03 4 2.1026666E+01 -1.2454713E-02 5 9.7680169E+00 -1.2660122E-02 6 4.4663327E+00 -8.2819471E-03 7 1.9354927E+00 -3.1172275E-03 8 7.3285164E-01 -4.4384620E-04 4f+ 1 3.2939526E+02 -5.7042602E-04 2 1.1185831E+02 -2.7921252E-03 3 4.6468874E+01 -7.3525701E-03 4 2.1026666E+01 -1.2219329E-02 5 9.7680169E+00 -1.2580091E-02 6 4.4663327E+00 -8.3701370E-03 7 1.9354927E+00 -3.2184578E-03 8 7.3285164E-01 -4.8154326E-04 ** Ir 193 ** Large component functions ------------------------- 1s+ 2s+ 3s+ 4s+ 5s+ 6s+ 1 5.8624044E+07 1.8307364E-04 -7.0445903E-05 3.3623342E-05 1.6690653E-05 -7.0604077E-06 -2.0389673E-06 2 1.4573345E+07 4.6573212E-04 -1.7991509E-04 8.5945009E-05 4.2656265E-05 -1.8047097E-05 -5.2116387E-06 3 4.4908758E+06 1.0356982E-03 -4.0194497E-04 1.9208891E-04 9.5399047E-05 -4.0356066E-05 -1.1654739E-05 4 1.5030825E+06 2.1721215E-03 -8.4945889E-04 4.0663593E-04 2.0187925E-04 -8.5427209E-05 -2.4669559E-05 5 5.3875119E+05 4.5294482E-03 -1.7880519E-03 8.5667650E-04 4.2584641E-04 -1.8015291E-04 -5.2030604E-05 6 2.0318940E+05 9.4344334E-03 -3.7738611E-03 1.8134886E-03 9.0078209E-04 -3.8130502E-04 -1.1011177E-04 7 8.0255242E+04 1.9771983E-02 -8.0302766E-03 3.8635155E-03 1.9235266E-03 -8.1379794E-04 -2.3505882E-04 8 3.3014427E+04 4.1311007E-02 -1.7150037E-02 8.2944801E-03 4.1233099E-03 -1.7464381E-03 -5.0431985E-04 9 1.4094928E+04 8.4230554E-02 -3.6041887E-02 1.7481488E-02 8.7290119E-03 -3.6936913E-03 -1.0670808E-03 10 6.2234292E+03 1.5997332E-01 -7.2410466E-02 3.5575865E-02 1.7729239E-02 -7.5190365E-03 -2.1712859E-03 11 2.8333323E+03 2.6039425E-01 -1.2987461E-01 6.4671749E-02 3.2571926E-02 -1.3795359E-02 -3.9872638E-03 12 1.3263760E+03 3.0893571E-01 -1.8247725E-01 9.4555726E-02 4.7518754E-02 -2.0242560E-02 -5.8455506E-03 13 6.3523165E+02 2.0253763E-01 -1.0959043E-01 5.4545081E-02 2.8244481E-02 -1.1875520E-02 -3.4421076E-03 14 2.9645041E+02 4.2373633E-02 2.5390203E-01 -1.9275889E-01 -1.0958422E-01 4.7357283E-02 1.3764862E-02 15 1.4890504E+02 -2.0256903E-03 5.6223464E-01 -5.6538459E-01 -3.3151866E-01 1.4719897E-01 4.2739680E-02 16 7.6470799E+01 1.5082174E-03 3.1425644E-01 -3.0911355E-01 -2.1103817E-01 9.4490281E-02 2.7737484E-02 17 3.7168731E+01 -8.8213245E-04 3.4985821E-02 6.9933239E-01 7.3735687E-01 -3.6926289E-01 -1.0997885E-01 18 1.9458742E+01 4.6133530E-04 -1.9791184E-03 6.3796729E-01 8.0344532E-01 -4.3806300E-01 -1.3125353E-01 19 8.7325237E+00 -2.1440990E-04 5.6564324E-04 7.6934533E-02 -7.3576314E-01 5.8538937E-01 1.8530623E-01 20 4.3807576E+00 1.0245907E-04 -3.4028060E-04 -5.6728552E-03 -7.9484711E-01 8.3556752E-01 2.9010879E-01 21 1.4813434E+00 -3.5096197E-05 1.0737905E-04 1.6495902E-03 -5.3442657E-02 -7.9951374E-01 -3.8610459E-01 22 6.7303921E-01 1.5247644E-05 -4.1192513E-05 -7.4810894E-04 8.8596946E-03 -6.3840290E-01 -3.9540764E-01 23 1.4069657E-01 -3.7027466E-06 1.0412978E-05 1.6367433E-04 -1.7247360E-03 -2.5933044E-02 6.0703190E-01 24 5.0684820E-02 1.4596061E-06 -4.2092982E-06 -6.2707827E-05 6.7130671E-04 4.0311429E-03 5.9833329E-01 2p- 3p- 4p- 5p- 6p- 1 6.0994064E+06 2.6699474E-04 -1.3485002E-04 6.6363653E-05 -2.6215548E-05 6.2500598E-06 2 9.2634966E+05 8.0368068E-04 -4.0605127E-04 1.9983322E-04 -7.8951892E-05 1.8821250E-05 3 1.9277954E+05 2.1317174E-03 -1.0782903E-03 5.3089575E-04 -2.0969369E-04 5.0000517E-05 4 4.8588029E+04 5.3887083E-03 -2.7330473E-03 1.3459719E-03 -5.3211620E-04 1.2681575E-04 5 1.4268191E+04 1.3873911E-02 -7.0882575E-03 3.4994032E-03 -1.3817843E-03 3.2968697E-04 6 4.7887390E+03 3.7271959E-02 -1.9282538E-02 9.5352424E-03 -3.7781800E-03 8.9979043E-04 7 1.8002122E+03 9.9283819E-02 -5.2755792E-02 2.6307496E-02 -1.0393021E-02 2.4830370E-03 8 7.4060396E+02 2.2939626E-01 -1.2690734E-01 6.3715517E-02 -2.5390880E-02 6.0410101E-03 9 3.2555172E+02 3.8051169E-01 -2.2189391E-01 1.1355792E-01 -4.4898720E-02 1.0767116E-02 10 1.5005170E+02 3.3719717E-01 -1.4610958E-01 6.4300729E-02 -2.5669285E-02 5.9474913E-03 11 7.0477700E+01 1.0076551E-01 3.0558749E-01 -2.3401461E-01 1.0431798E-01 -2.4760873E-02 12 3.4738384E+01 2.5659313E-03 5.8941841E-01 -4.8802459E-01 2.0885189E-01 -5.1500430E-02 13 1.7263171E+01 1.1984065E-03 2.3367528E-01 9.1268702E-02 -6.6582346E-02 1.9518873E-02 14 8.2690088E+00 -6.3782698E-04 1.4820081E-02 7.2407104E-01 -4.9233632E-01 1.2101771E-01 15 3.9551875E+00 2.2181111E-04 1.0582867E-03 3.5428360E-01 -1.0445677E-01 2.9468267E-02 16 1.5285759E+00 -8.0011910E-05 -2.3571214E-04 1.9539811E-02 7.2700119E-01 -2.5896500E-01 17 6.1254467E-01 3.0680509E-05 6.0226929E-05 -9.9475483E-04 4.3603024E-01 -9.1361919E-02 18 1.3370078E-01 -7.2839777E-06 -2.0450633E-05 2.0620989E-04 2.4138677E-02 5.9827500E-01 19 4.0784437E-02 2.6880764E-06 7.4407544E-06 -7.7272958E-05 -4.0548726E-03 5.3155677E-01 2p+ 3p+ 4p+ 5p+ 6p+ 1 6.0994064E+06 1.5055052E-06 -7.8425649E-07 3.8794487E-07 -1.4901005E-07 3.4207577E-08 2 9.2634966E+05 1.3445790E-05 -7.0028506E-06 3.4462113E-06 -1.3321091E-06 3.0488755E-07 3 1.9277954E+05 9.7252172E-05 -5.0887025E-05 2.5189288E-05 -9.6817029E-06 2.2221748E-06 4 4.8588029E+04 6.1986273E-04 -3.2490293E-04 1.6019857E-04 -6.1910622E-05 1.4173991E-05 5 1.4268191E+04 3.4532448E-03 -1.8223294E-03 9.0352489E-04 -3.4759078E-04 7.9766428E-05 6 4.7887390E+03 1.6190559E-02 -8.6152785E-03 4.2641173E-03 -1.6487197E-03 3.7754953E-04 7 1.8002122E+03 6.1621664E-02 -3.3557809E-02 1.6764510E-02 -6.4597340E-03 1.4827137E-03 8 7.4060396E+02 1.7995247E-01 -1.0191053E-01 5.1185952E-02 -1.9866315E-02 4.5500064E-03 9 3.2555172E+02 3.5967632E-01 -2.1718771E-01 1.1157710E-01 -4.3162971E-02 9.9225663E-03 10 1.5005170E+02 3.8971560E-01 -2.1816018E-01 1.0730079E-01 -4.1914246E-02 9.5516427E-03 11 7.0477700E+01 1.5398597E-01 1.8661082E-01 -1.5071473E-01 6.5697008E-02 -1.5087217E-02 12 3.4738384E+01 7.2044552E-03 6.0785035E-01 -5.0537431E-01 2.1309955E-01 -4.9850018E-02 13 1.7263171E+01 2.4720188E-03 3.2087891E-01 -7.8610760E-02 1.9092124E-02 -2.9878986E-03 14 8.2690088E+00 -1.3844294E-03 3.0922041E-02 6.7997176E-01 -4.2986431E-01 1.0263513E-01 15 3.9551875E+00 5.6136235E-04 1.1277670E-03 4.7023419E-01 -2.5314556E-01 6.3370423E-02 16 1.5285759E+00 -2.0855869E-04 -2.1016341E-04 4.1424854E-02 6.1672068E-01 -1.9576064E-01 17 6.1254467E-01 7.8417731E-05 4.8207303E-05 -2.9249632E-03 5.7050971E-01 -1.7050924E-01 18 1.3370078E-01 -1.9221861E-05 -2.0989048E-05 6.8349505E-04 5.0967133E-02 4.5506726E-01 19 4.0784437E-02 7.0806248E-06 7.6153007E-06 -2.4937304E-04 -9.6468713E-03 6.7673827E-01 3d- 4d- 5d- 1 4.1301794E+03 1.6774352E-03 -8.5792856E-04 2.4563491E-04 2 1.1173296E+03 1.1762271E-02 -6.0563216E-03 1.7203937E-03 3 4.0755343E+02 5.6721769E-02 -2.9597435E-02 8.5119856E-03 4 1.7122393E+02 1.8488459E-01 -9.8403610E-02 2.8072017E-02 5 7.7865474E+01 3.7492303E-01 -1.9827599E-01 5.7446759E-02 6 3.6984121E+01 4.0548649E-01 -1.6407628E-01 4.2213135E-02 7 1.7675430E+01 1.6691075E-01 2.2047151E-01 -7.9899556E-02 8 8.3087630E+00 1.5181750E-02 5.5137186E-01 -2.0124421E-01 9 3.7839176E+00 1.2868416E-03 3.4764007E-01 -3.8264117E-02 10 1.4551293E+00 -2.3281787E-04 4.4534282E-02 3.9864784E-01 11 5.4428814E-01 1.0389711E-04 -2.3582194E-03 5.3724547E-01 12 1.7537445E-01 -3.7592684E-05 1.0184260E-03 2.7682967E-01 3d+ 4d+ 5d+ 1 4.1301794E+03 8.4723462E-04 -4.3273443E-04 1.2087128E-04 2 1.1173296E+03 8.8017149E-03 -4.5245443E-03 1.2494552E-03 3 4.0755343E+02 4.9190781E-02 -2.5603711E-02 7.1616795E-03 4 1.7122393E+02 1.7225268E-01 -9.1583967E-02 2.5429226E-02 5 7.7865474E+01 3.6604279E-01 -1.9422683E-01 5.4721869E-02 6 3.6984121E+01 4.1550523E-01 -1.7665984E-01 4.5306243E-02 7 1.7675430E+01 1.8117153E-01 1.9304119E-01 -6.9001512E-02 8 8.3087630E+00 1.7941948E-02 5.4669464E-01 -1.9313188E-01 9 3.7839176E+00 1.4062407E-03 3.7125539E-01 -5.7228199E-02 10 1.4551293E+00 -2.2942762E-04 5.2268840E-02 3.6623075E-01 11 5.4428814E-01 1.0770521E-04 -2.9151423E-03 5.4048863E-01 12 1.7537445E-01 -3.9711727E-05 1.2689373E-03 3.1486572E-01 4f- 1 3.5289941E+02 3.1777177E-03 2 1.1984064E+02 2.4757397E-02 3 4.9899918E+01 9.8955490E-02 4 2.2643775E+01 2.4460287E-01 5 1.0575041E+01 3.6993651E-01 6 4.8736802E+00 3.6105415E-01 7 2.1356461E+00 2.0515772E-01 8 8.1914535E-01 4.6469234E-02 4f+ 1 3.5289941E+02 2.7786030E-03 2 1.1984064E+02 2.3193790E-02 3 4.9899918E+01 9.5524648E-02 4 2.2643775E+01 2.3931791E-01 5 1.0575041E+01 3.6704247E-01 6 4.8736802E+00 3.6469336E-01 7 2.1356461E+00 2.1164941E-01 8 8.1914535E-01 5.0249491E-02 Small component functions ------------------------- 1s+ 2s+ 3s+ 4s+ 5s+ 6s+ 1 5.8624044E+07 -2.3371778E-04 8.9677928E-05 -4.2767669E-05 -2.1238723E-05 8.9822647E-06 2.5941286E-06 2 1.4573345E+07 -8.1903379E-04 3.1445706E-04 -1.5011506E-04 -7.4451591E-05 3.1503151E-05 9.0968775E-06 3 4.4908758E+06 -1.7445655E-03 6.6987183E-04 -3.1945762E-04 -1.5868158E-04 6.7104729E-05 1.9380708E-05 4 1.5030825E+06 -3.5039810E-03 1.3475069E-03 -6.4358419E-04 -3.1911398E-04 1.3504716E-04 3.8994974E-05 5 5.3875119E+05 -6.5636896E-03 2.5266315E-03 -1.2051919E-03 -5.9889242E-04 2.5324120E-04 7.3142273E-05 6 2.0318940E+05 -1.1861319E-02 4.5841847E-03 -2.1918371E-03 -1.0866471E-03 4.5994619E-04 1.3280546E-04 7 8.0255242E+04 -2.0524673E-02 7.9744636E-03 -3.8089053E-03 -1.8942516E-03 8.0093492E-04 2.3134404E-04 8 3.3014427E+04 -3.3929860E-02 1.3365464E-02 -6.4140843E-03 -3.1809297E-03 1.3469135E-03 3.8889889E-04 9 1.4094928E+04 -5.2626438E-02 2.1239201E-02 -1.0209167E-02 -5.0890461E-03 2.1520765E-03 6.2169888E-04 10 6.2234292E+03 -7.3771287E-02 3.1411020E-02 -1.5297768E-02 -7.6053376E-03 3.2241789E-03 9.3094419E-04 11 2.8333323E+03 -8.6775678E-02 4.0732302E-02 -2.0113090E-02 -1.0112478E-02 4.2807447E-03 1.2372042E-03 12 1.3263760E+03 -7.3481207E-02 4.1021478E-02 -2.1117489E-02 -1.0595408E-02 4.5120626E-03 1.3028766E-03 13 6.3523165E+02 -3.4135521E-02 1.7951213E-02 -9.0107244E-03 -4.6711039E-03 1.9661082E-03 5.6985444E-04 14 2.9645041E+02 -4.9390552E-03 -2.7093387E-02 2.0319919E-02 1.1529621E-02 -4.9790136E-03 -1.4471732E-03 15 1.4890504E+02 1.6993228E-04 -4.3548948E-02 4.3378748E-02 2.5388914E-02 -1.1268462E-02 -3.2715737E-03 16 7.6470799E+01 -9.0350654E-05 -1.7526225E-02 1.7207782E-02 1.1754367E-02 -5.2649260E-03 -1.5455301E-03 17 3.7168731E+01 3.6886762E-05 -1.3714670E-03 -2.6902524E-02 -2.8303066E-02 1.4167011E-02 4.2191894E-03 18 1.9458742E+01 -1.4081944E-05 6.0404669E-05 -1.7835245E-02 -2.2425493E-02 1.2225695E-02 3.6630090E-03 19 8.7325237E+00 4.4187964E-06 -1.2869925E-05 -1.4366929E-03 1.3736207E-02 -1.0921709E-02 -3.4568572E-03 20 4.3807576E+00 -1.5044434E-06 5.5559017E-06 7.3473485E-05 1.0518772E-02 -1.1053766E-02 -3.8378181E-03 21 1.4813434E+00 3.0594673E-07 -1.1839404E-06 -1.2111225E-05 4.1155021E-04 6.1491621E-03 2.9693252E-03 22 6.7303921E-01 -9.1843136E-08 3.7146251E-07 3.6169423E-06 -4.6066142E-05 3.3103154E-03 2.0501560E-03 23 1.4069657E-01 1.1026941E-08 -6.2455841E-08 -3.2337681E-07 4.1155979E-06 6.1444848E-05 -1.4389678E-03 24 5.0684820E-02 -2.8900472E-09 2.1768770E-08 6.1910940E-08 -9.6596596E-07 -5.7219564E-06 -8.5129069E-04 2p- 3p- 4p- 5p- 6p- 1 6.0994064E+06 -8.9747462E-05 4.5390727E-05 -2.2352318E-05 8.8244620E-06 -2.1048445E-06 2 9.2634966E+05 -3.0478617E-04 1.5431914E-04 -7.5946792E-05 3.0040412E-05 -7.1562338E-06 3 1.9277954E+05 -8.5951510E-04 4.3684719E-04 -2.1545389E-04 8.5007089E-05 -2.0288918E-05 4 4.8588029E+04 -2.2962282E-03 1.1709428E-03 -5.7701001E-04 2.2849712E-04 -5.4405587E-05 5 1.4268191E+04 -5.8238827E-03 2.9940265E-03 -1.4810499E-03 5.8429831E-04 -1.3953111E-04 6 4.7887390E+03 -1.3607301E-02 7.0684919E-03 -3.4972008E-03 1.3871407E-03 -3.3017128E-04 7 1.8002122E+03 -2.7928381E-02 1.4885607E-02 -7.4296507E-03 2.9340765E-03 -7.0125474E-04 8 7.4060396E+02 -4.6281044E-02 2.5679564E-02 -1.2898619E-02 5.1424090E-03 -1.2232354E-03 9 3.2555172E+02 -5.3471056E-02 3.1351336E-02 -1.6065235E-02 6.3521467E-03 -1.5235967E-03 10 1.5005170E+02 -3.2522636E-02 1.4288387E-02 -6.3225039E-03 2.5286567E-03 -5.8584863E-04 11 7.0477700E+01 -6.1960623E-03 -2.0911459E-02 1.5939645E-02 -7.1007054E-03 1.6851595E-03 12 3.4738384E+01 2.8693871E-04 -2.8380407E-02 2.3461895E-02 -1.0039830E-02 2.4756271E-03 13 1.7263171E+01 2.3032808E-04 -7.9449885E-03 -3.0439531E-03 2.2302955E-03 -6.5496070E-04 14 8.2690088E+00 1.5781472E-04 -3.5131407E-04 -1.6965877E-02 1.1537598E-02 -2.8359387E-03 15 3.9551875E+00 1.0183867E-04 -1.9216239E-05 -5.7341643E-03 1.6919804E-03 -4.7760059E-04 16 1.5285759E+00 5.3466989E-05 1.3560014E-06 -1.8849160E-04 -7.3346322E-03 2.6123309E-03 17 6.1254467E-01 3.4087403E-05 -1.0411846E-06 1.1947268E-05 -2.7852923E-03 5.8370777E-04 18 1.3370078E-01 1.5307551E-05 -2.3471100E-07 1.8959540E-06 -7.2402479E-05 -1.7846439E-03 19 4.0784437E-02 4.7101833E-06 -1.0268993E-07 8.9770145E-07 6.5590245E-06 -8.7577684E-04 2p+ 3p+ 4p+ 5p+ 6p+ 1 6.0994064E+06 -3.2426357E-06 1.6910122E-06 -8.4193630E-07 3.2091516E-07 -7.3943407E-08 2 9.2634966E+05 -2.5054044E-05 1.2987946E-05 -6.3598755E-06 2.4695731E-06 -5.6392970E-07 3 1.9277954E+05 -1.4405701E-04 7.5033942E-05 -3.7176701E-05 1.4250545E-05 -3.2745980E-06 4 4.8588029E+04 -6.6806506E-04 3.4741286E-04 -1.7081120E-04 6.6066407E-05 -1.5115896E-05 5 1.4268191E+04 -2.5409483E-03 1.3291188E-03 -6.5794469E-04 2.5285614E-04 -5.8039409E-05 6 4.7887390E+03 -7.8977137E-03 4.1621910E-03 -2.0549762E-03 7.9440440E-04 -1.8187903E-04 7 1.8002122E+03 -1.9883717E-02 1.0727674E-02 -5.3484377E-03 2.0596325E-03 -4.7275826E-04 8 7.4060396E+02 -3.8804267E-02 2.1789713E-02 -1.0922685E-02 4.2379241E-03 -9.7053190E-04 9 3.2555172E+02 -5.2542725E-02 3.1504311E-02 -1.6161776E-02 6.2499838E-03 -1.4367601E-03 10 1.5005170E+02 -3.9082878E-02 2.1799140E-02 -1.0724525E-02 4.1894296E-03 -9.5474588E-04 11 7.0477700E+01 -1.0632258E-02 -1.2659053E-02 1.0213601E-02 -4.4519508E-03 1.0222641E-03 12 3.4738384E+01 -3.5045151E-04 -2.9231294E-02 2.4268721E-02 -1.0231046E-02 2.3932831E-03 13 1.7263171E+01 -8.4203006E-05 -1.0898476E-02 2.6835640E-03 -6.5762953E-04 1.0381018E-04 14 8.2690088E+00 3.2564851E-05 -7.2660944E-04 -1.5950802E-02 1.0080276E-02 -2.4066821E-03 15 3.9551875E+00 -9.0992955E-06 -1.8472274E-05 -7.6326761E-03 4.1084727E-03 -1.0284938E-03 16 1.5285759E+00 2.0862415E-06 2.1767315E-06 -4.1806216E-04 -6.2205319E-03 1.9744482E-03 17 6.1254467E-01 -4.9126602E-07 -3.2737126E-07 1.8694865E-05 -3.6431285E-03 1.0887992E-03 18 1.3370078E-01 5.4472911E-08 6.7064721E-08 -2.0417872E-06 -1.5204515E-04 -1.3575643E-03 19 4.0784437E-02 -1.0513527E-08 -1.4147220E-08 4.1172306E-07 1.5892410E-05 -1.1150361E-03 3d- 4d- 5d- 1 4.1301794E+03 -6.2106640E-04 3.1795061E-04 -9.1270674E-05 2 1.1173296E+03 -3.1900446E-03 1.6429799E-03 -4.6635867E-04 3 4.0755343E+02 -1.0320539E-02 5.3858669E-03 -1.5494355E-03 4 1.7122393E+02 -2.2716288E-02 1.2094350E-02 -3.4499252E-03 5 7.7865474E+01 -3.1557347E-02 1.6702453E-02 -4.8402422E-03 6 3.6984121E+01 -2.3669046E-02 9.6000747E-03 -2.4715636E-03 7 1.7675430E+01 -6.7203066E-03 -8.9244366E-03 3.2333079E-03 8 8.3087630E+00 -3.9908439E-04 -1.5329994E-02 5.5953563E-03 9 3.7839176E+00 -1.3409994E-05 -6.5241423E-03 7.1907188E-04 10 1.4551293E+00 6.4272877E-06 -5.1668961E-04 -4.6412642E-03 11 5.4428814E-01 3.2672883E-07 1.7320634E-05 -3.8259778E-03 12 1.7537445E-01 5.2724464E-07 -3.9101511E-06 -1.1190384E-03 3d+ 4d+ 5d+ 1 4.1301794E+03 -4.5014030E-04 2.2942838E-04 -6.4119503E-05 2 1.1173296E+03 -2.6624765E-03 1.3659264E-03 -3.7696636E-04 3 4.0755343E+02 -9.3196728E-03 4.8421683E-03 -1.3541688E-03 4 1.7122393E+02 -2.1514092E-02 1.1421374E-02 -3.1703408E-03 5 7.7865474E+01 -3.1067744E-02 1.6466372E-02 -4.6385847E-03 6 3.6984121E+01 -2.4390461E-02 1.0369299E-02 -2.6599604E-03 7 1.7675430E+01 -7.3640190E-03 -7.8175257E-03 2.7940688E-03 8 8.3087630E+00 -4.9958637E-04 -1.5209464E-02 5.3720838E-03 9 3.7839176E+00 -2.6646639E-05 -6.9726910E-03 1.0751046E-03 10 1.4551293E+00 2.7555112E-06 -6.0886807E-04 -4.2643506E-03 11 5.4428814E-01 -7.9857087E-07 2.0785637E-05 -3.8493219E-03 12 1.7537445E-01 1.6946906E-07 -5.1358945E-06 -1.2728972E-03 4f- 1 3.5289941E+02 -6.0273735E-04 2 1.1984064E+02 -2.8931581E-03 3 4.9899918E+01 -7.5749718E-03 4 2.2643775E+01 -1.2688271E-02 5 1.0575041E+01 -1.3143842E-02 6 4.8736802E+00 -8.7173838E-03 7 2.1356461E+00 -3.2797674E-03 8 8.1914535E-01 -4.5990980E-04 4f+ 1 3.5289941E+02 -5.5367229E-04 2 1.1984064E+02 -2.7477929E-03 3 4.9899918E+01 -7.3520871E-03 4 2.2643775E+01 -1.2445066E-02 5 1.0575041E+01 -1.3057867E-02 6 4.8736802E+00 -8.8115940E-03 7 2.1356461E+00 -3.3856965E-03 8 8.1914535E-01 -4.9784115E-04 ** Pt 195 ** Large component functions ------------------------- 1s+ 2s+ 3s+ 4s+ 5s+ 6s+ 1 5.8652322E+07 1.9436812E-04 -7.5140440E-05 3.5925955E-05 1.7892963E-05 -7.6548619E-06 -2.2167164E-06 2 1.4650918E+07 4.9146103E-04 -1.9074764E-04 9.1277543E-05 4.5454039E-05 -1.9449115E-05 -5.6319753E-06 3 4.5402463E+06 1.0851938E-03 -4.2315593E-04 2.0257923E-04 1.0094381E-04 -4.3185901E-05 -1.2506264E-05 4 1.5274308E+06 2.2592221E-03 -8.8777895E-04 4.2572602E-04 2.1206419E-04 -9.0756657E-05 -2.6280817E-05 5 5.4993612E+05 4.6772756E-03 -1.8555072E-03 8.9058547E-04 4.4417821E-04 -1.9003847E-04 -5.5036439E-05 6 2.0814431E+05 9.6700215E-03 -3.8877136E-03 1.8715696E-03 9.3276503E-04 -3.9933620E-04 -1.1563719E-04 7 8.2440756E+04 2.0116543E-02 -8.2135303E-03 3.9590611E-03 1.9776902E-03 -8.4619327E-04 -2.4508654E-04 8 3.3983756E+04 4.1736829E-02 -1.7421387E-02 8.4415457E-03 4.2107094E-03 -1.8038015E-03 -5.2232803E-04 9 1.4530572E+04 8.4572128E-02 -3.6387734E-02 1.7683375E-02 8.8594563E-03 -3.7912989E-03 -1.0982789E-03 10 6.4224005E+03 1.5983647E-01 -7.2710856E-02 3.5789837E-02 1.7897006E-02 -7.6771549E-03 -2.2231251E-03 11 2.9258352E+03 2.5937620E-01 -1.2983703E-01 6.4765212E-02 3.2727146E-02 -1.4017140E-02 -4.0624229E-03 12 1.3701824E+03 3.0764139E-01 -1.8166592E-01 9.4240324E-02 4.7517283E-02 -2.0476741E-02 -5.9299382E-03 13 6.5638428E+02 2.0245227E-01 -1.0838625E-01 5.3763591E-02 2.7897033E-02 -1.1846319E-02 -3.4422317E-03 14 3.0679875E+02 4.2844714E-02 2.5319266E-01 -1.9296294E-01 -1.1012551E-01 4.8125923E-02 1.4026824E-02 15 1.5414344E+02 -1.9619463E-03 5.6075905E-01 -5.6440352E-01 -3.3229320E-01 1.4937234E-01 4.3507824E-02 16 7.9209050E+01 1.5022174E-03 3.1502389E-01 -3.1009961E-01 -2.1209954E-01 9.5939101E-02 2.8236493E-02 17 3.8552732E+01 -8.8170340E-04 3.5421658E-02 6.9676675E-01 7.3845247E-01 -3.7442441E-01 -1.1190428E-01 18 2.0201660E+01 4.6324108E-04 -2.0100917E-03 6.3982669E-01 8.0825260E-01 -4.4744622E-01 -1.3470720E-01 19 9.0879346E+00 -2.1757976E-04 5.8523980E-04 7.8108020E-02 -7.3263280E-01 5.9475003E-01 1.8964322E-01 20 4.5842276E+00 1.0500485E-04 -3.5118380E-04 -5.8812874E-03 -7.9931269E-01 8.5303311E-01 2.9812878E-01 21 1.5729843E+00 -3.5976948E-05 1.1125227E-04 1.6852522E-03 -5.4467051E-02 -8.1098898E-01 -3.9822906E-01 22 7.1448088E-01 1.5402533E-05 -4.2002007E-05 -7.5544393E-04 8.6898206E-03 -6.3965890E-01 -3.8955214E-01 23 1.4976130E-01 -3.6873846E-06 1.0469375E-05 1.6241084E-04 -1.6764551E-03 -2.5750878E-02 6.0452331E-01 24 5.3281355E-02 1.4367514E-06 -4.1907260E-06 -6.1387046E-05 6.4580465E-04 3.9183148E-03 6.0063958E-01 2p- 3p- 4p- 5p- 6p- 1 6.5881210E+06 2.6996267E-04 -1.3662506E-04 6.7509184E-05 -2.7047087E-05 6.4133111E-06 2 1.0079345E+06 8.0999905E-04 -4.1007215E-04 2.0262645E-04 -8.1192874E-05 1.9250480E-05 3 2.1029597E+05 2.1361938E-03 -1.0826684E-03 5.3520649E-04 -2.1440280E-04 5.0845597E-05 4 5.2983105E+04 5.3587212E-03 -2.7230118E-03 1.3463704E-03 -5.3982136E-04 1.2795601E-04 5 1.5512343E+04 1.3654922E-02 -6.9872246E-03 3.4633777E-03 -1.3870427E-03 3.2913703E-04 6 5.1816740E+03 3.6296714E-02 -1.8804742E-02 9.3342169E-03 -3.7508055E-03 8.8845534E-04 7 1.9381775E+03 9.6198910E-02 -5.1136164E-02 2.5599616E-02 -1.0257381E-02 2.4372717E-03 8 7.9388170E+02 2.2327296E-01 -1.2350478E-01 6.2210031E-02 -2.5139603E-02 5.9491046E-03 9 3.4777294E+02 3.7633509E-01 -2.1925051E-01 1.1265015E-01 -4.5182390E-02 1.0775403E-02 10 1.5991737E+02 3.4409985E-01 -1.5574663E-01 7.0269312E-02 -2.8490254E-02 6.5878624E-03 11 7.5149019E+01 1.0856172E-01 2.8474688E-01 -2.1954571E-01 9.9504182E-02 -2.3490196E-02 12 3.6989883E+01 3.4359126E-03 5.9236722E-01 -4.9379858E-01 2.1496009E-01 -5.2722383E-02 13 1.8421215E+01 1.2645682E-03 2.4938352E-01 6.1962527E-02 -5.2552055E-02 1.6010389E-02 14 8.7800722E+00 -6.7719656E-04 1.7633838E-02 7.2562561E-01 -5.0255449E-01 1.2334450E-01 15 4.2047231E+00 2.4195643E-04 7.9578064E-04 3.6827532E-01 -1.1836760E-01 3.2618058E-02 16 1.6273802E+00 -8.7488870E-05 -1.6287253E-04 2.0914983E-02 7.3517474E-01 -2.6245524E-01 17 6.5253058E-01 3.3678921E-05 3.0257686E-05 -1.1143383E-03 4.3463371E-01 -8.5338762E-02 18 1.4122897E-01 -7.8497990E-06 -1.3720836E-05 2.3327345E-04 2.3362351E-02 5.9712932E-01 19 4.2416794E-02 2.8730448E-06 4.9117969E-06 -8.6036703E-05 -3.9339657E-03 5.3316861E-01 2p+ 3p+ 4p+ 5p+ 6p+ 1 6.5881210E+06 1.4562875E-06 -7.6058819E-07 3.7805825E-07 -1.4736341E-07 3.3315449E-08 2 1.0079345E+06 1.2801157E-05 -6.6882872E-06 3.3052295E-06 -1.2964237E-06 2.9221610E-07 3 2.1029597E+05 9.1483454E-05 -4.7993228E-05 2.3870008E-05 -9.3107765E-06 2.1045347E-06 4 5.2983105E+04 5.7823689E-04 -3.0403351E-04 1.5054814E-04 -5.9038035E-05 1.3311220E-05 5 1.5512343E+04 3.2163348E-03 -1.7016988E-03 8.4768712E-04 -3.3094922E-04 7.4792491E-05 6 5.1816740E+03 1.5149957E-02 -8.0833879E-03 4.0177656E-03 -1.5763249E-03 3.5549601E-04 7 1.9381775E+03 5.8197718E-02 -3.1738439E-02 1.5926144E-02 -6.2276899E-03 1.4077040E-03 8 7.9388170E+02 1.7240308E-01 -9.7711051E-02 4.9262154E-02 -1.9398965E-02 4.3756947E-03 9 3.4777294E+02 3.5232344E-01 -2.1257778E-01 1.0965270E-01 -4.3052794E-02 9.7462529E-03 10 1.5991737E+02 3.9554351E-01 -2.2612076E-01 1.1243858E-01 -4.4581627E-02 1.0013042E-02 11 7.5149019E+01 1.6541222E-01 1.6091336E-01 -1.3352864E-01 5.9427144E-02 -1.3444606E-02 12 3.6989883E+01 9.4210453E-03 6.0351189E-01 -5.0379177E-01 2.1598719E-01 -4.9767237E-02 13 1.8421215E+01 2.4940562E-03 3.4138646E-01 -1.1287113E-01 3.5981188E-02 -6.8729410E-03 14 8.7800722E+00 -1.4002859E-03 3.6463318E-02 6.7152418E-01 -4.3245757E-01 1.0200525E-01 15 4.2047231E+00 5.7480835E-04 6.6229084E-04 4.8961913E-01 -2.7397159E-01 6.7414951E-02 16 1.6273802E+00 -2.1426603E-04 -6.2837885E-05 4.4604039E-02 6.2076300E-01 -1.9535129E-01 17 6.5253058E-01 8.0763353E-05 -1.0135568E-05 -3.1517988E-03 5.7351984E-01 -1.6653218E-01 18 1.4122897E-01 -1.9415943E-05 -7.9100337E-06 7.3789637E-04 5.0145274E-02 4.4832867E-01 19 4.2416794E-02 7.0940398E-06 2.7505051E-06 -2.6601577E-04 -9.5054067E-03 6.8349559E-01 3d- 4d- 5d- 1 4.3204431E+03 1.6694186E-03 -8.5992466E-04 2.5527480E-04 2 1.1655830E+03 1.1633372E-02 -6.0336582E-03 1.7775497E-03 3 4.2446935E+02 5.6079262E-02 -2.9469765E-02 8.7883497E-03 4 1.7817827E+02 1.8330503E-01 -9.8274220E-02 2.9079473E-02 5 8.1012871E+01 3.7349678E-01 -1.9901634E-01 5.9793818E-02 6 3.8494116E+01 4.0641733E-01 -1.6653678E-01 4.4475384E-02 7 1.8420578E+01 1.6899272E-01 2.1847704E-01 -8.2814520E-02 8 8.6789413E+00 1.5665095E-02 5.5215671E-01 -2.1014293E-01 9 3.9779097E+00 1.2807553E-03 3.4714076E-01 -3.8858245E-02 10 1.5525294E+00 -2.4419684E-04 4.4572571E-02 4.0971023E-01 11 5.8693406E-01 1.0466625E-04 -2.1255959E-03 5.3481155E-01 12 1.9109985E-01 -3.8862949E-05 9.8367514E-04 2.6466132E-01 3d+ 4d+ 5d+ 1 4.3204431E+03 8.2675106E-04 -4.2538003E-04 1.2312871E-04 2 1.1655830E+03 8.6192530E-03 -4.4642529E-03 1.2777693E-03 3 4.2446935E+02 4.8390491E-02 -2.5371394E-02 7.3547554E-03 4 1.7817827E+02 1.7034207E-01 -9.1249751E-02 2.6264655E-02 5 8.1012871E+01 3.6425601E-01 -1.9480652E-01 5.6886196E-02 6 3.8494116E+01 4.1654562E-01 -1.7944494E-01 4.7751873E-02 7 1.8420578E+01 1.8372493E-01 1.9018861E-01 -7.1148323E-02 8 8.6789413E+00 1.8582197E-02 5.4734052E-01 -2.0154428E-01 9 3.9779097E+00 1.4025768E-03 3.7131199E-01 -5.9114104E-02 10 1.5525294E+00 -2.4045280E-04 5.2452751E-02 3.7606417E-01 11 5.8693406E-01 1.0826922E-04 -2.6478448E-03 5.3905607E-01 12 1.9109985E-01 -4.1131146E-05 1.2323790E-03 3.0410100E-01 4f- 1 3.7657261E+02 3.0240906E-03 2 1.2787104E+02 2.3743577E-02 3 5.3348074E+01 9.6009490E-02 4 2.4269039E+01 2.4068305E-01 5 1.1386468E+01 3.6928172E-01 6 5.2840079E+00 3.6350478E-01 7 2.3378116E+00 2.0532186E-01 8 9.0639763E-01 4.5565589E-02 4f+ 1 3.7657261E+02 2.6274479E-03 2 1.2787104E+02 2.2180830E-02 3 5.3348074E+01 9.2561159E-02 4 2.4269039E+01 2.3536960E-01 5 1.1386468E+01 3.6628025E-01 6 5.2840079E+00 3.6721756E-01 7 2.3378116E+00 2.1181228E-01 8 9.0639763E-01 4.9187606E-02 Small component functions ------------------------- 1s+ 2s+ 3s+ 4s+ 5s+ 6s+ 1 5.8652322E+07 -2.4498751E-04 9.4438367E-05 -4.5115856E-05 -2.2478991E-05 9.6144924E-06 2.7843357E-06 2 1.4650918E+07 -8.5593894E-04 3.3014479E-04 -1.5787343E-04 -7.8561135E-05 3.3619856E-05 9.7348716E-06 3 4.5402463E+06 -1.8119977E-03 6.9900546E-04 -3.3392853E-04 -1.6641892E-04 7.1173420E-05 2.0612150E-05 4 1.5274308E+06 -3.6219033E-03 1.3993288E-03 -6.6948154E-04 -3.3306496E-04 1.4255490E-04 4.1276473E-05 5 5.4993612E+05 -6.7524416E-03 2.6114824E-03 -1.2478317E-03 -6.2213516E-04 2.6604449E-04 7.7050630E-05 6 2.0814431E+05 -1.2154290E-02 4.7193305E-03 -2.2603403E-03 -1.1243629E-03 4.8133144E-04 1.3936444E-04 7 8.2440756E+04 -2.0954862E-02 8.1797412E-03 -3.9137859E-03 -1.9528551E-03 8.3504236E-04 2.4185553E-04 8 3.3983756E+04 -3.4531943E-02 1.3664520E-02 -6.5688768E-03 -3.2686399E-03 1.3998460E-03 4.0530201E-04 9 1.4530572E+04 -5.3412930E-02 2.1649952E-02 -1.0424632E-02 -5.2136217E-03 2.2296260E-03 6.4586091E-04 10 6.4224005E+03 -7.4719447E-02 3.1928800E-02 -1.5575389E-02 -7.7694120E-03 3.3314516E-03 9.6459602E-04 11 2.9258352E+03 -8.7805603E-02 4.1301978E-02 -2.0425229E-02 -1.0302902E-02 4.4103347E-03 1.2781295E-03 12 1.3701824E+03 -7.4437253E-02 4.1482689E-02 -2.1375341E-02 -1.0759899E-02 4.6352211E-03 1.3422287E-03 13 6.5638428E+02 -3.4741327E-02 1.8068315E-02 -9.0452334E-03 -4.6994122E-03 1.9980206E-03 5.8056310E-04 14 3.0679875E+02 -5.0909917E-03 -2.7468267E-02 2.0673726E-02 1.1775082E-02 -5.1419293E-03 -1.4986321E-03 15 1.5414344E+02 1.6797251E-04 -4.4196364E-02 4.4049677E-02 2.5885093E-02 -1.1630941E-02 -3.3874697E-03 16 7.9209050E+01 -9.1847145E-05 -1.7886464E-02 1.7573064E-02 1.2026334E-02 -5.4421783E-03 -1.6017593E-03 17 3.8552732E+01 3.7665836E-05 -1.4146961E-03 -2.7296368E-02 -2.8863717E-02 1.4627502E-02 4.3714749E-03 18 2.0201660E+01 -1.4460267E-05 6.2513348E-05 -1.8227154E-02 -2.2987140E-02 1.2724056E-02 3.8305747E-03 19 9.0879346E+00 4.5942112E-06 -1.3555847E-05 -1.4880659E-03 1.3952913E-02 -1.1319231E-02 -3.6087883E-03 20 4.5842276E+00 -1.5849954E-06 5.8627449E-06 7.7918201E-05 1.0820997E-02 -1.1544050E-02 -4.0345147E-03 21 1.5729843E+00 3.2524332E-07 -1.2589582E-06 -1.2742126E-05 4.3223693E-04 6.4274456E-03 3.1558547E-03 22 7.1448088E-01 -9.6398569E-08 3.8841410E-07 3.7599587E-06 -4.6559655E-05 3.4174454E-03 2.0810621E-03 23 1.4976130E-01 1.1494678E-08 -6.4336692E-08 -3.3000225E-07 4.1284263E-06 6.2947005E-05 -1.4784641E-03 24 5.3281355E-02 -2.9851681E-09 2.2107825E-08 6.1461848E-08 -9.5329134E-07 -5.7017635E-06 -8.7618801E-04 2p- 3p- 4p- 5p- 6p- 1 6.5881210E+06 -9.1596501E-05 4.6416226E-05 -2.2950623E-05 9.1895967E-06 -2.1800225E-06 2 1.0079345E+06 -3.0924194E-04 1.5689842E-04 -7.7522360E-05 3.1098414E-05 -7.3681999E-06 3 2.1029597E+05 -8.6460821E-04 4.4023672E-04 -2.1802153E-04 8.7245951E-05 -2.0709895E-05 4 5.2983105E+04 -2.2901190E-03 1.1702344E-03 -5.7890996E-04 2.3249988E-04 -5.5059298E-05 5 1.5512343E+04 -5.7757950E-03 2.9742803E-03 -1.4774133E-03 5.9116931E-04 -1.4040453E-04 6 5.1816740E+03 -1.3472073E-02 7.0104176E-03 -3.4815651E-03 1.4005147E-03 -3.3155182E-04 7 1.9381775E+03 -2.7729256E-02 1.4787429E-02 -7.4102364E-03 2.9680528E-03 -7.0552181E-04 8 7.9388170E+02 -4.6355080E-02 2.5720483E-02 -1.2961336E-02 5.2402003E-03 -1.2397907E-03 9 3.4777294E+02 -5.4510223E-02 3.1930936E-02 -1.6427554E-02 6.5890823E-03 -1.5717273E-03 10 1.5991737E+02 -3.4235591E-02 1.5712040E-02 -7.1252568E-03 2.8938900E-03 -6.6912134E-04 11 7.5149019E+01 -6.9272948E-03 -2.0118879E-02 1.5433347E-02 -6.9896781E-03 1.6497769E-03 12 3.6989883E+01 2.6888893E-04 -2.9430156E-02 2.4491522E-02 -1.0660425E-02 2.6145565E-03 13 1.8421215E+01 2.4563551E-04 -8.7588490E-03 -2.1164485E-03 1.8112251E-03 -5.5340224E-04 14 8.7800722E+00 1.7051345E-04 -4.3007193E-04 -1.7518372E-02 1.2134504E-02 -2.9781900E-03 15 4.2047231E+00 1.0798263E-04 -1.5314548E-05 -6.1459628E-03 1.9771890E-03 -5.4513769E-04 16 1.6273802E+00 5.7294421E-05 7.0089357E-07 -2.0842171E-04 -7.6530974E-03 2.7317593E-03 17 6.5253058E-01 3.6536549E-05 -8.4603199E-07 1.3381146E-05 -2.8656000E-03 5.6277951E-04 18 1.4122897E-01 1.6455724E-05 -2.4814103E-07 2.0000522E-06 -7.2048051E-05 -1.8306791E-03 19 4.2416794E-02 4.9755065E-06 -9.5896442E-08 9.6340868E-07 6.4826702E-06 -8.9583735E-04 2p+ 3p+ 4p+ 5p+ 6p+ 1 6.5881210E+06 -3.1121444E-06 1.6260842E-06 -8.1429712E-07 3.1496066E-07 -7.1472509E-08 2 1.0079345E+06 -2.3857236E-05 1.2412634E-05 -6.1000184E-06 2.4037004E-06 -5.4052827E-07 3 2.1029597E+05 -1.3682987E-04 7.1442300E-05 -3.5577821E-05 1.3839255E-05 -3.1318282E-06 4 5.2983105E+04 -6.3533445E-04 3.3145038E-04 -1.6362719E-04 6.4221718E-05 -1.4470492E-05 5 1.5512343E+04 -2.4305495E-03 1.2744285E-03 -6.3386883E-04 2.4721041E-04 -5.5881016E-05 6 5.1816740E+03 -7.6203442E-03 4.0261204E-03 -1.9959906E-03 7.8294727E-04 -1.7653509E-04 7 1.9381775E+03 -1.9394020E-02 1.0475475E-02 -5.2456585E-03 2.0499536E-03 -4.6337687E-04 8 7.9388170E+02 -3.8402185E-02 2.1574633E-02 -1.0854803E-02 4.2730319E-03 -9.6374907E-04 9 3.4777294E+02 -5.3143986E-02 3.1830405E-02 -1.6394285E-02 6.4345544E-03 -1.4566201E-03 10 1.5991737E+02 -4.0939713E-02 2.3308903E-02 -1.1590929E-02 4.5958063E-03 -1.0322455E-03 11 7.5149019E+01 -1.1795287E-02 -1.1249450E-02 9.3285593E-03 -4.1518986E-03 9.3918617E-04 12 3.6989883E+01 -4.7260313E-04 -2.9943522E-02 2.4958634E-02 -1.0697724E-02 2.4648888E-03 13 1.8421215E+01 -8.7929785E-05 -1.1978016E-02 3.9723919E-03 -1.2710841E-03 2.4332234E-04 14 8.7800722E+00 3.4034530E-05 -8.8296680E-04 -1.6231344E-02 1.0449091E-02 -2.4645492E-03 15 4.2047231E+00 -9.6498268E-06 -1.1278109E-05 -8.1943263E-03 4.5845903E-03 -1.1281239E-03 16 1.6273802E+00 2.2270651E-06 7.2273546E-07 -4.6447254E-04 -6.4604701E-03 2.0329873E-03 17 6.5253058E-01 -5.2784638E-07 4.2535245E-08 2.0790205E-05 -3.7800114E-03 1.0975668E-03 18 1.4122897E-01 5.7811138E-08 2.9817136E-08 -2.2650167E-06 -1.5374699E-04 -1.3745994E-03 19 4.2416794E-02 -1.1187977E-08 -6.6212430E-09 4.4772451E-07 1.5969467E-05 -1.1484856E-03 3d- 4d- 5d- 1 4.3204431E+03 -6.2287429E-04 3.2115520E-04 -9.5588285E-05 2 1.1655830E+03 -3.2020605E-03 1.6612611E-03 -4.8903987E-04 3 4.2446935E+02 -1.0385750E-02 5.4583702E-03 -1.6283142E-03 4 1.7817827E+02 -2.2949419E-02 1.2307688E-02 -3.6415640E-03 5 8.1012871E+01 -3.2051171E-02 1.7092562E-02 -5.1365304E-03 6 3.8494116E+01 -2.4197647E-02 9.9394908E-03 -2.6563369E-03 7 1.8420578E+01 -6.9448728E-03 -9.0269535E-03 3.4206586E-03 8 8.6789413E+00 -4.2074424E-04 -1.5689508E-02 5.9712958E-03 9 3.9779097E+00 -1.3270286E-05 -6.6795421E-03 7.4880664E-04 10 1.5525294E+00 6.9343698E-06 -5.3406992E-04 -4.9270466E-03 11 5.8693406E-01 3.9970950E-07 1.6304058E-05 -3.9550147E-03 12 1.9109985E-01 5.8126806E-07 -3.9197548E-06 -1.1167721E-03 3d+ 4d+ 5d+ 1 4.3204431E+03 -4.4682093E-04 2.2939403E-04 -6.6436524E-05 2 1.1655830E+03 -2.6564297E-03 1.3730419E-03 -3.9273994E-04 3 4.2446935E+02 -9.3457762E-03 4.8909201E-03 -1.4175189E-03 4 1.7817827E+02 -2.1692537E-02 1.1602121E-02 -3.3384440E-03 5 8.1012871E+01 -3.1529155E-02 1.6842270E-02 -4.9173984E-03 6 3.8494116E+01 -2.4945032E-02 1.0745128E-02 -2.8600755E-03 7 1.8420578E+01 -7.6239337E-03 -7.8615919E-03 2.9407027E-03 8 8.6789413E+00 -5.2884218E-04 -1.5562743E-02 5.7294664E-03 9 3.9779097E+00 -2.7265615E-05 -7.1503703E-03 1.1386940E-03 10 1.5525294E+00 2.9849646E-06 -6.3114076E-04 -4.5230087E-03 11 5.8693406E-01 -8.3561437E-07 1.9608226E-05 -3.9866865E-03 12 1.9109985E-01 1.8347041E-07 -5.2070638E-06 -1.2833142E-03 4f- 1 3.7657261E+02 -5.8956162E-04 2 1.2787104E+02 -2.8612071E-03 3 5.3348074E+01 -7.5936791E-03 4 2.4269039E+01 -1.2921259E-02 5 1.1386468E+01 -1.3612728E-02 6 5.2840079E+00 -9.1379636E-03 7 2.3378116E+00 -3.4340594E-03 8 9.0639763E-01 -4.7431038E-04 4f+ 1 3.7657261E+02 -5.3981485E-04 2 1.2787104E+02 -2.7122970E-03 3 5.3348074E+01 -7.3634560E-03 4 2.4269039E+01 -1.2669556E-02 5 1.1386468E+01 -1.3520762E-02 6 5.2840079E+00 -9.2384183E-03 7 2.3378116E+00 -3.5450785E-03 8 9.0639763E-01 -5.1262006E-04 ** Au 197 ** Large component functions ------------------------- 1s+ 2s+ 3s+ 4s+ 5s+ 6s+ 1 5.8664187E+07 2.0639175E-04 -8.0163784E-05 3.8392316E-05 1.9184332E-05 -8.2941223E-06 -2.4052791E-06 2 1.4720572E+07 5.1877987E-04 -2.0230707E-04 9.6972711E-05 4.8449714E-05 -2.0950357E-05 -6.0754283E-06 3 4.5865597E+06 1.1375265E-03 -4.4569105E-04 2.1373201E-04 1.0685244E-04 -4.6197051E-05 -1.3397427E-05 4 1.5507653E+06 2.3509507E-03 -9.2831994E-04 4.4593052E-04 2.2286517E-04 -9.6389581E-05 -2.7952245E-05 5 5.6081263E+05 4.8326298E-03 -1.9266731E-03 9.2636015E-04 4.6354766E-04 -2.0042164E-04 -5.8126450E-05 6 2.1301016E+05 9.9177814E-03 -4.0077328E-03 1.9327489E-03 9.6647242E-04 -4.1815735E-04 -1.2126291E-04 7 8.4602211E+04 2.0481295E-02 -8.4071636E-03 4.0598026E-03 2.0347418E-03 -8.7979892E-04 -2.5518283E-04 8 3.4947195E+04 4.2196954E-02 -1.7710509E-02 8.5974114E-03 4.3029225E-03 -1.8629178E-03 -5.4023539E-04 9 1.4965097E+04 8.4971823E-02 -3.6763607E-02 1.7899952E-02 8.9978275E-03 -3.8911117E-03 -1.1287886E-03 10 6.6213398E+03 1.5978691E-01 -7.3058860E-02 3.6026631E-02 1.8076567E-02 -7.8370894E-03 -2.2728073E-03 11 3.0184745E+03 2.5844088E-01 -1.2985362E-01 6.4884106E-02 3.2895229E-02 -1.4236862E-02 -4.1318640E-03 12 1.4141054E+03 3.0630712E-01 -1.8085191E-01 9.3918385E-02 4.7509717E-02 -2.0695422E-02 -6.0025588E-03 13 6.7762261E+02 2.0217966E-01 -1.0695078E-01 5.2839530E-02 2.7472059E-02 -1.1771326E-02 -3.4239999E-03 14 3.1720597E+02 4.3224681E-02 2.5298494E-01 -1.9356872E-01 -1.1089937E-01 4.8971523E-02 1.4292576E-02 15 1.5940692E+02 -1.8957351E-03 5.5933422E-01 -5.6360898E-01 -3.3318338E-01 1.5151915E-01 4.4217307E-02 16 8.1961409E+01 1.4931526E-03 3.1530031E-01 -3.1025196E-01 -2.1263249E-01 9.7080992E-02 2.8603503E-02 17 3.9956972E+01 -8.7959239E-04 3.5729164E-02 6.9472912E-01 7.4023365E-01 -3.7971791E-01 -1.1371518E-01 18 2.0956115E+01 4.6401019E-04 -2.0200695E-03 6.4114052E-01 8.1226758E-01 -4.5624205E-01 -1.3784952E-01 19 9.4495196E+00 -2.2014709E-04 5.9685602E-04 7.9129426E-02 -7.3049634E-01 6.0476850E-01 1.9403461E-01 20 4.7925528E+00 1.0725446E-04 -3.5863313E-04 -6.0836773E-03 -8.0292507E-01 8.6887677E-01 3.0507447E-01 21 1.6676150E+00 -3.6723271E-05 1.1391863E-04 1.7172337E-03 -5.5377705E-02 -8.2205906E-01 -4.0908708E-01 22 7.5692833E-01 1.5484475E-05 -4.2248201E-05 -7.6061694E-04 8.4919151E-03 -6.4090572E-01 -3.8379647E-01 23 1.5885822E-01 -3.6566013E-06 1.0396546E-05 1.6075996E-04 -1.6260924E-03 -2.5537628E-02 6.0174513E-01 24 5.5868536E-02 1.4103235E-06 -4.1274448E-06 -6.0040789E-05 6.2084476E-04 3.8226294E-03 6.0291596E-01 2p- 3p- 4p- 5p- 6p- 1 7.0985104E+06 2.7329361E-04 -1.3858300E-04 6.8749976E-05 -2.7906563E-05 6.5724918E-06 2 1.0944914E+06 8.1739462E-04 -4.1463122E-04 2.0569529E-04 -8.3506525E-05 1.9665596E-05 3 2.2901997E+05 2.1433607E-03 -1.0883680E-03 5.4016979E-04 -2.1923972E-04 5.1641780E-05 4 5.7698796E+04 5.3362988E-03 -2.7166530E-03 1.3485145E-03 -5.4777742E-04 1.2896861E-04 5 1.6848384E+04 1.3461158E-02 -6.8984797E-03 3.4329099E-03 -1.3929722E-03 3.2830645E-04 6 5.6027159E+03 3.5402790E-02 -1.8367299E-02 9.1513499E-03 -3.7254193E-03 8.7652665E-04 7 2.0854106E+03 9.3307983E-02 -4.9617509E-02 2.4934866E-02 -1.0122727E-02 2.3889857E-03 8 8.5048504E+02 2.1736523E-01 -1.2022705E-01 6.0756751E-02 -2.4871743E-02 5.8463969E-03 9 3.7130000E+02 3.7191270E-01 -2.1642659E-01 1.1162303E-01 -4.5367546E-02 1.0745576E-02 10 1.7034396E+02 3.5039499E-01 -1.6459140E-01 7.5815607E-02 -3.1177189E-02 7.1807125E-03 11 8.0106328E+01 1.1653411E-01 2.6405498E-01 -2.0521697E-01 9.4492555E-02 -2.2156834E-02 12 3.9356918E+01 4.5167331E-03 5.9427758E-01 -4.9834906E-01 2.2038003E-01 -5.3687144E-02 13 1.9627095E+01 1.2878940E-03 2.6518868E-01 3.3658172E-02 -3.8649463E-02 1.2533804E-02 14 9.3052186E+00 -6.9623982E-04 2.0597361E-02 7.2635259E-01 -5.1192464E-01 1.2528000E-01 15 4.4613014E+00 2.5368573E-04 5.0453298E-04 3.8150320E-01 -1.3156095E-01 3.5484605E-02 16 1.7288859E+00 -9.1929512E-05 -8.2141529E-05 2.2246791E-02 7.4295856E-01 -2.6519562E-01 17 6.9341948E-01 3.5584793E-05 -2.2398381E-06 -1.2279851E-03 4.3322266E-01 -7.9688793E-02 18 1.4873693E-01 -8.1335048E-06 -6.5932450E-06 2.5862886E-04 2.2593343E-02 5.9575563E-01 19 4.4006584E-02 2.9546123E-06 2.2855314E-06 -9.4122186E-05 -3.8149348E-03 5.3502835E-01 2p+ 3p+ 4p+ 5p+ 6p+ 1 7.0985104E+06 1.4123280E-06 -7.3948662E-07 3.6932714E-07 -1.4592352E-07 3.2447219E-08 2 1.0944914E+06 1.2217041E-05 -6.4033756E-06 3.1776858E-06 -1.2632932E-06 2.8007881E-07 3 2.2901997E+05 8.6261995E-05 -4.5368703E-05 2.2670731E-05 -8.9638387E-06 1.9927643E-06 4 5.7698796E+04 5.4047327E-04 -2.8506446E-04 1.4175567E-04 -5.6343886E-05 1.2495459E-05 5 1.6848384E+04 2.9996819E-03 -1.5910918E-03 7.9627475E-04 -3.1512598E-04 7.0044612E-05 6 5.6027159E+03 1.4186380E-02 -7.5898993E-03 3.7883985E-03 -1.5064716E-03 3.3417291E-04 7 2.0854106E+03 5.4977345E-02 -3.0025305E-02 1.5132794E-02 -5.9982626E-03 1.3335237E-03 8 8.5048504E+02 1.6511425E-01 -9.3659732E-02 4.7398778E-02 -1.8916174E-02 4.1969579E-03 9 3.7130000E+02 3.4472750E-01 -2.0781442E-01 1.0762032E-01 -4.2835912E-02 9.5370590E-03 10 1.7034396E+02 4.0048945E-01 -2.3308792E-01 1.1704458E-01 -4.7049012E-02 1.0401227E-02 11 8.0106328E+01 1.7700922E-01 1.3563349E-01 -1.1665782E-01 5.3035182E-02 -1.1806844E-02 12 3.9356918E+01 1.2080604E-02 5.9760691E-01 -5.0070626E-01 2.1796318E-01 -4.9401849E-02 13 1.9627095E+01 2.4366733E-03 3.6192438E-01 -1.4597215E-01 5.2689196E-02 -1.0600130E-02 14 9.3052186E+00 -1.3736602E-03 4.2334596E-02 6.6203868E-01 -4.3396203E-01 1.0099647E-01 15 4.4613014E+00 5.6949217E-04 1.5314726E-04 5.0824855E-01 -2.9417101E-01 7.1063286E-02 16 1.7288859E+00 -2.1310250E-04 9.8559204E-05 4.7763680E-02 6.2428702E-01 -1.9429617E-01 17 6.9341948E-01 8.0644735E-05 -7.3149048E-05 -3.3646543E-03 5.7662386E-01 -1.6281428E-01 18 1.4873693E-01 -1.9004650E-05 5.8526842E-06 7.8878066E-04 4.9385220E-02 4.4132815E-01 19 4.4006584E-02 6.8925246E-06 -2.2784724E-06 -2.8131594E-04 -9.3848856E-03 6.9041782E-01 3d- 4d- 5d- 1 4.5125751E+03 1.6649497E-03 -8.6369888E-04 2.6444816E-04 2 1.2141256E+03 1.1530356E-02 -6.0233266E-03 1.8307376E-03 3 4.4143259E+02 5.5546197E-02 -2.9395649E-02 9.0425147E-03 4 1.8513506E+02 1.8199600E-01 -9.8274902E-02 3.0005442E-02 5 8.4154434E+01 3.7234499E-01 -1.9987974E-01 6.1947874E-02 6 3.9999228E+01 4.0717971E-01 -1.6869090E-01 4.6494628E-02 7 1.9161103E+01 1.7067815E-01 2.1734401E-01 -8.5698557E-02 8 9.0468653E+00 1.6040173E-02 5.5321525E-01 -2.1836626E-01 9 4.1716391E+00 1.2759406E-03 3.4588775E-01 -3.8601854E-02 10 1.6509286E+00 -2.5463881E-04 4.4313774E-02 4.1983887E-01 11 6.2979913E-01 1.0867804E-04 -1.9907860E-03 5.3215227E-01 12 2.0689506E-01 -3.8837364E-05 8.9001857E-04 2.5403803E-01 3d+ 4d+ 5d+ 1 4.5125751E+03 8.0870126E-04 -4.1913907E-04 1.2505067E-04 2 1.2141256E+03 8.4588770E-03 -4.4139231E-03 1.3024471E-03 3 4.4143259E+02 4.7691380E-02 -2.5186957E-02 7.5262710E-03 4 1.8513506E+02 1.6869281E-01 -9.1038742E-02 2.7018739E-02 5 8.4154434E+01 3.6275268E-01 -1.9551541E-01 5.8857649E-02 6 3.9999228E+01 4.1744370E-01 -1.8196329E-01 4.9955442E-02 7 1.9161103E+01 1.8587633E-01 1.8817138E-01 -7.3257856E-02 8 9.0468653E+00 1.9103801E-02 5.4833317E-01 -2.0930980E-01 9 4.1716391E+00 1.4001417E-03 3.7063095E-01 -6.0164817E-02 10 1.6509286E+00 -2.5094395E-04 5.2314097E-02 3.8505293E-01 11 6.2979913E-01 1.1229036E-04 -2.4833260E-03 5.3737274E-01 12 2.0689506E-01 -4.1030299E-05 1.1221083E-03 2.9481047E-01 4f- 1 4.0044189E+02 2.8939040E-03 2 1.3596020E+02 2.2869917E-02 3 5.6818820E+01 9.3453384E-02 4 2.5905814E+01 2.3721829E-01 5 1.2204304E+01 3.6870066E-01 6 5.6984252E+00 3.6569640E-01 7 2.5425388E+00 2.0535922E-01 8 9.9485802E-01 4.4709066E-02 4f+ 1 4.0044189E+02 2.4982123E-03 2 1.3596020E+02 2.1303285E-02 3 5.6818820E+01 8.9975634E-02 4 2.5905814E+01 2.3186089E-01 5 1.2204304E+01 3.6559285E-01 6 5.6984252E+00 3.6948853E-01 7 2.5425388E+00 2.1187560E-01 8 9.9485802E-01 4.8204186E-02 Small component functions ------------------------- 1s+ 2s+ 3s+ 4s+ 5s+ 6s+ 1 5.8664187E+07 -2.5692396E-04 9.9503374E-05 -4.7615859E-05 -2.3802422E-05 1.0288047E-05 2.9836420E-06 2 1.4720572E+07 -8.9494552E-04 3.4680008E-04 -1.6611430E-04 -8.2935646E-05 3.5868021E-05 1.0400864E-05 3 4.5865597E+06 -1.8830252E-03 7.2981983E-04 -3.4923888E-04 -1.7462036E-04 7.5468978E-05 2.1887258E-05 4 1.5507653E+06 -3.7457206E-03 1.4539558E-03 -6.9678044E-04 -3.4779435E-04 1.5043868E-04 4.3622399E-05 5 5.6081263E+05 -6.9499873E-03 2.7006035E-03 -1.2926088E-03 -6.4657577E-04 2.7941043E-04 8.1036404E-05 6 2.1301016E+05 -1.2460123E-02 4.8608772E-03 -2.3320442E-03 -1.1638794E-03 5.0354162E-04 1.4600747E-04 7 8.4602211E+04 -2.1402722E-02 8.3940581E-03 -4.0231972E-03 -2.0140378E-03 8.7027100E-04 2.5241512E-04 8 3.4947195E+04 -3.5156816E-02 1.3975795E-02 -6.7297816E-03 -3.3598451E-03 1.4542219E-03 4.2166233E-04 9 1.4965097E+04 -5.4225076E-02 2.2075498E-02 -1.0647560E-02 -5.3425694E-03 2.3087828E-03 6.6973058E-04 10 6.6213398E+03 -7.5688522E-02 3.2461448E-02 -1.5860527E-02 -7.9379983E-03 3.4401104E-03 9.9753437E-04 11 3.0184745E+03 -8.8836417E-02 4.1878413E-02 -2.0741035E-02 -1.0496090E-02 4.5400202E-03 1.3175407E-03 12 1.4141054E+03 -7.5362568E-02 4.1929408E-02 -2.1625270E-02 -1.0920845E-02 4.7555112E-03 1.3791927E-03 13 6.7762261E+02 -3.5310711E-02 1.8139458E-02 -9.0521022E-03 -4.7132422E-03 2.0223606E-03 5.8826380E-04 14 3.1720597E+02 -5.2336989E-03 -2.7891437E-02 2.1068353E-02 1.2045548E-02 -5.3148751E-03 -1.5511142E-03 15 1.5940692E+02 1.6558458E-04 -4.4835356E-02 4.4723752E-02 2.6387068E-02 -1.1994562E-02 -3.5000193E-03 16 8.1961409E+01 -9.3137561E-05 -1.8216452E-02 1.7889222E-02 1.2267985E-02 -5.6037769E-03 -1.6511280E-03 17 3.9956972E+01 3.8377449E-05 -1.4533297E-03 -2.7705958E-02 -2.9451263E-02 1.5099467E-02 4.5215993E-03 18 2.0956115E+01 -1.4808656E-05 6.4044426E-05 -1.8604252E-02 -2.3529676E-02 1.3214622E-02 3.9925588E-03 19 9.4495196E+00 4.7614897E-06 -1.4103440E-05 -1.5373013E-03 1.4185858E-02 -1.1735935E-02 -3.7648307E-03 20 4.7925528E+00 -1.6639207E-06 6.1305442E-06 8.2407549E-05 1.1114433E-02 -1.2022827E-02 -4.2213351E-03 21 1.6676150E+00 3.4413849E-07 -1.3264402E-06 -1.3360816E-05 4.5250839E-04 6.7082860E-03 3.3379712E-03 22 7.5692833E-01 -1.0064709E-07 4.0239779E-07 3.8933413E-06 -4.6837685E-05 3.5243801E-03 2.1103522E-03 23 1.5885822E-01 1.1923326E-08 -6.5844887E-08 -3.3533041E-07 4.1253289E-06 6.4292900E-05 -1.5157077E-03 24 5.5868536E-02 -3.0756046E-09 2.2375498E-08 6.0880810E-08 -9.3890601E-07 -5.6953712E-06 -9.0060869E-04 2p- 3p- 4p- 5p- 6p- 1 7.0985104E+06 -9.3593285E-05 4.7517780E-05 -2.3589818E-05 9.5699495E-06 -2.2549234E-06 2 1.0944914E+06 -3.1419744E-04 1.5973396E-04 -7.9232981E-05 3.2201770E-05 -7.5783309E-06 3 2.2901997E+05 -8.7104726E-04 4.4429550E-04 -2.2092481E-04 8.9574074E-05 -2.1118726E-05 4 5.7698796E+04 -2.2873342E-03 1.1711695E-03 -5.8161035E-04 2.3664932E-04 -5.5665430E-05 5 1.6848384E+04 -5.7346760E-03 2.9578583E-03 -1.4752766E-03 5.9810213E-04 -1.4109136E-04 6 5.6027159E+03 -1.3348101E-02 6.9579233E-03 -3.4684447E-03 1.4135414E-03 -3.3238769E-04 7 2.0854106E+03 -2.7539195E-02 1.4693748E-02 -7.3923362E-03 2.9998868E-03 -7.0827218E-04 8 8.5048504E+02 -4.6413374E-02 2.5754016E-02 -1.3020532E-02 5.3327369E-03 -1.2532434E-03 9 3.7130000E+02 -5.5501857E-02 3.2475441E-02 -1.6771838E-02 6.8168618E-03 -1.6149558E-03 10 1.7034396E+02 -3.5949235E-02 1.7122264E-02 -7.9251662E-03 3.2643527E-03 -7.5179879E-04 11 8.0106328E+01 -7.7110518E-03 -1.9261027E-02 1.4885552E-02 -6.8485930E-03 1.6055469E-03 12 3.9356918E+01 2.3948879E-04 -3.0452727E-02 2.5490102E-02 -1.1270546E-02 2.7455481E-03 13 1.9627095E+01 2.6339019E-04 -9.6140195E-03 -1.1598011E-03 1.3656638E-03 -4.4526077E-04 14 9.3052186E+00 1.8344785E-04 -5.1654019E-04 -1.8051133E-02 1.2723903E-02 -3.1137893E-03 15 4.4613014E+00 1.1443042E-04 -1.0634219E-05 -6.5582415E-03 2.2639092E-03 -6.1093250E-04 16 1.7288859E+00 6.1276635E-05 -7.3752923E-08 -2.2870985E-04 -7.9717259E-03 2.8450589E-03 17 6.9341948E-01 3.9094895E-05 -6.1492026E-07 1.4844332E-05 -2.9444707E-03 5.4177570E-04 18 1.4873693E-01 1.7647969E-05 -2.6047337E-07 2.1149033E-06 -7.1534149E-05 -1.8743803E-03 19 4.4006584E-02 5.2411705E-06 -8.7857081E-08 1.0289818E-06 6.3963935E-06 -9.1565208E-04 2p+ 3p+ 4p+ 5p+ 6p+ 1 7.0985104E+06 -2.9939618E-06 1.5670075E-06 -7.8918580E-07 3.0939459E-07 -6.9055127E-08 2 1.0944914E+06 -2.2759404E-05 1.1885669E-05 -5.8620938E-06 2.3414074E-06 -5.1787478E-07 3 2.2901997E+05 -1.3015539E-04 6.8114095E-05 -3.4091312E-05 1.3441506E-05 -2.9918050E-06 4 5.7698796E+04 -6.0475629E-04 3.1651585E-04 -1.5688944E-04 6.2414039E-05 -1.3832338E-05 5 1.6848384E+04 -2.3258924E-03 1.2224134E-03 -6.1085307E-04 2.4148219E-04 -5.3688152E-05 6 5.6027159E+03 -7.3528016E-03 3.8946529E-03 -1.9387622E-03 7.7079432E-04 -1.7094433E-04 7 2.0854106E+03 -1.8911024E-02 1.0226394E-02 -5.1431900E-03 2.0373002E-03 -4.5293415E-04 8 8.5048504E+02 -3.7975414E-02 2.1347014E-02 -1.0780085E-02 4.3005994E-03 -9.5408550E-04 9 3.7130000E+02 -5.3672225E-02 3.2109751E-02 -1.6602504E-02 6.6057411E-03 -1.4706799E-03 10 1.7034396E+02 -4.2768850E-02 2.4780032E-02 -1.2441526E-02 5.0010532E-03 -1.1056099E-03 11 8.0106328E+01 -1.3033542E-02 -9.7641354E-03 8.3972140E-03 -3.8183045E-03 8.4991169E-04 12 3.9356918E+01 -6.2490962E-04 -3.0578893E-02 2.5580692E-02 -1.1132578E-02 2.5231631E-03 13 1.9627095E+01 -8.8849165E-05 -1.3108078E-02 5.2972753E-03 -1.9162302E-03 3.8590251E-04 14 9.3052186E+00 3.4466195E-05 -1.0554322E-03 -1.6472790E-02 1.0793704E-02 -2.5119046E-03 15 4.4613014E+00 -9.8918072E-06 -2.8642574E-06 -8.7619394E-03 5.0705731E-03 -1.2249225E-03 16 1.7288859E+00 2.2987587E-06 -9.7509653E-07 -5.1265853E-04 -6.6966786E-03 2.0840982E-03 17 6.9341948E-01 -5.4899287E-07 4.6732344E-07 2.2877709E-05 -3.9177484E-03 1.1061759E-03 18 1.4873693E-01 5.9321636E-08 -1.1597610E-08 -2.4842981E-06 -1.5538908E-04 -1.3886369E-03 19 4.4006584E-02 -1.1511611E-08 1.4555027E-09 4.8210663E-07 1.6059559E-05 -1.1816578E-03 3d- 4d- 5d- 1 4.5125751E+03 -6.2571950E-04 3.2491327E-04 -9.9745657E-05 2 1.2141256E+03 -3.2187496E-03 1.6820116E-03 -5.1083625E-04 3 4.4143259E+02 -1.0463007E-02 5.5378140E-03 -1.7040889E-03 4 1.8513506E+02 -2.3200293E-02 1.2531953E-02 -3.8259643E-03 5 8.4154434E+01 -3.2550619E-02 1.7488561E-02 -5.4213904E-03 6 3.9999228E+01 -2.4707135E-02 1.0261540E-02 -2.8304086E-03 7 1.9161103E+01 -7.1523771E-03 -9.1576275E-03 3.6096942E-03 8 9.0468653E+00 -4.3956715E-04 -1.6048760E-02 6.3348999E-03 9 4.1716391E+00 -1.3128304E-05 -6.8154181E-03 7.6187657E-04 10 1.6509286E+00 7.4435180E-06 -5.4742743E-04 -5.2063171E-03 11 6.2979913E-01 4.5313101E-07 1.5896642E-05 -4.0764950E-03 12 2.0689506E-01 6.3105858E-07 -3.6512933E-06 -1.1153524E-03 3d+ 4d+ 5d+ 1 4.5125751E+03 -4.4425108E-04 2.2972629E-04 -6.8577416E-05 2 1.2141256E+03 -2.6541724E-03 1.3820349E-03 -4.0753055E-04 3 4.4143259E+02 -9.3823467E-03 4.9454844E-03 -1.4774760E-03 4 1.8513506E+02 -2.1887128E-02 1.1792633E-02 -3.4987174E-03 5 8.4154434E+01 -3.1996431E-02 1.7224396E-02 -5.1843302E-03 6 3.9999228E+01 -2.5482232E-02 1.1106428E-02 -3.0498753E-03 7 1.9161103E+01 -7.8670838E-03 -7.9319458E-03 3.0877496E-03 8 9.0468653E+00 -5.5511969E-04 -1.5917812E-02 6.0748968E-03 9 4.1716391E+00 -2.7888846E-05 -7.3090830E-03 1.1868805E-03 10 1.6509286E+00 3.2144370E-06 -6.4912689E-04 -4.7756066E-03 11 6.2979913E-01 -8.9854954E-07 1.9051390E-05 -4.1168058E-03 12 2.0689506E-01 1.9102367E-07 -4.9338296E-06 -1.2945033E-03 4f- 1 4.0044189E+02 -5.7888313E-04 2 1.3596020E+02 -2.8368527E-03 3 5.6818820E+01 -7.6226352E-03 4 2.5905814E+01 -1.3153622E-02 5 1.2204304E+01 -1.4068942E-02 6 5.6984252E+00 -9.5461378E-03 7 2.5425388E+00 -3.5817302E-03 8 9.9485802E-01 -4.8750458E-04 4f+ 1 4.0044189E+02 -5.2828846E-04 2 1.3596020E+02 -2.6840282E-03 3 5.6818820E+01 -7.3843417E-03 4 2.5905814E+01 -1.2892798E-02 5 1.2204304E+01 -1.3970927E-02 6 5.6984252E+00 -9.6530644E-03 7 2.5425388E+00 -3.6981842E-03 8 9.9485802E-01 -5.2631758E-04 ** Hg 202 ** Large component functions ------------------------- 1s+ 2s+ 3s+ 4s+ 5s+ 6s+ 1 5.8178997E+07 2.2024610E-04 -8.5951750E-05 4.1232485E-05 2.0671321E-05 -9.0476196E-06 -2.6166398E-06 2 1.4671086E+07 5.5019275E-04 -2.1559096E-04 1.0351196E-04 5.1887615E-05 -2.2714878E-05 -6.5690960E-06 3 4.5987699E+06 1.1974839E-03 -4.7147243E-04 2.2647607E-04 1.1359672E-04 -4.9720656E-05 -1.4380090E-05 4 1.5638363E+06 2.4559191E-03 -9.7458247E-04 4.6894508E-04 2.3514382E-04 -1.0296085E-04 -2.9775962E-05 5 5.6847167E+05 5.0112190E-03 -2.0080227E-03 9.6714249E-04 4.8555338E-04 -2.1253328E-04 -6.1472201E-05 6 2.1683185E+05 1.0206270E-02 -4.1459064E-03 2.0028667E-03 1.0048766E-03 -4.4017062E-04 -1.2729503E-04 7 8.6414344E+04 2.0917834E-02 -8.6333135E-03 4.1765630E-03 2.1002030E-03 -9.1933138E-04 -2.6593292E-04 8 3.5790482E+04 4.2780970E-02 -1.8057201E-02 8.7816680E-03 4.4099635E-03 -1.9330203E-03 -5.5900904E-04 9 1.5357346E+04 8.5570413E-02 -3.7235958E-02 1.8164317E-02 9.1611378E-03 -4.0106485E-03 -1.1603846E-03 10 6.8051420E+03 1.5999839E-01 -7.3548929E-02 3.6334483E-02 1.8293010E-02 -8.0300604E-03 -2.3222172E-03 11 3.1056427E+03 2.5768488E-01 -1.3000991E-01 6.5075799E-02 3.3101479E-02 -1.4502164E-02 -4.1980800E-03 12 1.4560617E+03 3.0476978E-01 -1.7998916E-01 9.3571772E-02 4.7489098E-02 -2.0948309E-02 -6.0579123E-03 13 6.9819485E+02 2.0138568E-01 -1.0496289E-01 5.1590292E-02 2.6872434E-02 -1.1636244E-02 -3.3793018E-03 14 3.2744874E+02 4.3388905E-02 2.5361686E-01 -1.9486540E-01 -1.1207355E-01 5.0099790E-02 1.4595200E-02 15 1.6461981E+02 -1.8166289E-03 5.5781253E-01 -5.6294996E-01 -3.3420123E-01 1.5403754E-01 4.4822316E-02 16 8.4707033E+01 1.4733904E-03 3.1486806E-01 -3.0931713E-01 -2.1244055E-01 9.8070710E-02 2.8880188E-02 17 4.1386921E+01 -8.7172392E-04 3.5897197E-02 6.9287249E-01 7.4221768E-01 -3.8591754E-01 -1.1551088E-01 18 2.1730052E+01 4.6162350E-04 -2.0037649E-03 6.4203907E-01 8.1603217E-01 -4.6593229E-01 -1.4053290E-01 19 9.8278809E+00 -2.2145290E-04 6.0019564E-04 8.0228671E-02 -7.2731177E-01 6.1513464E-01 1.9746417E-01 20 5.0128287E+00 1.0910082E-04 -3.6320539E-04 -6.2914091E-03 -8.0721324E-01 8.8773344E-01 3.1330809E-01 21 1.7709752E+00 -3.7593103E-05 1.1633451E-04 1.7671854E-03 -5.6937015E-02 -8.2851909E-01 -4.1801987E-01 22 8.0948729E-01 1.5676391E-05 -4.2580921E-05 -7.7491440E-04 8.4775416E-03 -6.4909135E-01 -3.8459247E-01 23 1.6947503E-01 -3.6050367E-06 1.0262217E-05 1.5816812E-04 -1.5952692E-03 -2.3894739E-02 6.1458122E-01 24 5.9051400E-02 1.3792449E-06 -3.9763698E-06 -5.9688416E-05 5.8477490E-04 5.4347172E-03 5.9282808E-01 2p- 3p- 4p- 5p- 6p- 1 7.6614343E+06 2.7568678E-04 -1.4006433E-04 6.9757007E-05 -2.8720910E-05 6.3738437E-06 2 1.1929781E+06 8.2191963E-04 -4.1772697E-04 2.0804066E-04 -8.5667942E-05 1.9010433E-05 3 2.5067510E+05 2.1417921E-03 -1.0895759E-03 5.4288580E-04 -2.2350051E-04 4.9605321E-05 4 6.3209396E+04 5.2894300E-03 -2.6976513E-03 1.3442435E-03 -5.5384290E-04 1.2287934E-04 5 1.8419904E+04 1.3200173E-02 -6.7741477E-03 3.3841019E-03 -1.3928951E-03 3.0929694E-04 6 6.0994912E+03 3.4317485E-02 -1.7827347E-02 8.9146877E-03 -3.6806645E-03 8.1620024E-04 7 2.2592616E+03 8.9876942E-02 -4.7795119E-02 2.4109003E-02 -9.9281553E-03 2.2070905E-03 8 9.1732636E+02 2.1022340E-01 -1.1623577E-01 5.8919628E-02 -2.4459655E-02 5.4203234E-03 9 3.9911507E+02 3.6599034E-01 -2.1259972E-01 1.1005193E-01 -4.5381724E-02 1.0119223E-02 10 1.8271270E+02 3.5738348E-01 -1.7473012E-01 8.2206729E-02 -3.4317791E-02 7.4930761E-03 11 8.6047921E+01 1.2685367E-01 2.3789974E-01 -1.8681735E-01 8.7534516E-02 -1.9394441E-02 12 4.2147571E+01 6.1930827E-03 5.9531265E-01 -5.0193861E-01 2.2586052E-01 -5.1661629E-02 13 2.1033467E+01 1.2631053E-03 2.8551896E-01 -1.6828126E-03 -2.0859918E-02 7.3411424E-03 14 9.8978664E+00 -6.9399258E-04 2.4597080E-02 7.2530700E-01 -5.2021440E-01 1.2092890E-01 15 4.7470223E+00 2.5688832E-04 1.0045700E-04 3.9846257E-01 -1.4977468E-01 3.6591837E-02 16 1.8371903E+00 -9.3610760E-05 3.4471913E-05 2.4083072E-02 7.5405168E-01 -2.5051640E-01 17 7.3672682E-01 3.6544641E-05 -4.5310977E-05 -1.4448541E-03 4.3039736E-01 -7.9974055E-02 18 1.5655732E-01 -8.2290047E-06 3.5066928E-06 2.8975230E-04 2.0442026E-02 5.6655902E-01 19 4.5570543E-02 2.9625365E-06 -1.2992008E-06 -1.0565570E-04 -3.3951835E-03 5.6588970E-01 2p+ 3p+ 4p+ 5p+ 6p+ 1 7.6614343E+06 1.3648546E-06 -7.1629732E-07 3.5945906E-07 -1.4420773E-07 2.9829749E-08 2 1.1929781E+06 1.1591491E-05 -6.0954035E-06 3.0371253E-06 -1.2254916E-06 2.5314198E-07 3 2.5067510E+05 8.0742002E-05 -4.2566051E-05 2.1369842E-05 -8.5793783E-06 1.7745051E-06 4 6.3209396E+04 5.0070724E-04 -2.6492918E-04 1.3228745E-04 -5.3369383E-05 1.1026020E-05 5 1.8419904E+04 2.7696011E-03 -1.4725328E-03 7.4034263E-04 -2.9748827E-04 6.1527653E-05 6 6.0994912E+03 1.3144052E-02 -7.0514252E-03 3.5340510E-03 -1.4264126E-03 2.9474392E-04 7 2.2592616E+03 5.1403927E-02 -2.8106352E-02 1.4226939E-02 -5.7256455E-03 1.1844245E-03 8 9.1732636E+02 1.5670289E-01 -8.8942318E-02 4.5173767E-02 -1.8296132E-02 3.7817792E-03 9 3.9911507E+02 3.3513964E-01 -2.0170632E-01 1.0484988E-01 -4.2379030E-02 8.7757520E-03 10 1.8271270E+02 4.0509703E-01 -2.4009370E-01 1.2173650E-01 -4.9665455E-02 1.0251892E-02 11 8.6047921E+01 1.9133040E-01 1.0515428E-01 -9.6123606E-02 4.4862620E-02 -9.3591596E-03 12 4.2147571E+01 1.6003481E-02 5.8811595E-01 -4.9423742E-01 2.1893083E-01 -4.6028335E-02 13 2.1033467E+01 2.2464368E-03 3.8731770E-01 -1.8539436E-01 7.2755214E-02 -1.4506358E-02 14 9.8978664E+00 -1.2730567E-03 5.0055539E-02 6.4810408E-01 -4.3251652E-01 9.4486752E-02 15 4.7470223E+00 5.3078243E-04 -5.3822675E-04 5.3099529E-01 -3.1987775E-01 7.0734339E-02 16 1.8371903E+00 -1.9998434E-04 3.2419271E-04 5.1892781E-02 6.3045899E-01 -1.7925059E-01 17 7.3672682E-01 7.6394584E-05 -1.5642113E-04 -3.7773629E-03 5.7914157E-01 -1.5843263E-01 18 1.5655732E-01 -1.7683674E-05 2.5139119E-05 8.5221533E-04 4.6408054E-02 4.0665112E-01 19 4.5570543E-02 6.3584271E-06 -9.0753276E-06 -3.0413037E-04 -8.7611823E-03 7.2107391E-01 3d- 4d- 5d- 1 4.7996895E+03 1.6124607E-03 -8.4212141E-04 2.6772689E-04 2 1.2866869E+03 1.1082766E-02 -5.8315843E-03 1.8416686E-03 3 4.6688020E+02 5.3484534E-02 -2.8485329E-02 9.0984900E-03 4 1.9562606E+02 1.7660405E-01 -9.6042261E-02 3.0475523E-02 5 8.8941981E+01 3.6653963E-01 -1.9829848E-01 6.3808609E-02 6 4.2314837E+01 4.1020060E-01 -1.7559457E-01 5.0831029E-02 7 2.0345150E+01 1.7888841E-01 2.0205373E-01 -8.4315985E-02 8 9.6395942E+00 1.8321550E-02 5.5132691E-01 -2.2701364E-01 9 4.4735943E+00 1.2215424E-03 3.5696967E-01 -5.0452042E-02 10 1.8024177E+00 -2.1971198E-04 4.8038517E-02 4.2096916E-01 11 7.0170513E-01 1.0787608E-04 -2.3463323E-03 5.3534787E-01 12 2.3668973E-01 -3.2489847E-05 7.6246009E-04 2.4591452E-01 3d+ 4d+ 5d+ 1 4.7996895E+03 7.6217465E-04 -3.9772209E-04 1.2342102E-04 2 1.2866869E+03 8.0181604E-03 -4.2158359E-03 1.2949421E-03 3 4.6688020E+02 4.5595716E-02 -2.4239379E-02 7.5344624E-03 4 1.9562606E+02 1.6306515E-01 -8.8645459E-02 2.7390622E-02 5 8.8941981E+01 3.5630628E-01 -1.9357285E-01 6.0615280E-02 6 4.2314837E+01 4.2005448E-01 -1.8857636E-01 5.4348546E-02 7 2.0345150E+01 1.9477826E-01 1.7206658E-01 -7.1326790E-02 8 9.6395942E+00 2.1813482E-02 5.4507966E-01 -2.1749657E-01 9 4.4735943E+00 1.3433999E-03 3.8225399E-01 -7.2698167E-02 10 1.8024177E+00 -2.0842084E-04 5.6746225E-02 3.8541806E-01 11 7.0170513E-01 1.0899731E-04 -2.8510552E-03 5.4166117E-01 12 2.3668973E-01 -3.3171798E-05 9.6280169E-04 2.8590179E-01 4f- 1 4.2415582E+02 2.7884647E-03 2 1.4398270E+02 2.2156016E-02 3 6.0252985E+01 9.1387189E-02 4 2.7523100E+01 2.3448883E-01 5 1.3010708E+01 3.6850251E-01 6 6.1067293E+00 3.6755717E-01 7 2.7448652E+00 2.0482776E-01 8 1.0847115E+00 4.3323624E-02 4f+ 1 4.2415582E+02 2.3918284E-03 2 1.4398270E+02 2.0579048E-02 3 6.0252985E+01 8.7865398E-02 4 2.7523100E+01 2.2906809E-01 5 1.3010708E+01 3.6529781E-01 6 6.1067293E+00 3.7143707E-01 7 2.7448652E+00 2.1140845E-01 8 1.0847115E+00 4.6711023E-02 Small component functions ------------------------- 1s+ 2s+ 3s+ 4s+ 5s+ 6s+ 1 5.8178997E+07 -2.7075015E-04 1.0535355E-04 -5.0499064E-05 -2.5326316E-05 1.1082046E-05 3.2052104E-06 2 1.4671086E+07 -9.4007028E-04 3.6600164E-04 -1.7559789E-04 -8.7960438E-05 3.8512787E-05 1.1137009E-05 3 4.5987699E+06 -1.9646313E-03 7.6506260E-04 -3.6671230E-04 -1.8395784E-04 8.0486681E-05 2.3279502E-05 4 1.5638363E+06 -3.8872133E-03 1.5160346E-03 -7.2772151E-04 -3.6444026E-04 1.5959556E-04 4.6149466E-05 5 5.6847167E+05 -7.1742745E-03 2.8011008E-03 -1.3429532E-03 -6.7396067E-04 2.9483893E-04 8.5281522E-05 6 2.1683185E+05 -1.2805297E-02 5.0194030E-03 -2.4120660E-03 -1.2078069E-03 5.2904005E-04 1.5297419E-04 7 8.6414344E+04 -2.1904071E-02 8.6319795E-03 -4.1442183E-03 -2.0814235E-03 9.1047739E-04 2.6337223E-04 8 3.5790482E+04 -3.5848238E-02 1.4317852E-02 -6.9058892E-03 -3.4592330E-03 1.5158769E-03 4.3830868E-04 9 1.5357346E+04 -5.5105483E-02 2.2535964E-02 -1.0888051E-02 -5.4811458E-03 2.3978292E-03 6.9372635E-04 10 6.8051420E+03 -7.6698947E-02 3.3024086E-02 -1.6161237E-02 -8.1154864E-03 3.5609651E-03 1.0296533E-03 11 3.1056427E+03 -8.9835614E-02 4.2458493E-02 -2.1060453E-02 -1.0692376E-02 4.6816229E-03 1.3551590E-03 12 1.4560617E+03 -7.6167537E-02 4.2324701E-02 -2.1849659E-02 -1.1069825E-02 4.8813638E-03 1.4114871E-03 13 6.9819485E+02 -3.5764699E-02 1.8101156E-02 -8.9962987E-03 -4.6940556E-03 2.0358837E-03 5.9122057E-04 14 3.2744874E+02 -5.3494799E-03 -2.8395735E-02 2.1532049E-02 1.2357327E-02 -5.5193777E-03 -1.6078833E-03 15 1.6461981E+02 1.6181961E-04 -4.5444526E-02 4.5388086E-02 2.6890592E-02 -1.2388552E-02 -3.6045063E-03 16 8.4707033E+01 -9.3728245E-05 -1.8499877E-02 1.8137071E-02 1.2464990E-02 -5.7573106E-03 -1.6954653E-03 17 4.1386921E+01 3.8845958E-05 -1.4867241E-03 -2.8120299E-02 -3.0049645E-02 1.5615527E-02 4.6736579E-03 18 2.1730052E+01 -1.5066822E-05 6.4818338E-05 -1.8973019E-02 -2.4072224E-02 1.3742633E-02 4.1448736E-03 19 9.8278809E+00 4.9103273E-06 -1.4508393E-05 -1.5896530E-03 1.4403510E-02 -1.2172938E-02 -3.9070204E-03 20 5.0128287E+00 -1.7415877E-06 6.3723293E-06 8.7155694E-05 1.1428002E-02 -1.2563033E-02 -4.4338255E-03 21 1.7709752E+00 3.6600665E-07 -1.4000276E-06 -1.4163508E-05 4.7946971E-04 6.9673431E-03 3.5149328E-03 22 8.0948729E-01 -1.0650736E-07 4.2113899E-07 4.1002308E-06 -4.8359156E-05 3.6912701E-03 2.1869281E-03 23 1.6947503E-01 1.2378057E-08 -6.7417244E-08 -3.3948636E-07 4.1808139E-06 6.2132262E-05 -1.5989326E-03 24 5.9051400E-02 -3.1874625E-09 2.2614302E-08 6.2092691E-08 -9.0985430E-07 -8.3309798E-06 -9.1041555E-04 2p- 3p- 4p- 5p- 6p- 1 7.6614343E+06 -9.5288602E-05 4.8466481E-05 -2.4156013E-05 9.9402315E-06 -2.2067923E-06 2 1.1929781E+06 -3.1806506E-04 1.6202199E-04 -8.0675915E-05 3.3256364E-05 -7.3758699E-06 3 2.5067510E+05 -8.7394075E-04 4.4650654E-04 -2.2291217E-04 9.1679381E-05 -2.0363491E-05 4 6.3209396E+04 -2.2737336E-03 1.1665278E-03 -5.8148108E-04 2.3997113E-04 -5.3201786E-05 5 1.8419904E+04 -5.6633183E-03 2.9252651E-03 -1.4649144E-03 6.0244586E-04 -1.3387657E-04 6 6.0994912E+03 -1.3150033E-02 6.8661743E-03 -3.4350894E-03 1.4198919E-03 -3.1471169E-04 7 2.2592616E+03 -2.7201799E-02 1.4516620E-02 -7.3314447E-03 3.0179396E-03 -6.7115003E-04 8 9.1732636E+02 -4.6274996E-02 2.5671831E-02 -1.3018538E-02 5.4071795E-03 -1.1980176E-03 9 3.9911507E+02 -5.6436277E-02 3.2962758E-02 -1.7086489E-02 7.0460636E-03 -1.5714284E-03 10 1.8271270E+02 -3.7939160E-02 1.8805363E-02 -8.8871408E-03 3.7156475E-03 -8.1126646E-04 11 8.6047921E+01 -8.7482945E-03 -1.7984974E-02 1.4034215E-02 -6.5699804E-03 1.4553509E-03 12 4.2147571E+01 1.7948934E-04 -3.1565125E-02 2.6560577E-02 -1.1949280E-02 2.7331024E-03 13 2.1033467E+01 2.8562910E-04 -1.0715461E-02 1.2339979E-04 7.4671276E-04 -2.6678995E-04 14 9.8978664E+00 1.9799424E-04 -6.3548867E-04 -1.8588286E-02 1.3333877E-02 -3.0995495E-03 15 4.7470223E+00 1.2164708E-04 -3.6585779E-06 -7.0660238E-03 2.6589532E-03 -6.4990832E-04 16 1.8371903E+00 6.5775596E-05 -1.2851825E-06 -2.5560896E-04 -8.3403675E-03 2.7704802E-03 17 7.3672682E-01 4.1757105E-05 -2.9054975E-07 1.7107983E-05 -3.0152846E-03 5.6042796E-04 18 1.5655732E-01 1.8934284E-05 -2.8010225E-07 2.2238720E-06 -6.6462895E-05 -1.8287745E-03 19 4.5570543E-02 5.5121282E-06 -7.7242864E-08 1.1024635E-06 5.7747138E-06 -9.8553123E-04 2p+ 3p+ 4p+ 5p+ 6p+ 1 7.6614343E+06 -2.8693037E-06 1.5034346E-06 -7.6165811E-07 3.0329871E-07 -6.2853111E-08 2 1.1929781E+06 -2.1584992E-05 1.1318576E-05 -5.6010160E-06 2.2701908E-06 -4.6838945E-07 3 2.5067510E+05 -1.2293099E-04 6.4462553E-05 -3.2428460E-05 1.2983464E-05 -2.6869740E-06 4 6.3209396E+04 -5.7101274E-04 2.9986348E-04 -1.4921553E-04 6.0249532E-05 -1.2442933E-05 5 1.8419904E+04 -2.2068956E-03 1.1623809E-03 -5.8357743E-04 2.3424050E-04 -4.8450667E-05 6 6.0994912E+03 -7.0355918E-03 3.7362130E-03 -1.8673035E-03 7.5350289E-04 -1.5567601E-04 7 2.2592616E+03 -1.8300664E-02 9.9049369E-03 -5.0028344E-03 2.0120403E-03 -4.1620443E-04 8 9.1732636E+02 -3.7324295E-02 2.0987619E-02 -1.0635817E-02 4.3059963E-03 -8.8996921E-04 9 3.9911507E+02 -5.4029538E-02 3.2261107E-02 -1.6742216E-02 6.7642624E-03 -1.4006780E-03 10 1.8271270E+02 -4.4785106E-02 2.6411692E-02 -1.3387102E-02 5.4612563E-03 -1.1273050E-03 11 8.6047921E+01 -1.4602251E-02 -7.8095414E-03 7.1481674E-03 -3.3377849E-03 6.9626257E-04 12 4.2147571E+01 -8.5651228E-04 -3.1133901E-02 2.6121502E-02 -1.1567548E-02 2.4319074E-03 13 2.1033467E+01 -8.5010262E-05 -1.4521930E-02 6.9590921E-03 -2.7346509E-03 5.4546657E-04 14 9.8978664E+00 3.3059688E-05 -1.2871441E-03 -1.6630500E-02 1.1094063E-02 -2.4234630E-03 15 4.7470223E+00 -9.5652035E-06 9.3083494E-06 -9.4428060E-03 5.6874610E-03 -1.2576880E-03 16 1.8371903E+00 2.2436370E-06 -3.4849877E-06 -5.7416611E-04 -6.9714527E-03 1.9820042E-03 17 7.3672682E-01 -5.4314823E-07 1.0583309E-06 2.6472037E-05 -4.0558906E-03 1.1095096E-03 18 1.5655732E-01 5.8193559E-08 -7.2606343E-08 -2.7533194E-06 -1.4981036E-04 -1.3127319E-03 19 4.5570543E-02 -1.1352849E-08 1.2752066E-08 5.3021813E-07 1.5255880E-05 -1.2558643E-03 3d- 4d- 5d- 1 4.7996895E+03 -6.1176734E-04 3.1977811E-04 -1.0192518E-04 2 1.2866869E+03 -3.1549941E-03 1.6608221E-03 -5.2410994E-04 3 4.6688020E+02 -1.0319718E-02 5.4967978E-03 -1.7563216E-03 4 1.9562606E+02 -2.3102338E-02 1.2568000E-02 -3.9876935E-03 5 8.8941981E+01 -3.2917476E-02 1.7823734E-02 -5.7366534E-03 6 4.2314837E+01 -2.5593112E-02 1.0982737E-02 -3.1816026E-03 7 2.0345150E+01 -7.7250779E-03 -8.7700206E-03 3.6584342E-03 8 9.6395942E+00 -5.2072415E-04 -1.6508540E-02 6.7975842E-03 9 4.4735943E+00 -1.1942260E-05 -7.2838359E-03 1.0309488E-03 10 1.8024177E+00 7.5750844E-06 -6.2014282E-04 -5.4544526E-03 11 7.0170513E-01 5.7090285E-07 1.9706021E-05 -4.3287241E-03 12 2.3668973E-01 6.9426018E-07 -3.2782325E-06 -1.1547926E-03 3d+ 4d+ 5d+ 1 4.7996895E+03 -4.2862485E-04 2.2312852E-04 -6.9277042E-05 2 1.2866869E+03 -2.5810092E-03 1.3541116E-03 -4.1564233E-04 3 4.6688020E+02 -9.2096864E-03 4.8861714E-03 -1.5184359E-03 4 1.9562606E+02 -2.1731369E-02 1.1793633E-02 -3.6428776E-03 5 8.8941981E+01 -3.2299352E-02 1.7525103E-02 -5.4867862E-03 6 4.2314837E+01 -2.6370805E-02 1.1836388E-02 -3.4120332E-03 7 2.0345150E+01 -8.4949588E-03 -7.4711576E-03 3.0968882E-03 8 9.6395942E+00 -6.5436803E-04 -1.6332894E-02 6.5156906E-03 9 4.4735943E+00 -2.7749433E-05 -7.8064003E-03 1.4850334E-03 10 1.8024177E+00 2.8199623E-06 -7.3573467E-04 -4.9945771E-03 11 7.0170513E-01 -9.2699620E-07 2.3086010E-05 -4.3801509E-03 12 2.3668973E-01 1.6888925E-07 -4.5296967E-06 -1.3427414E-03 4f- 1 4.2415582E+02 -5.7125318E-04 2 1.4398270E+02 -2.8233967E-03 3 6.0252985E+01 -7.6705689E-03 4 2.7523100E+01 -1.3397898E-02 5 1.3010708E+01 -1.4516473E-02 6 6.1067293E+00 -9.9318719E-03 7 2.7448652E+00 -3.7116862E-03 8 1.0847115E+00 -4.9318585E-04 4f+ 1 4.2415582E+02 -5.1959007E-04 2 1.4398270E+02 -2.6661178E-03 3 6.0252985E+01 -7.4232976E-03 4 2.7523100E+01 -1.3127179E-02 5 1.3010708E+01 -1.4412743E-02 6 6.1067293E+00 -1.0045490E-02 7 2.7448652E+00 -3.8340756E-03 8 1.0847115E+00 -5.3255187E-04 Spin-free Dirac-Hartree-Fock basis sets ======================================= ** Hf 180 ** Large component functions ------------------------- 1s 2s 3s 4s 5s 6s 1 5.8724362E+07 1.3535367E-04 -5.0919816E-05 2.4077591E-05 1.1754449E-05 4.6330788E-06 -1.2555126E-06 2 1.4174720E+07 3.5597697E-04 -1.3441450E-04 6.3610351E-05 3.1046796E-05 1.2238745E-05 -3.3166680E-06 3 4.2301412E+06 8.2147088E-04 -3.1153961E-04 1.4748436E-04 7.2034409E-05 2.8393479E-05 -7.6942874E-06 4 1.3766740E+06 1.7898803E-03 -6.8381398E-04 3.2424978E-04 1.5829413E-04 6.2409427E-05 -1.6913287E-05 5 4.8186640E+05 3.8749733E-03 -1.4935115E-03 7.0868954E-04 3.4644828E-04 1.3656621E-04 -3.7007621E-05 6 1.7839897E+05 8.3892610E-03 -3.2740933E-03 1.5580872E-03 7.6091664E-04 3.0008426E-04 -8.1328897E-05 7 6.9459976E+04 1.8262575E-02 -7.2280263E-03 3.4428197E-03 1.6856271E-03 6.6451173E-04 -1.8007169E-04 8 2.8270903E+04 3.9537395E-02 -1.5983972E-02 7.6527767E-03 3.7396369E-03 1.4755072E-03 -3.9992979E-04 9 1.1977089E+04 8.3128324E-02 -3.4630983E-02 1.6624472E-02 8.1632094E-03 3.2188396E-03 -8.7224525E-04 10 5.2603310E+03 1.6159478E-01 -7.1418342E-02 3.4740254E-02 1.7015905E-02 6.7212746E-03 -1.8221426E-03 11 2.3867192E+03 2.6641412E-01 -1.3066282E-01 6.4464134E-02 3.1937554E-02 1.2606871E-02 -3.4164384E-03 12 1.1151597E+03 3.1495294E-01 -1.8653001E-01 9.6037987E-02 4.7449419E-02 1.8816725E-02 -5.1048614E-03 13 5.3340834E+02 2.0085200E-01 -1.1296552E-01 5.6813073E-02 2.9126226E-02 1.1460496E-02 -3.1013062E-03 14 2.4678923E+02 3.9093361E-02 2.6345100E-01 -1.9637899E-01 -1.0957811E-01 -4.4118269E-02 1.1980559E-02 15 1.2368928E+02 -2.2892583E-03 5.7014557E-01 -5.7233004E-01 -3.2883145E-01 -1.3546700E-01 3.6954524E-02 16 6.3286918E+01 1.5002923E-03 3.0449034E-01 -2.9395058E-01 -1.9971183E-01 -8.3549227E-02 2.2771898E-02 17 3.0620000E+01 -8.6498423E-04 3.1406235E-02 7.1852691E-01 7.4056860E-01 3.4340526E-01 -9.5021946E-02 18 1.5952213E+01 4.3879451E-04 -1.6059419E-03 6.2173505E-01 7.6970040E-01 3.8425287E-01 -1.0778340E-01 19 7.0553938E+00 -1.9198391E-04 3.9362181E-04 6.9168043E-02 -7.6568561E-01 -5.4739751E-01 1.6068076E-01 20 3.4448123E+00 8.6715457E-05 -2.5747221E-04 -4.6194638E-03 -7.6036724E-01 -7.2425459E-01 2.2692827E-01 21 1.0698259E+00 -2.8557009E-05 7.6086827E-05 1.4032130E-03 -4.6010275E-02 7.4020858E-01 -2.9661989E-01 22 4.7693821E-01 1.2911534E-05 -2.9978148E-05 -6.5533437E-04 8.7638862E-03 6.3050969E-01 -4.1384948E-01 23 9.1539500E-02 -3.3743819E-06 8.2406082E-06 1.5625796E-04 -1.8326119E-03 2.4367661E-02 6.2753385E-01 24 3.5867710E-02 1.4801091E-06 -3.6704357E-06 -6.7435529E-05 7.8976743E-04 -4.9776853E-03 5.6535520E-01 2p 3p 4p 5p 6p 1 4.0497329E+06 5.5280248E-05 -2.7889974E-05 1.3431063E-05 -4.7403859E-06 1.1056307E-06 2 5.9716659E+05 1.9202252E-04 -9.6968009E-05 4.6703452E-05 -1.6492828E-05 3.8460309E-06 3 1.2335435E+05 6.2512747E-04 -3.1677332E-04 1.5271577E-04 -5.3874677E-05 1.2568792E-05 4 3.1311570E+04 2.1257826E-03 -1.0822848E-03 5.2216014E-04 -1.8465679E-04 4.3046410E-05 5 9.3784042E+03 7.7952954E-03 -4.0114663E-03 1.9410256E-03 -6.8443309E-04 1.5975422E-04 6 3.2319646E+03 2.8443531E-02 -1.4819361E-02 7.1867425E-03 -2.5468426E-03 5.9355612E-04 7 1.2468028E+03 9.1933940E-02 -4.9369272E-02 2.4128885E-02 -8.5174916E-03 1.9891130E-03 8 5.2417826E+02 2.3272755E-01 -1.3060964E-01 6.4459510E-02 -2.2958074E-02 5.3497622E-03 9 2.3443343E+02 3.9275324E-01 -2.3508187E-01 1.1813799E-01 -4.1782048E-02 9.7752995E-03 10 1.0943467E+02 3.3406622E-01 -1.4421854E-01 6.2619286E-02 -2.2343029E-02 5.1349260E-03 11 5.1596459E+01 9.1595469E-02 3.3640684E-01 -2.5221267E-01 9.9248304E-02 -2.3171691E-02 12 2.5499633E+01 1.3629782E-03 5.9375946E-01 -4.7855486E-01 1.8182758E-01 -4.3205044E-02 13 1.2442323E+01 1.1439741E-03 2.0999993E-01 1.3482292E-01 -7.7157914E-02 1.9850291E-02 14 6.0336878E+00 -6.3717913E-04 8.5804761E-03 7.0753601E-01 -4.0938522E-01 9.8033714E-02 15 2.8538346E+00 2.1359503E-04 2.2945747E-03 3.4301709E-01 -1.1393680E-01 2.9317314E-02 16 1.0816732E+00 -7.7574162E-05 -5.8002294E-04 2.1438599E-02 6.1861177E-01 -1.8981212E-01 17 4.2611713E-01 2.8912894E-05 2.0750042E-04 -1.1730568E-03 5.2585588E-01 -1.7510998E-01 18 9.4113870E-02 -7.7857111E-06 -5.8199549E-05 2.5889427E-04 4.5290401E-02 5.1041736E-01 19 3.1478343E-02 3.0659412E-06 2.3015293E-05 -1.0573662E-04 -8.8232654E-03 6.1815053E-01 3d 4d 5d 1 3.2327768E+03 1.2804871E-03 -6.3060624E-04 1.2818473E-04 2 8.8711987E+02 1.1090894E-02 -5.4907521E-03 1.1071401E-03 3 3.2612272E+02 5.7265180E-02 -2.8770524E-02 5.8635378E-03 4 1.3752981E+02 1.8956157E-01 -9.7059489E-02 1.9653937E-02 5 6.2536976E+01 3.8101250E-01 -1.9395506E-01 3.9763013E-02 6 2.9611883E+01 4.0420804E-01 -1.5481418E-01 2.8626977E-02 7 1.4021582E+01 1.5891377E-01 2.2651642E-01 -5.6339988E-02 8 6.5021130E+00 1.2824289E-02 5.4812053E-01 -1.3597018E-01 9 2.8583293E+00 1.3835055E-03 3.5266895E-01 -3.5990586E-02 10 1.0146209E+00 -1.7570936E-04 4.6171958E-02 2.9055465E-01 11 3.3669317E-01 9.8404484E-05 -3.1040376E-03 5.3801973E-01 12 9.6159372E-02 -2.8697870E-05 1.0370896E-03 4.2371711E-01 4f 1 2.3344044E+02 4.4909953E-03 2 7.9161338E+01 3.3494968E-02 3 3.2390745E+01 1.2439952E-01 4 1.4387505E+01 2.7520124E-01 5 6.4595828E+00 3.7483082E-01 6 2.8070528E+00 3.4311644E-01 7 1.1279960E+00 2.0226846E-01 8 3.8547549E-01 5.2933968E-02 Pseudo-large component functions -------------------------------- 1s 2s 3s 4s 5s 6s 1 5.8724362E+07 3.8246900E-06 -1.4348810E-06 6.7793070E-07 3.3112871E-07 1.3049360E-07 -3.5360581E-08 2 1.4174720E+07 2.7697119E-05 -1.0398550E-05 4.9182423E-06 2.3986441E-06 9.4563454E-07 -2.5627333E-07 3 4.2301412E+06 1.1145102E-04 -4.1838512E-05 1.9766753E-05 9.6570495E-06 3.8055549E-06 -1.0311980E-06 4 1.3766740E+06 4.0204728E-04 -1.5117182E-04 7.1532698E-05 3.4877193E-05 1.3751176E-05 -3.7267599E-06 5 4.8186640E+05 1.3035146E-03 -4.9048522E-04 2.3177305E-04 1.1328094E-04 4.4637946E-05 -1.2095359E-05 6 1.7839897E+05 3.9481388E-03 -1.4917896E-03 7.0664015E-04 3.4447295E-04 1.3583525E-04 -3.6814494E-05 7 6.9459976E+04 1.1146695E-02 -4.2334923E-03 2.0030920E-03 9.7983119E-04 3.8609018E-04 -1.0461502E-04 8 2.8270903E+04 2.9326721E-02 -1.1300983E-02 5.3729993E-03 2.6198858E-03 1.0334197E-03 -2.8009895E-04 9 1.1977089E+04 7.0793391E-02 -2.7980257E-02 1.3324485E-02 6.5333662E-03 2.5748966E-03 -6.9769163E-04 10 5.2603310E+03 1.5108294E-01 -6.3249331E-02 3.0530890E-02 1.4922651E-02 5.8924014E-03 -1.5973767E-03 11 2.3867192E+03 2.6445984E-01 -1.2298419E-01 6.0233685E-02 2.9798201E-02 1.1757546E-02 -3.1860744E-03 12 1.1151597E+03 3.2420291E-01 -1.8279644E-01 9.3576852E-02 4.6168505E-02 1.8303667E-02 -4.9654927E-03 13 5.3340834E+02 2.1092161E-01 -1.1568222E-01 5.8541150E-02 3.0027564E-02 1.1822770E-02 -3.1998017E-03 14 2.4678923E+02 4.1471308E-02 2.5925195E-01 -1.9122314E-01 -1.0652785E-01 -4.2867002E-02 1.1639781E-02 15 1.2368928E+02 -2.4558023E-03 5.7244474E-01 -5.7002602E-01 -3.2700908E-01 -1.3467257E-01 3.6736114E-02 16 6.3286918E+01 1.6055673E-03 3.0683132E-01 -2.9585650E-01 -2.0108994E-01 -8.4148208E-02 2.2936874E-02 17 3.0620000E+01 -9.2559113E-04 3.1907633E-02 7.1768904E-01 7.3834832E-01 3.4224392E-01 -9.4696338E-02 18 1.5952213E+01 4.7258264E-04 -1.7763118E-03 6.2322657E-01 7.7052947E-01 3.8464204E-01 -1.0789039E-01 19 7.0553938E+00 -2.0782384E-04 5.0267984E-04 6.9149627E-02 -7.6554702E-01 -5.4702135E-01 1.6055828E-01 20 3.4448123E+00 9.4178933E-05 -3.2530416E-04 -4.5260033E-03 -7.6066060E-01 -7.2432316E-01 2.2694775E-01 21 1.0698259E+00 -3.1458342E-05 1.1587560E-04 1.3444520E-03 -4.6053441E-02 7.4016484E-01 -2.9658368E-01 22 4.7693821E-01 1.4459142E-05 -5.7278197E-05 -6.1403945E-04 8.7830670E-03 6.3056679E-01 -4.1386148E-01 23 9.1539500E-02 -3.9885705E-06 2.4012853E-05 1.3176171E-04 -1.8420675E-03 2.4358460E-02 6.2753478E-01 24 3.5867710E-02 1.8648838E-06 -1.5322930E-05 -4.9177305E-05 7.9646724E-04 -4.9702748E-03 5.6535566E-01 2p 3p 4p 5p 6p 1 4.0497329E+06 1.2867255E-06 -6.5140102E-07 3.1404507E-07 -1.1059694E-07 2.5817409E-08 2 5.9716659E+05 1.4642764E-05 -7.4104814E-06 3.5694017E-06 -1.2642120E-06 2.9450863E-07 3 1.2335435E+05 1.2344002E-04 -6.2856515E-05 3.0346733E-05 -1.0681093E-05 2.4941728E-06 4 3.1311570E+04 8.7174259E-04 -4.4411039E-04 2.1423755E-04 -7.5893062E-05 1.7681158E-05 5 9.3784042E+03 5.0408518E-03 -2.5907297E-03 1.2533556E-03 -4.4151417E-04 1.0308809E-04 6 3.2319646E+03 2.3288401E-02 -1.2083980E-02 5.8542697E-03 -2.0752059E-03 4.8354851E-04 7 1.2468028E+03 8.4151595E-02 -4.4990064E-02 2.1967523E-02 -7.7511926E-03 1.8102754E-03 8 5.2417826E+02 2.2425450E-01 -1.2534324E-01 6.1803435E-02 -2.2010795E-02 5.1287006E-03 9 2.3443343E+02 3.8735427E-01 -2.3129023E-01 1.1618574E-01 -4.1085635E-02 9.6125623E-03 10 1.0943467E+02 3.3195191E-01 -1.4386719E-01 6.2687759E-02 -2.2384178E-02 5.1451818E-03 11 5.1596459E+01 8.9219772E-02 3.3551594E-01 -2.5100704E-01 9.8744240E-02 -2.3052666E-02 12 2.5499633E+01 -9.7536475E-04 5.9431783E-01 -4.7846327E-01 1.8177858E-01 -4.3192805E-02 13 1.2442323E+01 -1.0801289E-03 2.1047678E-01 1.3412466E-01 -7.6807749E-02 1.9765216E-02 14 6.0336878E+00 -2.2473162E-03 8.6634979E-03 7.0733500E-01 -4.0920898E-01 9.7989974E-02 15 2.8538346E+00 -1.6207798E-03 2.3793013E-03 3.4283355E-01 -1.1390847E-01 2.9312695E-02 16 1.0816732E+00 -1.5206936E-03 -5.1778159E-04 2.1215843E-02 6.1863451E-01 -1.8980980E-01 17 4.2611713E-01 -1.4303316E-03 2.7179659E-04 -1.4075352E-03 5.2591491E-01 -1.7512293E-01 18 9.4113870E-02 -1.3577145E-03 9.7453425E-07 4.3267826E-05 4.5327901E-02 5.1040332E-01 19 3.1478343E-02 -7.4452349E-04 5.5785237E-05 -2.2556169E-04 -8.8015004E-03 6.1814425E-01 3d 4d 5d 1 3.2327768E+03 9.7048234E-04 -4.7777579E-04 9.7235486E-05 2 8.8711987E+02 1.0124596E-02 -5.0077101E-03 1.0092540E-03 3 3.2612272E+02 5.5223714E-02 -2.7721656E-02 5.6498094E-03 4 1.3752981E+02 1.8686544E-01 -9.5617342E-02 1.9359159E-02 5 6.2536976E+01 3.7891427E-01 -1.9283384E-01 3.9532974E-02 6 2.9611883E+01 4.0346623E-01 -1.5466299E-01 2.8609341E-02 7 1.4021582E+01 1.5859797E-01 2.2613516E-01 -5.6237384E-02 8 6.5021130E+00 1.2549982E-02 5.4794265E-01 -1.3591543E-01 9 2.8583293E+00 1.1980061E-03 3.5262648E-01 -3.6000459E-02 10 1.0146209E+00 -2.8213193E-04 4.6128175E-02 2.9052807E-01 11 3.3669317E-01 5.4310014E-05 -3.1268826E-03 5.3800882E-01 12 9.6159372E-02 -5.3804911E-05 1.0249421E-03 4.2371236E-01 4f 1 2.3344044E+02 4.3315336E-03 2 7.9161338E+01 3.3120007E-02 3 3.2390745E+01 1.2385528E-01 4 1.4387505E+01 2.7475493E-01 5 6.4595828E+00 3.7458116E-01 6 2.8070528E+00 3.4302577E-01 7 1.1279960E+00 2.0223688E-01 8 3.8547549E-01 5.2926210E-02 Foldy-Wouthuysen functions -------------------------- 1s 2s 3s 4s 5s 6s 1 5.8724362E+07 3.6317056E-04 -1.3877729E-04 6.5720619E-05 3.2122914E-05 1.2661447E-05 -3.4310645E-06 2 1.4174720E+07 8.7672909E-04 -3.3564030E-04 1.5908383E-04 7.7623790E-05 3.0598741E-05 -8.2940058E-06 3 4.2301412E+06 1.8021170E-03 -6.9082105E-04 3.2721787E-04 1.6007196E-04 6.3092862E-05 -1.7095293E-05 4 1.3766740E+06 3.5021048E-03 -1.3483917E-03 6.3983979E-04 3.1207012E-04 1.2303036E-04 -3.3351356E-05 5 4.8186640E+05 6.6848346E-03 -2.5864242E-03 1.2269044E-03 6.0064502E-04 2.3675909E-04 -6.4147836E-05 6 1.7839897E+05 1.2747419E-02 -4.9804801E-03 2.3704881E-03 1.1562361E-03 4.5593127E-04 -1.2358722E-04 7 6.9459976E+04 2.4619455E-02 -9.7305627E-03 4.6341616E-03 2.2711575E-03 8.9519783E-04 -2.4254027E-04 8 2.8270903E+04 4.8292390E-02 -1.9488573E-02 9.3342279E-03 4.5584673E-03 1.7995198E-03 -4.8787674E-04 9 1.1977089E+04 9.4390520E-02 -3.9266065E-02 1.8861240E-02 9.2678387E-03 3.6534830E-03 -9.8989212E-04 10 5.2603310E+03 1.7458039E-01 -7.7238604E-02 3.7581139E-02 1.8383914E-02 7.2610691E-03 -1.9685451E-03 11 2.3867192E+03 2.7783368E-01 -1.3687295E-01 6.7675259E-02 3.3578016E-02 1.3256593E-02 -3.5922183E-03 12 1.1151597E+03 3.1934893E-01 -1.9114852E-01 9.8679391E-02 4.8743644E-02 1.9332639E-02 -5.2454696E-03 13 5.3340834E+02 1.9831299E-01 -1.1215137E-01 5.6637977E-02 2.9135609E-02 1.1470346E-02 -3.1039014E-03 14 2.4678923E+02 3.7016663E-02 2.6828510E-01 -1.9954466E-01 -1.1133934E-01 -4.4825320E-02 1.2172957E-02 15 1.2368928E+02 -2.7522839E-03 5.7237417E-01 -5.7560308E-01 -3.3083949E-01 -1.3632247E-01 3.7189055E-02 16 6.3286918E+01 1.4532552E-03 3.0339511E-01 -2.9270681E-01 -1.9922250E-01 -8.3350061E-02 2.2717103E-02 17 3.0620000E+01 -9.0585573E-04 3.1086641E-02 7.2029815E-01 7.4251228E-01 3.4431061E-01 -9.5273926E-02 18 1.5952213E+01 4.3946856E-04 -1.7192987E-03 6.2151137E-01 7.6949567E-01 3.8420054E-01 -1.0776892E-01 19 7.0553938E+00 -1.9975558E-04 4.1732546E-04 6.8978240E-02 -7.6628161E-01 -5.4780312E-01 1.6079932E-01 20 3.4448123E+00 8.5622160E-05 -2.7051135E-04 -4.6344524E-03 -7.6030174E-01 -7.2422570E-01 2.2692286E-01 21 1.0698259E+00 -2.9111092E-05 7.5573295E-05 1.4119070E-03 -4.5968348E-02 7.4029347E-01 -2.9665232E-01 22 4.7693821E-01 1.2866119E-05 -3.0656685E-05 -6.6045041E-04 8.7612887E-03 6.3049395E-01 -4.1384587E-01 23 9.1539500E-02 -3.5273144E-06 8.6079236E-06 1.5587550E-04 -1.8347623E-03 2.4364669E-02 6.2753873E-01 24 3.5867710E-02 1.5101455E-06 -3.9891959E-06 -6.7128817E-05 7.9084827E-04 -4.9775310E-03 5.6535419E-01 2p 3p 4p 5p 6p 1 4.0497329E+06 5.4379160E-05 -2.7258710E-05 1.3136488E-05 -4.6233783E-06 1.0794632E-06 2 5.9716659E+05 2.0016202E-04 -1.0047679E-04 4.8263778E-05 -1.7091252E-05 3.9806803E-06 3 1.2335435E+05 6.9000383E-04 -3.4880385E-04 1.6840968E-04 -5.9254215E-05 1.3838523E-05 4 3.1311570E+04 2.3719072E-03 -1.2052807E-03 5.8070861E-04 -2.0572885E-04 4.7921765E-05 5 9.3784042E+03 8.4759816E-03 -4.3576780E-03 2.1099259E-03 -7.4318000E-04 1.7354573E-04 6 3.2319646E+03 2.9978117E-02 -1.5609538E-02 7.5670659E-03 -2.6831730E-03 6.2518165E-04 7 1.2468028E+03 9.4817371E-02 -5.0924510E-02 2.4895224E-02 -8.7853946E-03 2.0519142E-03 8 5.2417826E+02 2.3656897E-01 -1.3286188E-01 6.5579673E-02 -2.3362065E-02 5.4435802E-03 9 2.3443343E+02 3.9546813E-01 -2.3703360E-01 1.1918151E-01 -4.2150051E-02 9.8619838E-03 10 1.0943467E+02 3.3416086E-01 -1.4410620E-01 6.2536441E-02 -2.2322718E-02 5.1292725E-03 11 5.1596459E+01 9.1143912E-02 3.3778291E-01 -2.5316977E-01 9.9629069E-02 -2.3260056E-02 12 2.5499633E+01 1.2922464E-03 5.9415242E-01 -4.7900047E-01 1.8199677E-01 -4.3246637E-02 13 1.2442323E+01 1.1412596E-03 2.0978595E-01 1.3526883E-01 -7.7342595E-02 1.9896012E-02 14 6.0336878E+00 -6.3904133E-04 8.5581968E-03 7.0768607E-01 -4.0950120E-01 9.8061077E-02 15 2.8538346E+00 2.1312638E-04 2.2882281E-03 3.4297756E-01 -1.1389382E-01 2.9308055E-02 16 1.0816732E+00 -7.7549304E-05 -5.7882656E-04 2.1428366E-02 6.1864659E-01 -1.8982394E-01 17 4.2611713E-01 2.8865032E-05 2.0701875E-04 -1.1737090E-03 5.2585335E-01 -1.7510946E-01 18 9.4113870E-02 -7.7678874E-06 -5.8172224E-05 2.5917529E-04 4.5289094E-02 5.1042015E-01 19 3.1478343E-02 3.0579001E-06 2.2995990E-05 -1.0581753E-04 -8.8232334E-03 6.1815042E-01 3d 4d 5d 1 3.2327768E+03 1.3528276E-03 -6.6578628E-04 1.3545707E-04 2 8.8711987E+02 1.1374177E-02 -5.6303951E-03 1.1349660E-03 3 3.2612272E+02 5.8002184E-02 -2.9141173E-02 5.9396667E-03 4 1.3752981E+02 1.9076102E-01 -9.7688326E-02 1.9780873E-02 5 6.2536976E+01 3.8205295E-01 -1.9451817E-01 3.9881122E-02 6 2.9611883E+01 4.0450328E-01 -1.5490023E-01 2.8638719E-02 7 1.4021582E+01 1.5883305E-01 2.2681159E-01 -5.6407212E-02 8 6.5021130E+00 1.2808108E-02 5.4825915E-01 -1.3600894E-01 9 2.8583293E+00 1.3816117E-03 3.5266563E-01 -3.5981263E-02 10 1.0146209E+00 -1.7532598E-04 4.6165555E-02 2.9057060E-01 11 3.3669317E-01 9.8263054E-05 -3.1039513E-03 5.3802520E-01 12 9.6159372E-02 -2.8666090E-05 1.0370676E-03 4.2371753E-01 4f 1 2.3344044E+02 4.5393875E-03 2 7.9161338E+01 3.3642804E-02 3 3.2390745E+01 1.2463585E-01 4 1.4387505E+01 2.7541721E-01 5 6.4595828E+00 3.7493607E-01 6 2.8070528E+00 3.4314791E-01 7 1.1279960E+00 2.0227214E-01 8 3.8547549E-01 5.2933652E-02 ** Ta 181 ** Large component functions ------------------------- 1s 2s 3s 4s 5s 6s 1 5.9022427E+07 1.4333334E-04 -5.4162489E-05 2.5661311E-05 1.2567588E-05 5.0331945E-06 -1.3973333E-06 2 1.4333913E+07 3.7442978E-04 -1.4201800E-04 6.7341298E-05 3.2973211E-05 1.3207056E-05 -3.6665948E-06 3 4.3049975E+06 8.5773821E-04 -3.2677078E-04 1.5500201E-04 7.5947807E-05 3.0417175E-05 -8.4446188E-06 4 1.4086043E+06 1.8547312E-03 -7.1184139E-04 3.3821302E-04 1.6564270E-04 6.6356502E-05 -1.8422383E-05 5 4.9523899E+05 3.9851295E-03 -1.5431956E-03 7.3374624E-04 3.5984203E-04 1.4412636E-04 -4.0014192E-05 6 1.8397293E+05 8.5607920E-03 -3.3571981E-03 1.6008994E-03 7.8436700E-04 3.1430657E-04 -8.7262068E-05 7 7.1813900E+04 1.8494862E-02 -7.3571532E-03 3.5116718E-03 1.7248268E-03 6.9090154E-04 -1.9182385E-04 8 2.9282889E+04 3.9762396E-02 -1.6158236E-02 7.7525645E-03 3.8008852E-03 1.5238021E-03 -4.2307459E-04 9 1.2421670E+04 8.3117587E-02 -3.4806029E-02 1.6744258E-02 8.2482165E-03 3.3046906E-03 -9.1758969E-04 10 5.4600712E+03 1.6092314E-01 -7.1438712E-02 3.4821781E-02 1.7112624E-02 6.8683151E-03 -1.9071481E-03 11 2.4784888E+03 2.6490321E-01 -1.3029542E-01 6.4403112E-02 3.2006155E-02 1.2837258E-02 -3.5652765E-03 12 1.1582358E+03 3.1393981E-01 -1.8570688E-01 9.5738718E-02 4.7458051E-02 1.9123407E-02 -5.3120723E-03 13 5.5401499E+02 2.0188727E-01 -1.1306836E-01 5.6811266E-02 2.9173605E-02 1.1661331E-02 -3.2403260E-03 14 2.5674424E+02 4.0045537E-02 2.5993026E-01 -1.9436659E-01 -1.0882904E-01 -4.4534948E-02 1.2411589E-02 15 1.2874781E+02 -2.2556095E-03 5.6850737E-01 -5.7039825E-01 -3.2896774E-01 -1.3776842E-01 3.8466323E-02 16 6.5927305E+01 1.5156948E-03 3.0792279E-01 -2.9951105E-01 -2.0341421E-01 -8.6496316E-02 2.4261864E-02 17 3.1897992E+01 -8.7589626E-04 3.2474353E-02 7.1339749E-01 7.3785455E-01 3.4819493E-01 -9.9028268E-02 18 1.6634012E+01 4.4785551E-04 -1.7390849E-03 6.2648844E-01 7.7860559E-01 3.9593122E-01 -1.1363788E-01 19 7.3788907E+00 -1.9860950E-04 4.4898493E-04 7.1015093E-02 -7.5759779E-01 -5.5312214E-01 1.6639179E-01 20 3.6211558E+00 9.0866679E-05 -2.8260665E-04 -4.8312360E-03 -7.6911545E-01 -7.4985153E-01 2.4347934E-01 21 1.1456183E+00 -3.0442055E-05 8.5533599E-05 1.4685084E-03 -4.7801211E-02 7.5107664E-01 -3.1914361E-01 22 5.1525406E-01 1.3778944E-05 -3.4043204E-05 -6.8702773E-04 8.9651343E-03 6.3294664E-01 -4.1391676E-01 23 1.0245270E-01 -3.5518874E-06 9.1823508E-06 1.6124139E-04 -1.8415193E-03 2.5309382E-02 6.1901079E-01 24 3.9305199E-02 1.5087909E-06 -3.9683338E-06 -6.7198235E-05 7.6884562E-04 -4.7201427E-03 5.7954929E-01 2p 3p 4p 5p 6p 1 4.4160912E+06 5.4767765E-05 -2.7706165E-05 1.3397746E-05 -4.8360821E-06 1.1417259E-06 2 6.5418532E+05 1.8953378E-04 -9.5968680E-05 4.6411258E-05 -1.6761623E-05 3.9563417E-06 3 1.3520798E+05 6.1171374E-04 -3.1077424E-04 1.5044779E-04 -5.4282968E-05 1.2819125E-05 4 3.4242298E+04 2.0525069E-03 -1.0476456E-03 5.0746096E-04 -1.8352135E-04 4.3300786E-05 5 1.0208162E+04 7.4382960E-03 -3.8369561E-03 1.8644708E-03 -6.7243687E-04 1.5888851E-04 6 3.4979130E+03 2.7037791E-02 -1.4118178E-02 6.8729336E-03 -2.4907447E-03 5.8748838E-04 7 1.3422513E+03 8.7814571E-02 -4.7218440E-02 2.3172744E-02 -8.3666244E-03 1.9781046E-03 8 5.6185991E+02 2.2518313E-01 -1.2642088E-01 6.2599021E-02 -2.2797465E-02 5.3761751E-03 9 2.5041060E+02 3.8880024E-01 -2.3282535E-01 1.1750880E-01 -4.2522782E-02 1.0073944E-02 10 1.1658027E+02 3.4318074E-01 -1.5617504E-01 6.9732496E-02 -2.5463139E-02 5.9243334E-03 11 5.4881478E+01 9.9551748E-02 3.1580758E-01 -2.3836340E-01 9.6091019E-02 -2.2689554E-02 12 2.7116673E+01 1.7261800E-03 5.9857905E-01 -4.8605715E-01 1.8955757E-01 -4.5691918E-02 13 1.3291556E+01 1.3684209E-03 2.2472945E-01 1.0324025E-01 -6.4642075E-02 1.7310133E-02 14 6.4414429E+00 -7.5799711E-04 1.1068008E-02 7.0769000E-01 -4.1979220E-01 1.0183627E-01 15 3.0564694E+00 2.6727258E-04 2.1581237E-03 3.6141350E-01 -1.3380242E-01 3.5205914E-02 16 1.1651775E+00 -9.7512599E-05 -5.4032743E-04 2.3710471E-02 6.2744549E-01 -1.9948357E-01 17 4.6212003E-01 3.6554483E-05 1.8880486E-04 -1.3930124E-03 5.2552078E-01 -1.6982441E-01 18 1.0266474E-01 -9.6422794E-06 -5.3363142E-05 3.0927661E-04 4.4461375E-02 5.1290817E-01 19 3.3603855E-02 3.7244277E-06 2.0643456E-05 -1.2226806E-04 -8.3964997E-03 6.1797947E-01 3d 4d 5d 1 3.3975024E+03 1.2546587E-03 -6.2241058E-04 1.4007782E-04 2 9.2970424E+02 1.0852000E-02 -5.4135042E-03 1.2067012E-03 3 3.4126697E+02 5.6218163E-02 -2.8449754E-02 6.4198803E-03 4 1.4381749E+02 1.8711611E-01 -9.6541259E-02 2.1612757E-02 5 6.5402304E+01 3.7887442E-01 -1.9442424E-01 4.4167019E-02 6 3.0989569E+01 4.0577144E-01 -1.5815271E-01 3.2229737E-02 7 1.4701795E+01 1.6207329E-01 2.2224927E-01 -6.1367986E-02 8 6.8355392E+00 1.3554118E-02 5.4839650E-01 -1.5240956E-01 9 3.0251857E+00 1.3811984E-03 3.5461338E-01 -3.8121605E-02 10 1.0875543E+00 -1.9101015E-04 4.6420634E-02 3.1903867E-01 11 3.7659330E-01 1.0329577E-04 -3.2850144E-03 5.4170222E-01 12 1.1242152E-01 -3.1847712E-05 1.1287094E-03 3.7922688E-01 4f 1 2.5835941E+02 3.9864075E-03 2 8.7672872E+01 3.0456441E-02 3 3.6056772E+01 1.1588606E-01 4 1.6118087E+01 2.6527990E-01 5 7.3210098E+00 3.7285565E-01 6 3.2370475E+00 3.4889513E-01 7 1.3357291E+00 2.0511875E-01 8 4.7476634E-01 5.2528139E-02 Pseudo-large component functions -------------------------------- 1s 2s 3s 4s 5s 6s 1 5.9022427E+07 3.9824158E-06 -1.5007095E-06 7.1042736E-07 3.4810108E-07 1.3938684E-07 -3.8697142E-08 2 1.4333913E+07 2.8668768E-05 -1.0810964E-05 5.1233138E-06 2.5067055E-06 1.0041188E-06 -2.7876414E-07 3 4.3049975E+06 1.1430707E-04 -4.3102524E-05 2.0404008E-05 9.9999684E-06 4.0040144E-06 -1.1116136E-06 4 1.4086043E+06 4.0935314E-04 -1.5460288E-04 7.3299953E-05 3.5854200E-05 1.4363607E-05 -3.9876303E-06 5 4.9523899E+05 1.3183802E-03 -4.9831099E-04 2.3593553E-04 1.1568017E-04 4.6315838E-05 -1.2858501E-05 6 1.8397293E+05 3.9718583E-03 -1.5074294E-03 7.1545542E-04 3.4989992E-04 1.4019328E-04 -3.8920633E-05 7 7.1813900E+04 1.1162679E-02 -4.2585356E-03 2.0189243E-03 9.9069034E-04 3.9664217E-04 -1.1012012E-04 8 2.9282889E+04 2.9262511E-02 -1.1324508E-02 5.3947470E-03 2.6390539E-03 1.0577183E-03 -2.9365129E-04 9 1.2421670E+04 7.0442089E-02 -2.7953325E-02 1.3337485E-02 6.5602226E-03 2.6270335E-03 -7.2938907E-04 10 5.4600712E+03 1.5009843E-01 -6.3030961E-02 3.0481715E-02 1.4947362E-02 5.9971030E-03 -1.6651286E-03 11 2.4784888E+03 2.6281271E-01 -1.2238971E-01 6.0041536E-02 2.9793540E-02 1.1944671E-02 -3.3172117E-03 12 1.1582358E+03 3.2337657E-01 -1.8185068E-01 9.3198087E-02 4.6131719E-02 1.8583559E-02 -5.1618690E-03 13 5.5401499E+02 2.1231014E-01 -1.1584332E-01 5.8581003E-02 3.0100472E-02 1.2040018E-02 -3.3457513E-03 14 2.5674424E+02 4.2560450E-02 2.5558300E-01 -1.8904741E-01 -1.0567253E-01 -4.3218802E-02 1.2044153E-02 15 1.2874781E+02 -2.4256721E-03 5.7082638E-01 -5.6796810E-01 -3.2704682E-01 -1.3691724E-01 3.8226597E-02 16 6.5927305E+01 1.6258565E-03 3.1037656E-01 -3.0148092E-01 -2.0483890E-01 -8.7125958E-02 2.4439464E-02 17 3.1897992E+01 -9.3966181E-04 3.2998648E-02 7.1250414E-01 7.3552643E-01 3.4695628E-01 -9.8671648E-02 18 1.6634012E+01 4.8373271E-04 -1.9128338E-03 6.2804293E-01 7.7946460E-01 3.9633883E-01 -1.1375285E-01 19 7.3788907E+00 -2.1569567E-04 5.6073982E-04 7.0998881E-02 -7.5744249E-01 -5.5271268E-01 1.6625441E-01 20 3.6211558E+00 9.9046844E-05 -3.5270068E-04 -4.7325446E-03 -7.6942522E-01 -7.4992624E-01 2.4350100E-01 21 1.1456183E+00 -3.3686034E-05 1.2690822E-04 1.4058798E-03 -4.7848582E-02 7.5102808E-01 -3.1910155E-01 22 5.1525406E-01 1.5515539E-05 -6.2325641E-05 -6.4313645E-04 8.9860416E-03 6.3301006E-01 -4.1393123E-01 23 1.0245270E-01 -4.2324977E-06 2.5116830E-05 1.3582147E-04 -1.8516007E-03 2.5299291E-02 6.1901217E-01 24 3.9305199E-02 1.9271047E-06 -1.5515210E-05 -4.8600864E-05 7.7585054E-04 -4.7121505E-03 5.7954951E-01 2p 3p 4p 5p 6p 1 4.4160912E+06 1.2259696E-06 -6.2227486E-07 3.0130166E-07 -1.0852969E-07 2.5647894E-08 2 6.5418532E+05 1.3772868E-05 -6.9893708E-06 3.3795355E-06 -1.2240364E-06 2.8857209E-07 3 1.3520798E+05 1.1488895E-04 -5.8658682E-05 2.8445407E-05 -1.0240281E-05 2.4209526E-06 4 3.4242298E+04 8.0811315E-04 -4.1284215E-04 1.9992474E-04 -7.2427663E-05 1.7076282E-05 5 1.0208162E+04 4.6902545E-03 -2.4167519E-03 1.1743046E-03 -4.2309882E-04 1.0001375E-04 6 3.4979130E+03 2.1851640E-02 -1.1363699E-02 5.5261306E-03 -2.0032313E-03 4.7239094E-04 7 1.3422513E+03 7.9890041E-02 -4.2762725E-02 2.0965841E-02 -7.5664333E-03 1.7890673E-03 8 5.6185991E+02 2.1639102E-01 -1.2097259E-01 5.9842966E-02 -2.1792332E-02 5.1387468E-03 9 2.5041060E+02 3.8303196E-01 -2.2877611E-01 1.1541377E-01 -4.1758056E-02 9.8930238E-03 10 1.1658027E+02 3.4093877E-01 -1.5568607E-01 6.9722973E-02 -2.5476397E-02 5.9282052E-03 11 5.4881478E+01 9.7135435E-02 3.1485099E-01 -2.3710132E-01 9.5551989E-02 -2.2560643E-02 12 2.7116673E+01 -6.9084916E-04 5.9911402E-01 -4.8590088E-01 1.8947752E-01 -4.5671889E-02 13 1.3291556E+01 -9.3020098E-04 2.2524649E-01 1.0250971E-01 -6.4269044E-02 1.7218121E-02 14 6.4414429E+00 -2.4376312E-03 1.1156882E-02 7.0746332E-01 -4.1959157E-01 1.0178566E-01 15 3.0564694E+00 -1.6275003E-03 2.2441110E-03 3.6123033E-01 -1.3377432E-01 3.5201603E-02 16 1.1651775E+00 -1.5899503E-03 -4.7765760E-04 2.3479163E-02 6.2746857E-01 -1.9948004E-01 17 4.6212003E-01 -1.4794143E-03 2.5429260E-04 -1.6380215E-03 5.2558388E-01 -1.6983885E-01 18 1.0266474E-01 -1.4190537E-03 6.9641633E-06 8.2530649E-05 4.4500691E-02 5.1289313E-01 19 3.3603855E-02 -7.9099691E-04 5.4777611E-05 -2.5037366E-04 -8.3731835E-03 6.1797248E-01 3d 4d 5d 1 3.3975024E+03 9.4083455E-04 -4.6655431E-04 1.0515721E-04 2 9.2970424E+02 9.8671601E-03 -4.9175617E-03 1.0955249E-03 3 3.4126697E+02 5.4125610E-02 -2.7366895E-02 6.1756938E-03 4 1.4381749E+02 1.8432891E-01 -9.5039337E-02 2.1273070E-02 5 6.5402304E+01 3.7668674E-01 -1.9324509E-01 4.3899105E-02 6 3.0989569E+01 4.0499019E-01 -1.5798466E-01 3.2207559E-02 7 1.4701795E+01 1.6174720E-01 2.2185009E-01 -6.1248331E-02 8 6.8355392E+00 1.3268627E-02 5.4820789E-01 -1.5234432E-01 9 3.0251857E+00 1.1881916E-03 3.5456990E-01 -3.8134451E-02 10 1.0875543E+00 -3.0232510E-04 4.6375036E-02 3.1900710E-01 11 3.7659330E-01 5.7826027E-05 -3.3089280E-03 5.4169068E-01 12 1.1242152E-01 -6.0063932E-05 1.1150258E-03 3.7922138E-01 4f 1 2.5835941E+02 3.8308769E-03 2 8.7672872E+01 3.0077015E-02 3 3.6056772E+01 1.1531692E-01 4 1.6118087E+01 2.6479015E-01 5 7.3210098E+00 3.7257343E-01 6 3.2370475E+00 3.4878983E-01 7 1.3357291E+00 2.0508287E-01 8 4.7476634E-01 5.2518278E-02 Foldy-Wouthuysen functions -------------------------- 1s 2s 3s 4s 5s 6s 1 5.9022427E+07 3.8395606E-04 -1.4738488E-04 6.9936577E-05 3.4291095E-05 1.3733469E-05 -3.8130235E-06 2 1.4333913E+07 9.2131648E-04 -3.5430825E-04 1.6826149E-04 8.2370514E-05 3.2991231E-05 -9.1598585E-06 3 4.3049975E+06 1.8818069E-03 -7.2466074E-04 3.4393876E-04 1.6877528E-04 6.7594157E-05 -1.8767087E-05 4 1.4086043E+06 3.6343430E-03 -1.4057231E-03 6.6835063E-04 3.2705197E-04 1.3100605E-04 -3.6373397E-05 5 4.9523899E+05 6.8955130E-03 -2.6804415E-03 1.2740763E-03 6.2567607E-04 2.5059720E-04 -6.9578376E-05 6 1.8397293E+05 1.3063844E-02 -5.1286490E-03 2.4458238E-03 1.1969455E-03 4.7956043E-04 -1.3313433E-04 7 7.1813900E+04 2.5052236E-02 -9.9517056E-03 4.7492841E-03 2.3348552E-03 9.3512395E-04 -2.5963562E-04 8 2.9282889E+04 4.8776450E-02 -1.9786047E-02 9.4962785E-03 4.6530511E-03 1.8663702E-03 -5.1823576E-04 9 1.2421670E+04 9.4685063E-02 -3.9593617E-02 1.9059329E-02 9.3946856E-03 3.7631158E-03 -1.0448677E-03 10 5.4600712E+03 1.7423363E-01 -7.7431438E-02 3.7753233E-02 1.8530161E-02 7.4366393E-03 -2.0648380E-03 11 2.4784888E+03 2.7663552E-01 -1.3668145E-01 6.7709528E-02 3.3698803E-02 1.3518441E-02 -3.7543908E-03 12 1.1582358E+03 3.1855025E-01 -1.9046044E-01 9.8457536E-02 4.8796029E-02 1.9665244E-02 -5.4629239E-03 13 5.5401499E+02 1.9935061E-01 -1.1227610E-01 5.6651836E-02 2.9191824E-02 1.1675415E-02 -3.2447413E-03 14 2.5674424E+02 3.7885064E-02 2.6489363E-01 -1.9761889E-01 -1.1064277E-01 -4.5275091E-02 1.2618557E-02 15 1.2874781E+02 -2.7384088E-03 5.7084828E-01 -5.7380283E-01 -3.3106513E-01 -1.3867687E-01 3.8721039E-02 16 6.5927305E+01 1.4639478E-03 3.0680317E-01 -2.9825446E-01 -2.0292199E-01 -8.6292561E-02 2.4204935E-02 17 3.1897992E+01 -9.1734151E-04 3.2134507E-02 7.1525086E-01 7.3988203E-01 3.4915496E-01 -9.9302749E-02 18 1.6634012E+01 4.4797574E-04 -1.8573837E-03 6.2626310E-01 7.7840671E-01 3.9588442E-01 -1.1362458E-01 19 7.3788907E+00 -2.0650246E-04 4.7387657E-04 7.0814887E-02 -7.5822632E-01 -5.5355798E-01 1.6652276E-01 20 3.6211558E+00 8.9624721E-05 -2.9643345E-04 -4.8473697E-03 -7.6904911E-01 -7.4982338E-01 2.4347454E-01 21 1.1456183E+00 -3.1004157E-05 8.5038976E-05 1.4778832E-03 -4.7755575E-02 7.5117061E-01 -3.1918119E-01 22 5.1525406E-01 1.3723711E-05 -3.4809947E-05 -6.9251648E-04 8.9622469E-03 6.3292910E-01 -4.1391197E-01 23 1.0245270E-01 -3.7139609E-06 9.5829248E-06 1.6081814E-04 -1.8438277E-03 2.5306025E-02 6.1901608E-01 24 3.9305199E-02 1.5384505E-06 -4.3067414E-06 -6.6863691E-05 7.7000731E-04 -4.7199343E-03 5.7954825E-01 2p 3p 4p 5p 6p 1 4.4160912E+06 5.3706580E-05 -2.6991778E-05 1.3063930E-05 -4.7027926E-06 1.1116959E-06 2 6.5418532E+05 1.9692583E-04 -9.9115985E-05 4.7794439E-05 -1.7307165E-05 4.0788580E-06 3 1.3520798E+05 6.7427802E-04 -3.4170513E-04 1.6570280E-04 -5.9633876E-05 1.4101605E-05 4 3.4242298E+04 2.2943840E-03 -1.1688962E-03 5.6533945E-04 -2.0481174E-04 4.8276739E-05 5 1.0208162E+04 8.1146983E-03 -4.1820293E-03 2.0337101E-03 -7.3268175E-04 1.7322576E-04 6 3.4979130E+03 2.8570585E-02 -1.4909498E-02 7.2550240E-03 -2.6307494E-03 6.2032110E-04 7 1.3422513E+03 9.0720241E-02 -4.8786783E-02 2.3949050E-02 -8.6442990E-03 2.0440639E-03 8 5.6185991E+02 2.2913269E-01 -1.2873077E-01 6.3750320E-02 -2.3221818E-02 5.4758193E-03 9 2.5041060E+02 3.9170898E-01 -2.3489795E-01 1.1861969E-01 -4.2923854E-02 1.0169705E-02 10 1.1658027E+02 3.4336990E-01 -1.5615592E-01 6.9699746E-02 -2.5461134E-02 5.9227126E-03 11 5.4881478E+01 9.9065531E-02 3.1723371E-01 -2.3934657E-01 9.6490373E-02 -2.2783185E-02 12 2.7116673E+01 1.6471306E-03 5.9903839E-01 -4.8657028E-01 1.8975862E-01 -4.5742020E-02 13 1.3291556E+01 1.3639838E-03 2.2450348E-01 1.0369989E-01 -6.4835950E-02 1.7358976E-02 14 6.4414429E+00 -7.5934570E-04 1.1042096E-02 7.0786203E-01 -4.1992491E-01 1.0186806E-01 15 3.0564694E+00 2.6651897E-04 2.1504403E-03 3.6137284E-01 -1.3375720E-01 3.5196137E-02 16 1.1651775E+00 -9.7399760E-05 -5.3874407E-04 2.3698493E-02 6.2748479E-01 -1.9949730E-01 17 4.6212003E-01 3.6464411E-05 1.8817654E-04 -1.3935894E-03 5.2551765E-01 -1.6982343E-01 18 1.0266474E-01 -9.6118496E-06 -5.3313223E-05 3.0955815E-04 4.4459991E-02 5.1291113E-01 19 3.3603855E-02 3.7113631E-06 2.0616324E-05 -1.2234732E-04 -8.3964786E-03 6.1797936E-01 3d 4d 5d 1 3.3975024E+03 1.3280694E-03 -6.5836442E-04 1.4833506E-04 2 9.2970424E+02 1.1139899E-02 -5.5565390E-03 1.2381386E-03 3 3.4126697E+02 5.6971211E-02 -2.8831115E-02 6.5067325E-03 4 1.4381749E+02 1.8835221E-01 -9.7194272E-02 2.1758322E-02 5 6.5402304E+01 3.7995998E-01 -1.9501611E-01 4.4304856E-02 6 3.0989569E+01 4.0608711E-01 -1.5824969E-01 3.2244313E-02 7 1.4701795E+01 1.6198987E-01 2.2255754E-01 -6.1445410E-02 8 6.8355392E+00 1.3536565E-02 5.4854426E-01 -1.5245630E-01 9 3.0251857E+00 1.3791195E-03 3.5460998E-01 -3.8109859E-02 10 1.0875543E+00 -1.9057622E-04 4.6413598E-02 3.1905765E-01 11 3.7659330E-01 1.0312969E-04 -3.2849540E-03 5.4170810E-01 12 1.1242152E-01 -3.1810450E-05 1.1287001E-03 3.7922714E-01 4f 1 2.5835941E+02 4.0330111E-03 2 8.7672872E+01 3.0604112E-02 3 3.6056772E+01 1.1613110E-01 4 1.6118087E+01 2.6551659E-01 5 7.3210098E+00 3.7297717E-01 6 3.2370475E+00 3.4893283E-01 7 1.3357291E+00 2.0512292E-01 8 4.7476634E-01 5.2527680E-02 ** W 184 ** Large component functions ------------------------- 1s 2s 3s 4s 5s 6s 1 5.8948604E+07 1.5234436E-04 -5.7827047E-05 2.7449995E-05 1.3487579E-05 -5.4830692E-06 -1.5466378E-06 2 1.4407022E+07 3.9524186E-04 -1.5059412E-04 7.1545059E-05 3.5146681E-05 -1.4289908E-05 -4.0307679E-06 3 4.3563174E+06 8.9861287E-04 -3.4391778E-04 1.6345138E-04 8.0350001E-05 -3.2665348E-05 -9.2142671E-06 4 1.4337345E+06 1.9281059E-03 -7.4345201E-04 3.5391882E-04 1.7390670E-04 -7.0718054E-05 -1.9947581E-05 5 5.0654803E+05 4.1113311E-03 -1.5996780E-03 7.6210495E-04 3.7497391E-04 -1.5245104E-04 -4.3005091E-05 6 1.8889201E+05 8.7628967E-03 -3.4533766E-03 1.6500463E-03 8.1113724E-04 -3.2994073E-04 -9.3067522E-05 7 7.3951335E+04 1.8786423E-02 -7.5117734E-03 3.5928397E-03 1.7704841E-03 -7.1988054E-04 -2.0308494E-04 8 3.0220460E+04 4.0101130E-02 -1.6382328E-02 7.8763425E-03 3.8745829E-03 -1.5768281E-03 -4.4478473E-04 9 1.2839746E+04 8.3311856E-02 -3.5074120E-02 1.6908903E-02 8.3566538E-03 -3.3985912E-03 -9.5888767E-04 10 5.6500529E+03 1.6055837E-01 -7.1615885E-02 3.4979391E-02 1.7248582E-02 -7.0277393E-03 -1.9824589E-03 11 2.5665602E+03 2.6365843E-01 -1.3011622E-01 6.4436860E-02 3.2125996E-02 -1.3079213E-02 -3.6914623E-03 12 1.1998849E+03 3.1275475E-01 -1.8490040E-01 9.5450278E-02 4.7474135E-02 -1.9421070E-02 -5.4795799E-03 13 5.7408845E+02 2.0231817E-01 -1.1252149E-01 5.6439385E-02 2.9038443E-02 -1.1774577E-02 -3.3285447E-03 14 2.6652783E+02 4.0744887E-02 2.5772322E-01 -1.9340952E-01 -1.0868651E-01 4.5152486E-02 1.2799274E-02 15 1.3372097E+02 -2.2046083E-03 5.6690983E-01 -5.6893240E-01 -3.2944001E-01 1.4015192E-01 3.9743585E-02 16 6.8527974E+01 1.5184740E-03 3.1016050E-01 -3.0308445E-01 -2.0596365E-01 8.8875839E-02 2.5395617E-02 17 3.3182103E+01 -8.8011994E-04 3.3265063E-02 7.0936504E-01 7.3675707E-01 -3.5341288E-01 -1.0235972E-01 18 1.7320994E+01 4.5289511E-04 -1.8258083E-03 6.3002523E-01 7.8586618E-01 -4.0693278E-01 -1.1868156E-01 19 7.7074188E+00 -2.0334939E-04 4.8839618E-04 7.2614583E-02 -7.5092500E-01 5.6008374E-01 1.7151635E-01 20 3.8027242E+00 9.4142908E-05 -3.0145839E-04 -5.0255795E-03 -7.7668607E-01 7.7362946E-01 2.5751104E-01 21 1.2246978E+00 -3.1878278E-05 9.2701490E-05 1.5196998E-03 -4.9342341E-02 -7.6316966E-01 -3.3892668E-01 22 5.5373359E-01 1.4348815E-05 -3.6828286E-05 -7.0837033E-04 9.0290413E-03 -6.3452805E-01 -4.1081028E-01 23 1.1256640E-01 -3.6438233E-06 9.7611445E-06 1.6333449E-04 -1.8250927E-03 -2.5770439E-02 6.1387741E-01 24 4.2396148E-02 1.5097162E-06 -4.1225514E-06 -6.6221363E-05 7.4373747E-04 4.4981845E-03 5.8804422E-01 2p 3p 4p 5p 6p 1 4.7997166E+06 5.4325729E-05 -2.7555173E-05 1.3381365E-05 -4.9302562E-06 1.1662493E-06 2 7.1488772E+05 1.8732779E-04 -9.5101448E-05 4.6185404E-05 -1.7025290E-05 4.0264344E-06 3 1.4792140E+05 5.9955772E-04 -3.0536401E-04 1.4846055E-04 -5.4677901E-05 1.2937961E-05 4 3.7396036E+04 1.9856275E-03 -1.0160475E-03 4.9417633E-04 -1.8240703E-04 4.3121094E-05 5 1.1100928E+04 7.1095236E-03 -3.6759003E-03 1.7939795E-03 -6.6047074E-04 1.5637690E-04 6 3.7831417E+03 2.5726936E-02 -1.3463330E-02 6.5801124E-03 -2.4338425E-03 5.7515666E-04 7 1.4441627E+03 8.3902985E-02 -4.5172663E-02 2.2262571E-02 -8.2051946E-03 1.9439549E-03 8 6.0191644E+02 2.1779789E-01 -1.2232407E-01 6.0780213E-02 -2.2589789E-02 5.3372256E-03 9 2.6733753E+02 3.8439865E-01 -2.3023373E-01 1.1670286E-01 -4.3122160E-02 1.0237996E-02 10 1.2413740E+02 3.5175433E-01 -1.6739773E-01 7.6485968E-02 -2.8526917E-02 6.6564054E-03 11 5.8367129E+01 1.0787281E-01 2.9465565E-01 -2.2417139E-01 9.2433980E-02 -2.1860575E-02 12 2.8829186E+01 2.2294431E-03 6.0229645E-01 -4.9243592E-01 1.9665548E-01 -4.7561178E-02 13 1.4188136E+01 1.5881458E-03 2.4006655E-01 7.1903853E-02 -5.1510892E-02 1.4318199E-02 14 6.8653384E+00 -8.7767381E-04 1.3850730E-02 7.0719832E-01 -4.2950463E-01 1.0460876E-01 15 3.2662322E+00 3.2173731E-04 1.9836206E-03 3.7914568E-01 -1.5285767E-01 4.0378837E-02 16 1.2513023E+00 -1.1779151E-04 -4.8959024E-04 2.5928601E-02 6.3593911E-01 -2.0616720E-01 17 4.9850131E-01 4.4261364E-05 1.6530528E-04 -1.5837538E-03 5.2539805E-01 -1.6407961E-01 18 1.1073115E-01 -1.1440349E-05 -4.7476436E-05 3.5393491E-04 4.3464048E-02 5.1221030E-01 19 3.5546007E-02 4.3523712E-06 1.8044268E-05 -1.3647244E-04 -8.0712576E-03 6.2007964E-01 3d 4d 5d 1 3.5742320E+03 1.2264055E-03 -6.1289119E-04 1.4871229E-04 2 9.7523342E+02 1.0591644E-02 -5.3245721E-03 1.2791371E-03 3 3.5742526E+02 5.5062205E-02 -2.8068547E-02 6.8293179E-03 4 1.5051931E+02 1.8434839E-01 -9.5850325E-02 2.3129577E-02 5 6.8457199E+01 3.7632666E-01 -1.9469723E-01 4.7703370E-02 6 3.2460256E+01 4.0749212E-01 -1.6190715E-01 3.5597589E-02 7 1.5432289E+01 1.6578949E-01 2.1681469E-01 -6.5071445E-02 8 7.1962685E+00 1.4442416E-02 5.4832926E-01 -1.6565327E-01 9 3.2085088E+00 1.3761789E-03 3.5731461E-01 -4.1536258E-02 10 1.1736226E+00 -2.0200326E-04 4.7229911E-02 3.3908571E-01 11 4.1792855E-01 1.0534384E-04 -3.2521160E-03 5.4251965E-01 12 1.2831986E-01 -3.4019941E-05 1.1683891E-03 3.5027458E-01 4f 1 2.8232299E+02 3.6262859E-03 2 9.5844068E+01 2.8230890E-02 3 3.9577243E+01 1.0957188E-01 4 1.7778761E+01 2.5763608E-01 5 8.1485999E+00 3.7135942E-01 6 3.6517667E+00 3.5339438E-01 7 1.5372681E+00 2.0675288E-01 8 5.6143065E-01 5.1642455E-02 Pseudo-large component functions -------------------------------- 1s 2s 3s 4s 5s 6s 1 5.8948604E+07 4.1751925E-06 -1.5804176E-06 7.4959401E-07 3.6848644E-07 -1.4977257E-07 -4.2248386E-08 2 1.4407022E+07 2.9870475E-05 -1.1314394E-05 5.3720774E-06 2.6370846E-06 -1.0722812E-06 -3.0244796E-07 3 4.3563174E+06 1.1793963E-04 -4.4672715E-05 2.1187839E-05 1.0417897E-05 -4.2341831E-06 -1.1944085E-06 4 1.4337345E+06 4.1906978E-04 -1.5898286E-04 7.5520315E-05 3.7062246E-05 -1.5071653E-05 -4.2510442E-06 5 5.0654803E+05 1.3399599E-03 -5.0876754E-04 2.4134975E-04 1.1871928E-04 -4.8248336E-05 -1.3610531E-05 6 1.8889201E+05 4.0133234E-03 -1.5300299E-03 7.2757186E-04 3.5700406E-04 -1.4519954E-04 -4.0953760E-05 7 7.3951335E+04 1.1222307E-02 -4.3007168E-03 2.0428631E-03 1.0056879E-03 -4.0870737E-04 -1.1529790E-04 8 3.0220460E+04 2.9297563E-02 -1.1387802E-02 5.4352706E-03 2.6677252E-03 -1.0853663E-03 -3.0612836E-04 9 1.2839746E+04 7.0290665E-02 -2.8009693E-02 1.3389961E-02 6.6072981E-03 -2.6856923E-03 -7.5771685E-04 10 5.6500529E+03 1.4943615E-01 -6.2964386E-02 3.0505131E-02 1.5008876E-02 -6.1129210E-03 -1.7242539E-03 11 2.5665602E+03 2.6146722E-01 -1.2198926E-01 5.9945899E-02 2.9840224E-02 -1.2143153E-02 -3.4271151E-03 12 1.1998849E+03 3.2240115E-01 -1.8093949E-01 9.2839768E-02 4.6106891E-02 -1.8856066E-02 -5.3198688E-03 13 5.7408845E+02 2.1307935E-01 -1.1537031E-01 5.8264203E-02 2.9998511E-02 -1.2172984E-02 -3.4412163E-03 14 2.6652783E+02 4.3386576E-02 2.5323558E-01 -1.8792202E-01 -1.0541851E-01 4.3768732E-02 1.2406597E-02 15 1.3372097E+02 -2.3770471E-03 5.6926066E-01 -5.6638676E-01 -3.2742568E-01 1.3924516E-01 3.9484037E-02 16 6.8527974E+01 1.6329001E-03 3.1272186E-01 -3.0512312E-01 -2.0744120E-01 8.9539576E-02 2.5585871E-02 17 3.3182103E+01 -9.4676952E-04 3.3810697E-02 7.0842226E-01 7.3432251E-01 -3.5209604E-01 -1.0197376E-01 18 1.7320994E+01 4.9073331E-04 -2.0026970E-03 6.3164137E-01 7.8675630E-01 -4.0735972E-01 -1.1880399E-01 19 7.7074188E+00 -2.2167447E-04 6.0282658E-04 7.2601064E-02 -7.5075233E-01 5.5963866E-01 1.7136370E-01 20 3.8027242E+00 1.0306772E-04 -3.7379857E-04 -4.9220300E-03 -7.7701336E-01 7.7371159E-01 2.5753536E-01 21 1.2246978E+00 -3.5484921E-05 1.3545329E-04 1.4537421E-03 -4.9393692E-02 -7.6311683E-01 -3.3887904E-01 22 5.5373359E-01 1.6284212E-05 -6.5823404E-05 -6.6247036E-04 9.0513716E-03 -6.3459752E-01 -4.1082710E-01 23 1.1256640E-01 -4.4003058E-06 2.5746849E-05 1.3729623E-04 -1.8356428E-03 -2.5759587E-02 6.1387920E-01 24 4.2396148E-02 1.9707878E-06 -1.5543123E-05 -4.7429171E-05 7.5096019E-04 4.4896941E-03 5.8804425E-01 2p 3p 4p 5p 6p 1 4.7997166E+06 1.1720373E-06 -5.9641495E-07 2.9006054E-07 -1.0665312E-07 2.5255954E-08 2 7.1488772E+05 1.2996127E-05 -6.6130790E-06 3.2103066E-06 -1.1867324E-06 2.8029639E-07 3 1.4792140E+05 1.0722254E-04 -5.4885424E-05 2.6736238E-05 -9.8251295E-06 2.3276615E-06 4 3.7396036E+04 7.5054091E-04 -3.8448751E-04 1.8693654E-04 -6.9122413E-05 1.6327074E-05 5 1.1100928E+04 4.3684806E-03 -2.2565791E-03 1.1013963E-03 -4.0507776E-04 9.5953153E-05 6 3.7831417E+03 2.0512525E-02 -1.0691118E-02 5.2193838E-03 -1.9311090E-03 4.5623302E-04 7 1.4441627E+03 7.5841530E-02 -4.0643269E-02 2.0010951E-02 -7.3719101E-03 1.7467055E-03 8 6.0191644E+02 2.0868903E-01 -1.1669594E-01 5.7924243E-02 -2.1526776E-02 5.0856249E-03 9 2.6733753E+02 3.7824912E-01 -2.2592198E-01 1.1446157E-01 -4.2286733E-02 1.0039934E-02 10 1.2413740E+02 3.4937107E-01 -1.6675736E-01 7.6389874E-02 -2.8507729E-02 6.6526622E-03 11 5.8367129E+01 1.0541948E-01 2.9363582E-01 -2.2285538E-01 9.1860820E-02 -2.1723139E-02 12 2.8829186E+01 -2.6889574E-04 6.0280081E-01 -4.9220783E-01 1.9654000E-01 -4.7532403E-02 13 1.4188136E+01 -7.8756993E-04 2.4062639E-01 7.1141164E-02 -5.1115130E-02 1.4220168E-02 14 6.8653384E+00 -2.6316326E-03 1.3946293E-02 7.0694338E-01 -4.2927727E-01 1.0455106E-01 15 3.2662322E+00 -1.6340247E-03 2.0708726E-03 3.7896323E-01 -1.5283012E-01 4.0375017E-02 16 1.2513023E+00 -1.6621739E-03 -4.2654041E-04 2.5688265E-02 6.3596265E-01 -2.0616253E-01 17 4.9850131E-01 -1.5324579E-03 2.3210702E-04 -1.8401098E-03 5.2546524E-01 -1.6409542E-01 18 1.1073115E-01 -1.4854576E-03 1.4091003E-05 1.1507872E-04 4.3505298E-02 5.1219437E-01 19 3.5546007E-02 -8.3193436E-04 5.3243185E-05 -2.7208344E-04 -8.0465876E-03 6.2007207E-01 3d 4d 5d 1 3.5742320E+03 9.0942445E-04 -4.5429056E-04 1.1040679E-04 2 9.7523342E+02 9.5899127E-03 -4.8163634E-03 1.1563314E-03 3 3.5742526E+02 5.2920763E-02 -2.6952370E-02 6.5579532E-03 4 1.5051931E+02 1.8146989E-01 -9.4287662E-02 2.2748496E-02 5 6.8457199E+01 3.7404526E-01 -1.9345671E-01 4.7399339E-02 6 3.2460256E+01 4.0666751E-01 -1.6171874E-01 3.5569760E-02 7 1.5432289E+01 1.6545313E-01 2.1639722E-01 -6.4935482E-02 8 7.1962685E+00 1.4145190E-02 5.4812860E-01 -1.6557760E-01 9 3.2085088E+00 1.1757565E-03 3.5727036E-01 -4.1551881E-02 10 1.1736226E+00 -3.1867251E-04 4.7182400E-02 3.3904933E-01 11 4.1792855E-01 5.7392543E-05 -3.2776591E-03 5.4250736E-01 12 1.2831986E-01 -6.5063623E-05 1.1532862E-03 3.5026832E-01 4f 1 2.8232299E+02 3.4727344E-03 2 9.5844068E+01 2.7845062E-02 3 3.9577243E+01 1.0897729E-01 4 1.7778761E+01 2.5710471E-01 5 8.1485999E+00 3.7104555E-01 6 3.6517667E+00 3.5327503E-01 7 1.5372681E+00 2.0671299E-01 8 5.6143065E-01 5.1630497E-02 Foldy-Wouthuysen functions -------------------------- 1s 2s 3s 4s 5s 6s 1 5.8948604E+07 4.0720810E-04 -1.5702320E-04 7.4655012E-05 3.6723003E-05 -1.4929210E-05 -4.2117134E-06 2 1.4407022E+07 9.7107474E-04 -3.7514833E-04 1.7849785E-04 8.7672948E-05 -3.5644539E-05 -1.0054142E-05 3 4.3563174E+06 1.9704800E-03 -7.6230089E-04 3.6251414E-04 1.7846169E-04 -7.2551177E-05 -2.0468960E-05 4 1.4337345E+06 3.7813325E-03 -1.4693524E-03 6.9993216E-04 3.4365614E-04 -1.3973346E-04 -3.9412132E-05 5 5.0654803E+05 7.1305280E-03 -2.7849422E-03 1.3263654E-03 6.5344578E-04 -2.6566497E-04 -7.4957717E-05 6 1.8889201E+05 1.3421086E-02 -5.2945623E-03 2.5297958E-03 1.2422207E-03 -5.0521274E-04 -1.4247795E-04 7 7.3951335E+04 2.5556044E-02 -1.0203959E-02 4.8795410E-03 2.4066453E-03 -9.7840064E-04 -2.7605675E-04 8 3.0220460E+04 4.9386648E-02 -2.0139724E-02 9.6855236E-03 4.7618654E-03 -1.9388814E-03 -5.4690669E-04 9 1.2839746E+04 9.5195590E-02 -4.0021031E-02 1.9305869E-02 9.5472217E-03 -3.8818266E-03 -1.0953072E-03 10 5.6500529E+03 1.7419720E-01 -7.7786495E-02 3.8004372E-02 1.8717377E-02 -7.6256023E-03 -2.1508636E-03 11 2.5665602E+03 2.7569052E-01 -1.3667794E-01 6.7839169E-02 3.3871851E-02 -1.3792278E-02 -3.8928045E-03 12 1.1998849E+03 3.1755603E-01 -1.8977904E-01 9.8242036E-02 4.8853831E-02 -1.9988353E-02 -5.6397564E-03 13 5.7408845E+02 1.9977789E-01 -1.1173517E-01 5.6286528E-02 2.9061044E-02 -1.1790891E-02 -3.3340889E-03 14 2.6652783E+02 3.8506874E-02 2.6282046E-01 -1.9675667E-01 -1.1055852E-01 4.5927933E-02 1.3020003E-02 15 1.3372097E+02 -2.7061913E-03 5.6935257E-01 -5.7246165E-01 -3.3162386E-01 1.4111329E-01 4.0017305E-02 16 6.8527974E+01 1.4620630E-03 3.0901526E-01 -3.0180908E-01 -2.0546495E-01 8.8665611E-02 2.5336177E-02 17 3.3182103E+01 -9.2219657E-04 3.2905949E-02 7.1129911E-01 7.3887069E-01 -3.5442925E-01 -1.0265546E-01 18 1.7320994E+01 4.5246358E-04 -1.9486507E-03 6.2979699E-01 7.8567046E-01 -4.0689091E-01 -1.1866968E-01 19 7.7074188E+00 -2.1135506E-04 5.1424212E-04 7.2404385E-02 -7.5158615E-01 5.6055139E-01 1.7165979E-01 20 3.8027242E+00 9.2763254E-05 -3.1600345E-04 -5.0430841E-03 -7.7661902E-01 7.7360174E-01 2.5750672E-01 21 1.2246978E+00 -3.2449629E-05 9.2186570E-05 1.5298398E-03 -4.9292674E-02 -7.6327318E-01 -3.3896945E-01 22 5.5373359E-01 1.4281868E-05 -3.7655721E-05 -7.1426920E-04 9.0257254E-03 -6.3450856E-01 -4.1080423E-01 23 1.1256640E-01 -3.8131911E-06 1.0183772E-05 1.6289685E-04 -1.8274813E-03 -2.5766785E-02 6.1388306E-01 24 4.2396148E-02 1.5389411E-06 -4.4751410E-06 -6.5871152E-05 7.4495146E-04 4.4979422E-03 5.8804316E-01 2p 3p 4p 5p 6p 1 4.7997166E+06 5.3110607E-05 -2.6759980E-05 1.3008870E-05 -4.7803895E-06 1.1324359E-06 2 7.1488772E+05 1.9401476E-04 -9.7907878E-05 4.7401073E-05 -1.7518306E-05 4.1359272E-06 3 1.4792140E+05 6.5988833E-04 -3.3522360E-04 1.6328528E-04 -5.9987468E-05 1.4215774E-05 4 3.7396036E+04 2.2232707E-03 -1.1355450E-03 5.5138816E-04 -2.0387730E-04 4.8142603E-05 5 1.1100928E+04 7.7815023E-03 -4.0197139E-03 1.9635023E-03 -7.2210308E-04 1.7108605E-04 6 3.7831417E+03 2.7257840E-02 -1.4255778E-02 6.9640448E-03 -2.5773763E-03 6.0885831E-04 7 1.4441627E+03 8.6828894E-02 -4.6753125E-02 2.3048500E-02 -8.4922404E-03 2.0123182E-03 8 6.0191644E+02 2.2185217E-01 -1.2468992E-01 6.1962235E-02 -2.3034224E-02 5.4417303E-03 9 2.6733753E+02 3.8750351E-01 -2.3242686E-01 1.1788122E-01 -4.3556746E-02 1.0342029E-02 10 1.2413740E+02 3.5204886E-01 -1.6748017E-01 7.6508228E-02 -2.8545949E-02 6.6596113E-03 11 5.8367129E+01 1.0735224E-01 2.9612764E-01 -2.2517771E-01 9.2850610E-02 -2.1958347E-02 12 2.8829186E+01 2.1407742E-03 6.0282799E-01 -4.9302122E-01 1.9689123E-01 -4.7620003E-02 13 1.4188136E+01 1.5817995E-03 2.3982958E-01 7.2375526E-02 -5.1713057E-02 1.4369398E-02 14 6.8653384E+00 -8.7846959E-04 1.3820537E-02 7.0739404E-01 -4.2965555E-01 1.0464518E-01 15 3.2662322E+00 3.2068255E-04 1.9744943E-03 3.7910402E-01 -1.5281019E-01 4.0368558E-02 16 1.2513023E+00 -1.1759005E-04 -4.8757586E-04 2.5914750E-02 6.3598310E-01 -2.0618274E-01 17 4.9850131E-01 4.4128081E-05 1.6451526E-04 -1.5842349E-03 5.2539427E-01 -1.6407820E-01 18 1.1073115E-01 -1.1397262E-05 -4.7401352E-05 3.5421184E-04 4.3462595E-02 5.1221340E-01 19 3.5546007E-02 4.3343586E-06 1.8008777E-05 -1.3654905E-04 -8.0712482E-03 6.2007956E-01 3d 4d 5d 1 3.5742320E+03 1.3007252E-03 -6.4954820E-04 1.5779623E-04 2 9.7523342E+02 1.0883596E-02 -5.4707858E-03 1.3137508E-03 3 3.5742526E+02 5.5830187E-02 -2.8460183E-02 6.9255225E-03 4 1.5051931E+02 1.8562057E-01 -9.6527606E-02 2.3292278E-02 5 6.8457199E+01 3.7745921E-01 -1.9531925E-01 4.7859693E-02 6 3.2460256E+01 4.0783085E-01 -1.6201730E-01 3.5615996E-02 7 1.5432289E+01 1.6570352E-01 2.1713621E-01 -6.5158699E-02 8 7.1962685E+00 1.4423270E-02 5.4848731E-01 -1.6570775E-01 9 3.2085088E+00 1.3738777E-03 3.5731130E-01 -4.1522471E-02 10 1.1736226E+00 -2.0151150E-04 4.7222114E-02 3.3910778E-01 11 4.1792855E-01 1.0515116E-04 -3.2520660E-03 5.4252589E-01 12 1.2831986E-01 -3.3976780E-05 1.1683836E-03 3.5027473E-01 4f 1 2.8232299E+02 3.6718335E-03 2 9.5844068E+01 2.8379392E-02 3 3.9577243E+01 1.0982606E-01 4 1.7778761E+01 2.5789241E-01 5 8.1485999E+00 3.7149675E-01 6 3.6517667E+00 3.5343816E-01 7 1.5372681E+00 2.0675744E-01 8 5.6143065E-01 5.1641838E-02 ** Re 187 ** Large component functions ------------------------- 1s 2s 3s 4s 5s 6s 1 5.8855953E+07 1.6195220E-04 -6.1753441E-05 2.9368470E-05 1.4478095E-05 -5.9684930E-06 -1.7015109E-06 2 1.4470694E+07 4.1736327E-04 -1.5975285E-04 7.6038146E-05 3.7478346E-05 -1.5452276E-05 -4.4050689E-06 3 4.4041973E+06 9.4187118E-04 -3.6214675E-04 1.7243946E-04 8.5049816E-05 -3.5062076E-05 -9.9958154E-06 4 1.4577820E+06 2.0054975E-03 -7.7693149E-04 3.7055689E-04 1.8269103E-04 -7.5335782E-05 -2.1476400E-05 5 5.1754114E+05 4.2443132E-03 -1.6593846E-03 7.9207284E-04 3.9101399E-04 -1.6120694E-04 -4.5960385E-05 6 1.9372396E+05 8.9764695E-03 -3.5551175E-03 1.7019583E-03 8.3947624E-04 -3.4627884E-04 -9.8715500E-05 7 7.6066653E+04 1.9098149E-02 -7.6762118E-03 3.6788547E-03 1.8189093E-03 -7.4996306E-04 -2.1383256E-04 8 3.1153152E+04 4.0476617E-02 -1.6624296E-02 8.0088004E-03 3.9531775E-03 -1.6315186E-03 -4.6510298E-04 9 1.3257141E+04 8.3572866E-02 -3.5374524E-02 1.7089046E-02 8.4738520E-03 -3.4946462E-03 -9.9655054E-04 10 5.8401844E+03 1.6029974E-01 -7.1848211E-02 3.5162874E-02 1.7398723E-02 -7.1892421E-03 -2.0495257E-03 11 2.6548440E+03 2.6251851E-01 -1.3000542E-01 6.4502665E-02 3.2264360E-02 -1.3319511E-02 -3.7997617E-03 12 1.2416852E+03 3.1152259E-01 -1.8410255E-01 9.5161138E-02 4.7490315E-02 -1.9704740E-02 -5.6181146E-03 13 5.9426550E+02 2.0252506E-01 -1.1171179E-01 5.5912037E-02 2.8825813E-02 -1.1841831E-02 -3.3854077E-03 14 2.7638482E+02 4.1345665E-02 2.5610460E-01 -1.9291771E-01 -1.0881617E-01 4.5842270E-02 1.3141508E-02 15 1.3872571E+02 -2.1473813E-03 5.6536526E-01 -5.6767791E-01 -3.3005741E-01 1.4251635E-01 4.0843220E-02 16 7.1144414E+01 1.5169540E-03 3.1182914E-01 -3.0571274E-01 -2.0798300E-01 9.0952274E-02 2.6303498E-02 17 3.4488105E+01 -8.8216194E-04 3.3915020E-02 7.0583491E-01 7.3642534E-01 -3.5867843E-01 -1.0516634E-01 18 1.8020594E+01 4.5650165E-04 -1.8858404E-03 6.3299867E-01 7.9234470E-01 -4.1753121E-01 -1.2319084E-01 19 8.0425051E+00 -2.0739204E-04 5.1835284E-04 7.4088228E-02 -7.4522554E-01 5.6777867E-01 1.7625662E-01 20 3.9899702E+00 9.7095005E-05 -3.1653856E-04 -5.2206718E-03 -7.8342306E-01 7.9580161E-01 2.6960254E-01 21 1.3070749E+00 -3.3091053E-05 9.8393404E-05 1.5641712E-03 -5.0715197E-02 -7.7549169E-01 -3.5628148E-01 22 5.9274191E-01 1.4752214E-05 -3.8755779E-05 -7.2391715E-04 9.0017873E-03 -6.3587031E-01 -4.0612511E-01 23 1.2219365E-01 -3.6899194E-06 1.0105586E-05 1.6391126E-04 -1.7942257E-03 -2.5949729E-02 6.1015363E-01 24 4.5275958E-02 1.4986830E-06 -4.1920883E-06 -6.4989998E-05 7.1741123E-04 4.3128218E-03 5.9363777E-01 2p 3p 4p 5p 6p 1 5.2075705E+06 5.3908336E-05 -2.7414117E-05 1.3370290E-05 -5.0193076E-06 1.1824347E-06 2 7.8026719E+05 1.8524009E-04 -9.4284244E-05 4.5984222E-05 -1.7271253E-05 4.0678007E-06 3 1.6169448E+05 5.8808416E-04 -3.0025473E-04 1.4660914E-04 -5.5018648E-05 1.2965100E-05 4 4.0821139E+04 1.9229155E-03 -9.8637825E-04 4.8174982E-04 -1.8117014E-04 4.2652353E-05 5 1.2070043E+04 6.8005515E-03 -3.5240417E-03 1.7274394E-03 -6.4804167E-04 1.5280708E-04 6 4.0917336E+03 2.4483132E-02 -1.2840498E-02 6.3010324E-03 -2.3745075E-03 5.5881403E-04 7 1.5539167E+03 8.0129630E-02 -4.3193794E-02 2.1378676E-02 -8.0289296E-03 1.8944787E-03 8 6.4486190E+02 2.1046050E-01 -1.1825335E-01 5.8965948E-02 -2.2326239E-02 5.2531590E-03 9 2.8542387E+02 3.7950161E-01 -2.2727809E-01 1.1569895E-01 -4.3573140E-02 1.0303370E-02 10 1.3219925E+02 3.5986836E-01 -1.7805507E-01 8.2973956E-02 -3.1552376E-02 7.3410642E-03 11 6.2106432E+01 1.1668690E-01 2.7256203E-01 -2.0931534E-01 8.8160511E-02 -2.0761450E-02 12 3.0661775E+01 2.9395461E-03 6.0485334E-01 -4.9765770E-01 2.0308852E-01 -4.8957864E-02 13 1.5145455E+01 1.7878060E-03 2.5637637E-01 3.9994405E-02 -3.7447798E-02 1.0957760E-02 14 7.3104193E+00 -9.8750469E-04 1.7032711E-02 7.0582150E-01 -4.3825422E-01 1.0658830E-01 15 3.4855280E+00 3.7301438E-04 1.7602564E-03 3.9685956E-01 -1.7177936E-01 4.5114712E-02 16 1.3404867E+00 -1.3694693E-04 -4.2386707E-04 2.8190804E-02 6.4378717E-01 -2.1068264E-01 17 5.3558900E-01 5.1510591E-05 1.3615458E-04 -1.7648344E-03 5.2573803E-01 -1.5849029E-01 18 1.1851393E-01 -1.3052784E-05 -4.0404028E-05 3.9694968E-04 4.2440879E-02 5.0966726E-01 19 3.7367081E-02 4.9046465E-06 1.5126414E-05 -1.5000149E-04 -7.8160137E-03 6.2353140E-01 3d 4d 5d 1 3.7564113E+03 1.2003894E-03 -6.0434063E-04 1.5565110E-04 2 1.0219834E+03 1.0349392E-02 -5.2431155E-03 1.3369787E-03 3 3.7396930E+02 5.3978993E-02 -2.7718569E-02 7.1594229E-03 4 1.5736795E+02 1.8173434E-01 -9.5222621E-02 2.4394304E-02 5 7.1575006E+01 3.7388274E-01 -1.9501087E-01 5.0730642E-02 6 3.3960782E+01 4.0906639E-01 -1.6549779E-01 3.8694173E-02 7 1.6177684E+01 1.6933385E-01 2.1178330E-01 -6.8115800E-02 8 7.5654356E+00 1.5307352E-02 5.4833835E-01 -1.7707706E-01 9 3.3979838E+00 1.3699035E-03 3.5952922E-01 -4.4851928E-02 10 1.2649090E+00 -2.1164590E-04 4.7998415E-02 3.5488313E-01 11 4.5975074E-01 1.0603047E-04 -3.1113024E-03 5.4209493E-01 12 1.4403768E-01 -3.5773920E-05 1.1812821E-03 3.2916352E-01 4f 1 3.0594019E+02 3.3495415E-03 2 1.0388323E+02 2.6483687E-02 3 4.3037783E+01 1.0457842E-01 4 1.9409545E+01 2.5142038E-01 5 8.9613755E+00 3.7019209E-01 6 4.0600364E+00 3.5713524E-01 7 1.7364771E+00 2.0772330E-01 8 6.4713929E-01 5.0591919E-02 Pseudo-large component functions -------------------------------- 1s 2s 3s 4s 5s 6s 1 5.8855953E+07 4.3804664E-06 -1.6656235E-06 7.9148134E-07 3.9036097E-07 -1.6089233E-07 -4.5869490E-08 2 1.4470694E+07 3.1150098E-05 -1.1852208E-05 5.6378268E-06 2.7767805E-06 -1.1449782E-06 -3.2638909E-07 3 4.4041973E+06 1.2181292E-04 -4.6349480E-05 2.2024157E-05 1.0864847E-05 -4.4778428E-06 -1.2766301E-06 4 1.4577820E+06 4.2948575E-04 -1.6367208E-04 7.7891915E-05 3.8353958E-05 -1.5816645E-05 -4.5086047E-06 5 5.1754114E+05 1.3633838E-03 -5.2003143E-04 2.4715563E-04 1.2197614E-04 -5.0267632E-05 -1.4331696E-05 6 1.9372396E+05 4.0595531E-03 -1.5546936E-03 7.4067550E-04 3.6465229E-04 -1.5040085E-04 -4.2871465E-05 7 7.6066653E+04 1.1293752E-02 -4.3479146E-03 2.0691762E-03 1.0219966E-03 -4.2116050E-04 -1.2008194E-04 8 3.1153152E+04 2.9360701E-02 -1.1462983E-02 5.4813237E-03 2.6993865E-03 -1.1137458E-03 -3.1746656E-04 9 1.3257141E+04 7.0199975E-02 -2.8091956E-02 1.3454410E-02 6.6608939E-03 -2.7454194E-03 -7.8286843E-04 10 5.8401844E+03 1.4888135E-01 -6.2948084E-02 3.0551466E-02 1.5082499E-02 -6.2297882E-03 -1.7758329E-03 11 2.6548440E+03 2.6023713E-01 -1.2165703E-01 5.9881651E-02 2.9904475E-02 -1.2339454E-02 -3.5200167E-03 12 1.2416852E+03 3.2138860E-01 -1.8004323E-01 9.2484238E-02 4.6083654E-02 -1.9115131E-02 -5.4496693E-03 13 5.9426550E+02 2.1362318E-01 -1.1464207E-01 5.7798600E-02 2.9823063E-02 -1.2261778E-02 -3.5054376E-03 14 2.7638482E+02 4.4112529E-02 2.5147833E-01 -1.8725753E-01 -1.0543257E-01 4.4388792E-02 1.2724503E-02 15 1.3872571E+02 -2.3216872E-03 5.6775382E-01 -5.6502045E-01 -3.2795081E-01 1.4155375E-01 4.0564619E-02 16 7.1144414E+01 1.6354869E-03 3.1449687E-01 -3.0782318E-01 -2.0951704E-01 9.1652209E-02 2.6506375E-02 17 3.4488105E+01 -9.5163856E-04 3.4481527E-02 7.0484489E-01 7.3388319E-01 -3.5728158E-01 -1.0475186E-01 18 1.8020594E+01 4.9624948E-04 -2.0657089E-03 6.3467650E-01 7.9326692E-01 -4.1797812E-01 -1.2332035E-01 19 8.0425051E+00 -2.2692021E-04 6.3540406E-04 7.4077835E-02 -7.4503454E-01 5.6729561E-01 1.7608813E-01 20 3.9899702E+00 1.0673610E-04 -3.9107956E-04 -5.1124433E-03 -7.8376898E-01 7.9589236E-01 2.6963000E-01 21 1.3070749E+00 -3.7019379E-05 1.4233766E-04 1.4952066E-03 -5.0770409E-02 -7.7543503E-01 -3.5622849E-01 22 5.9274191E-01 1.6846633E-05 -6.8244296E-05 -6.7638620E-04 9.0253324E-03 -6.3594563E-01 -4.0614416E-01 23 1.2219365E-01 -4.4997754E-06 2.6050040E-05 1.3743893E-04 -1.8051533E-03 -2.5938221E-02 6.1015576E-01 24 4.5275958E-02 1.9879842E-06 -1.5458468E-05 -4.6083092E-05 7.2481078E-04 4.3038961E-03 5.9363762E-01 2p 3p 4p 5p 6p 1 5.2075705E+06 1.1222734E-06 -5.7249725E-07 2.7967865E-07 -1.0478641E-07 2.4712843E-08 2 7.8026719E+05 1.2282655E-05 -6.2668402E-06 3.0545369E-06 -1.1504083E-06 2.7058520E-07 3 1.6169448E+05 1.0019668E-04 -5.1415688E-05 2.5160982E-05 -9.4216489E-06 2.2230520E-06 4 4.0821139E+04 6.9749505E-04 -3.5829121E-04 1.7490622E-04 -6.5894260E-05 1.5499547E-05 5 1.2070043E+04 4.0683779E-03 -2.1066317E-03 1.0328886E-03 -3.8708404E-04 9.1320122E-05 6 4.0917336E+03 1.9245120E-02 -1.0052994E-02 4.9273941E-03 -1.8574365E-03 4.3700137E-04 7 1.5539167E+03 7.1938283E-02 -3.8594757E-02 1.9083903E-02 -7.1636608E-03 1.6904951E-03 8 6.4486190E+02 2.0103728E-01 -1.1244784E-01 5.6010507E-02 -2.1205553E-02 4.9889894E-03 9 2.8542387E+02 3.7295631E-01 -2.2269751E-01 1.1330724E-01 -4.2664462E-02 1.0088808E-02 10 1.3219925E+02 3.5732808E-01 -1.7724659E-01 8.2780748E-02 -3.1495343E-02 7.3284536E-03 11 6.2106432E+01 1.1420094E-01 2.7148223E-01 -2.0794912E-01 8.7554748E-02 -2.0616693E-02 12 3.0661775E+01 3.5724181E-04 6.0531784E-01 -4.9734855E-01 2.0293223E-01 -4.8919239E-02 13 1.5145455E+01 -6.6783048E-04 2.5698231E-01 3.9200027E-02 -3.7029801E-02 1.0854471E-02 14 7.3104193E+00 -2.8213881E-03 1.7135988E-02 7.0553508E-01 -4.3799742E-01 1.0652313E-01 15 3.4855280E+00 -1.6446062E-03 1.8488430E-03 3.9667822E-01 -1.7175258E-01 4.5111495E-02 16 1.3404867E+00 -1.7367563E-03 -3.6050264E-04 2.7940904E-02 6.4381123E-01 -2.1067690E-01 17 5.3558900E-01 -1.5886355E-03 2.0435313E-04 -2.0331629E-03 5.2580934E-01 -1.5850734E-01 18 1.1851393E-01 -1.5557888E-03 2.2419166E-05 1.4516274E-04 4.2484155E-02 5.0965049E-01 19 3.7367081E-02 -8.6940974E-04 5.1199642E-05 -2.9265729E-04 -7.7901274E-03 6.2352332E-01 3d 4d 5d 1 3.7564113E+03 8.8014605E-04 -4.4290752E-04 1.1426519E-04 2 1.0219834E+03 9.3304521E-03 -4.7223147E-03 1.2033901E-03 3 3.7396930E+02 5.1787979E-02 -2.6568254E-02 6.8625260E-03 4 1.5736795E+02 1.7876338E-01 -9.3597746E-02 2.3973554E-02 5 7.1575006E+01 3.7150607E-01 -1.9370722E-01 5.0391316E-02 6 3.3960782E+01 4.0819742E-01 -1.6528837E-01 3.8660272E-02 7 1.6177684E+01 1.6898701E-01 2.1134693E-01 -6.7963722E-02 8 7.5654356E+00 1.4998281E-02 5.4812527E-01 -1.7699092E-01 9 3.3979838E+00 1.1621284E-03 3.5948437E-01 -4.4870452E-02 10 1.2649090E+00 -3.3385701E-04 4.7948883E-02 3.5484205E-01 11 4.5975074E-01 5.5148982E-05 -3.1387020E-03 5.4208184E-01 12 1.4403768E-01 -6.9510792E-05 1.1647969E-03 3.2915647E-01 4f 1 3.0594019E+02 3.1968587E-03 2 1.0388323E+02 2.6090340E-02 3 4.3037783E+01 1.0395792E-01 4 1.9409545E+01 2.5084821E-01 5 8.9613755E+00 3.6984683E-01 6 4.0600364E+00 3.5700207E-01 7 1.7364771E+00 2.0767958E-01 8 6.4713929E-01 5.0577843E-02 Foldy-Wouthuysen functions -------------------------- 1s 2s 3s 4s 5s 6s 1 5.8855953E+07 4.3192514E-04 -1.6731850E-04 7.9700204E-05 3.9333529E-05 -1.6215272E-05 -4.6234451E-06 2 1.4470694E+07 1.0238023E-03 -3.9733524E-04 1.8940444E-04 9.3343396E-05 -3.8484196E-05 -1.0970137E-05 3 4.4041973E+06 2.0640528E-03 -8.0220098E-04 3.8221801E-04 1.8877648E-04 -7.7822643E-05 -2.2191981E-05 4 1.4577820E+06 3.9358401E-03 -1.5365252E-03 7.3328349E-04 3.6125121E-04 -1.4895705E-04 -4.2457326E-05 5 5.1754114E+05 7.3769332E-03 -2.8949334E-03 1.3814076E-03 6.8278846E-04 -2.8149206E-04 -8.0278594E-05 6 1.9372396E+05 1.3795507E-02 -5.4689505E-03 2.6179993E-03 1.2899112E-03 -5.3200730E-04 -1.5161717E-04 7 7.6066653E+04 2.6086749E-02 -1.0469639E-02 5.0164961E-03 2.4823368E-03 -1.0233322E-03 -2.9184294E-04 8 3.1153152E+04 5.0041095E-02 -2.0515576E-02 9.8856416E-03 4.8768796E-03 -2.0137542E-03 -5.7402761E-04 9 1.3257141E+04 9.5780337E-02 -4.0485595E-02 1.9570471E-02 9.7101994E-03 -4.0034740E-03 -1.1417882E-03 10 5.8401844E+03 1.7427178E-01 -7.8201165E-02 3.8283754E-02 1.8920243E-02 -7.8174573E-03 -2.2282858E-03 11 2.6548440E+03 2.7484894E-01 -1.3674472E-01 6.8002141E-02 3.4064609E-02 -1.4064918E-02 -4.0126036E-03 12 1.2416852E+03 3.1650872E-01 -1.8910352E-01 9.8024601E-02 4.8911303E-02 -2.0297476E-02 -5.7870749E-03 13 5.9426550E+02 1.9998030E-01 -1.1092476E-01 5.5761811E-02 2.8850864E-02 -1.1859427E-02 -3.3916916E-03 14 2.7638482E+02 3.9032101E-02 2.6133888E-01 -1.9636439E-01 -1.1074993E-01 4.6654362E-02 1.3375378E-02 15 1.3872571E+02 -2.6676683E-03 5.6790638E-01 -5.7132981E-01 -3.3232734E-01 1.4353126E-01 4.1135314E-02 16 7.1144414E+01 1.4558375E-03 3.1065748E-01 -3.0441592E-01 -2.0747639E-01 9.0734755E-02 2.6241390E-02 17 3.4488105E+01 -9.2490823E-04 3.3536865E-02 7.0784999E-01 7.3862774E-01 -3.5975289E-01 -1.0548262E-01 18 1.8020594E+01 4.5550493E-04 -2.0130727E-03 6.3276704E-01 7.9215090E-01 -4.1749421E-01 -1.2318065E-01 19 8.0425051E+00 -2.1550188E-04 5.4503746E-04 7.3868090E-02 -7.4591994E-01 5.6827975E-01 1.7641277E-01 20 3.9899702E+00 9.5580481E-05 -3.3177759E-04 -5.2397128E-03 -7.8335536E-01 7.9577402E-01 2.6959856E-01 21 1.3070749E+00 -3.3670952E-05 9.7829728E-05 1.5751574E-03 -5.0661210E-02 -7.7560519E-01 -3.5632950E-01 22 5.9274191E-01 1.4671631E-05 -3.9624359E-05 -7.3026050E-04 8.9979408E-03 -6.3584879E-01 -4.0611776E-01 23 1.2219365E-01 -3.8653541E-06 1.0542895E-05 1.6347871E-04 -1.7966398E-03 -2.5945821E-02 6.1015958E-01 24 4.5275958E-02 1.5274676E-06 -4.5554774E-06 -6.4632744E-05 7.1865889E-04 4.3125581E-03 5.9363670E-01 2p 3p 4p 5p 6p 1 5.2075705E+06 5.2543652E-05 -2.6539606E-05 1.2959323E-05 -4.8525502E-06 1.1449060E-06 2 7.8026719E+05 1.9124757E-04 -9.6762746E-05 4.7038183E-05 -1.7710981E-05 4.1637652E-06 3 1.6169448E+05 6.4619381E-04 -3.2903777E-04 1.6099548E-04 -6.0269749E-05 1.4225492E-05 4 4.0821139E+04 2.1561610E-03 -1.1040282E-03 5.3825169E-04 -2.0276557E-04 4.7678509E-05 5 1.2070043E+04 7.4675420E-03 -3.8662481E-03 1.8970726E-03 -7.1091272E-04 1.6775731E-04 6 4.0917336E+03 2.6011268E-02 -1.3633650E-02 6.6866551E-03 -2.5213417E-03 5.9313554E-04 7 1.5539167E+03 8.3072840E-02 -4.4784794E-02 2.2173552E-02 -8.3248324E-03 1.9646860E-03 8 6.4486190E+02 2.1461561E-01 -1.2067310E-01 6.0178010E-02 -2.2790328E-02 5.3618072E-03 9 2.8542387E+02 3.8280602E-01 -2.2959170E-01 1.1694496E-01 -4.4041637E-02 1.0415079E-02 10 1.3219925E+02 3.6028107E-01 -1.7824950E-01 8.3057346E-02 -3.1595659E-02 7.3498783E-03 11 6.2106432E+01 1.1613251E-01 2.7407482E-01 -2.1034094E-01 8.8592584E-02 -2.0862378E-02 12 3.0661775E+01 2.8396443E-03 6.0546416E-01 -4.9832090E-01 2.0336228E-01 -4.9025781E-02 13 1.5145455E+01 1.7792839E-03 2.5612979E-01 4.0475704E-02 -3.7656958E-02 1.1010622E-02 14 7.3104193E+00 -9.8769609E-04 1.6997356E-02 7.0604313E-01 -4.3842503E-01 1.0662960E-01 15 3.4855280E+00 3.7163970E-04 1.7495842E-03 3.9681711E-01 -1.7172970E-01 4.5103965E-02 16 1.3404867E+00 -1.3665789E-04 -4.2137636E-04 2.8174920E-02 6.4383612E-01 -2.1069993E-01 17 5.3558900E-01 5.1333749E-05 1.3518739E-04 -1.7651985E-03 5.2573357E-01 -1.5848846E-01 18 1.1851393E-01 -1.2997079E-05 -4.0301666E-05 3.9721818E-04 4.2439366E-02 5.0967048E-01 19 3.7367081E-02 4.8817596E-06 1.5082152E-05 -1.5007473E-04 -7.8160165E-03 6.2353134E-01 3d 4d 5d 1 3.7564113E+03 1.2756535E-03 -6.4172970E-04 1.6548632E-04 2 1.0219834E+03 1.0645545E-02 -5.3926218E-03 1.3745440E-03 3 3.7396930E+02 5.4762162E-02 -2.8120763E-02 7.2643089E-03 4 1.5736795E+02 1.8304302E-01 -9.5924700E-02 2.4573371E-02 5 7.1575006E+01 3.7506293E-01 -1.9566386E-01 5.0904899E-02 6 3.3960782E+01 4.0942874E-01 -1.6562155E-01 3.8716829E-02 7 1.6177684E+01 1.6924539E-01 2.1211841E-01 -6.8212739E-02 8 7.5654356E+00 1.5286545E-02 5.4850705E-01 -1.7713924E-01 9 3.3979838E+00 1.3673644E-03 3.5952594E-01 -4.4836147E-02 10 1.2649090E+00 -2.1109277E-04 4.7989817E-02 3.5490833E-01 11 4.5975074E-01 1.0581045E-04 -3.1112581E-03 5.4210150E-01 12 1.4403768E-01 -3.5724734E-05 1.1812765E-03 3.2916357E-01 4f 1 3.0594019E+02 3.3944520E-03 2 1.0388323E+02 2.6633586E-02 3 4.3037783E+01 1.0484204E-01 4 1.9409545E+01 2.5169579E-01 5 8.9613755E+00 3.7034512E-01 6 4.0600364E+00 3.5718507E-01 7 1.7364771E+00 2.0772818E-01 8 6.4713929E-01 5.0591134E-02 ** Os 192 ** Large component functions ------------------------- 1s 2s 3s 4s 5s 6s 1 5.8412526E+07 1.7276948E-04 -6.6180626E-05 3.1531140E-05 1.5596124E-05 -6.5135037E-06 -1.8699139E-06 2 1.4450381E+07 4.4221133E-04 -1.7005054E-04 8.1087208E-05 4.0100843E-05 -1.6749980E-05 -4.8085082E-06 3 4.4283945E+06 9.9030574E-04 -3.8256134E-04 1.8249557E-04 9.0310388E-05 -3.7717744E-05 -1.0828395E-05 4 1.4748376E+06 2.0921249E-03 -8.1436594E-04 3.8912998E-04 1.9249285E-04 -8.0417607E-05 -2.3085908E-05 5 5.2637938E+05 4.3940632E-03 -1.7263549E-03 8.2559361E-04 4.0892585E-04 -1.7079625E-04 -4.9036266E-05 6 1.9786382E+05 9.2207307E-03 -3.6703269E-03 1.7604545E-03 8.7127036E-04 -3.6410778E-04 -1.0452610E-04 7 7.7951635E+04 1.9466634E-02 -7.8658165E-03 3.7771433E-03 1.8737753E-03 -7.8268269E-04 -2.2473007E-04 8 3.2006794E+04 4.0955383E-02 -1.6913025E-02 8.1640354E-03 4.0436073E-03 -1.6907778E-03 -4.8537611E-04 9 1.3646723E+04 8.4009944E-02 -3.5757576E-02 1.7309430E-02 8.6120390E-03 -3.5979988E-03 -1.0332439E-03 10 6.0203176E+03 1.6029012E-01 -7.2211530E-02 3.5410660E-02 1.7581900E-02 -7.3607932E-03 -2.1131409E-03 11 2.7394674E+03 2.6157935E-01 -1.3004039E-01 6.4641932E-02 3.2441789E-02 -1.3566951E-02 -3.8976799E-03 12 1.2821313E+03 3.1013590E-01 -1.8329808E-01 9.4869474E-02 4.7504730E-02 -1.9973547E-02 -5.7345763E-03 13 6.1396017E+02 2.0223748E-01 -1.1036585E-01 5.5071328E-02 2.8452983E-02 -1.1827180E-02 -3.4056534E-03 14 2.8609314E+02 4.1732557E-02 2.5552407E-01 -1.9325788E-01 -1.0942627E-01 4.6699271E-02 1.3485335E-02 15 1.4366391E+02 -2.0794367E-03 5.6383288E-01 -5.6676856E-01 -3.3091846E-01 1.4490690E-01 4.1827934E-02 16 7.3735728E+01 1.5058705E-03 3.1256401E-01 -3.0676985E-01 -2.0904791E-01 9.2526690E-02 2.6964326E-02 17 3.5802096E+01 -8.7885455E-04 3.4352115E-02 7.0323060E-01 7.3738364E-01 -3.6428733E-01 -1.0769111E-01 18 1.8726246E+01 4.5684695E-04 -1.9156397E-03 6.3497486E-01 7.9746334E-01 -4.2736212E-01 -1.2717150E-01 19 8.3827410E+00 -2.0983600E-04 5.3766618E-04 7.5331605E-02 -7.4084548E-01 5.7642071E-01 1.8087821E-01 20 4.1820580E+00 9.9283137E-05 -3.2725514E-04 -5.3995000E-03 -7.8905675E-01 8.1612677E-01 2.8000693E-01 21 1.3926681E+00 -3.3954184E-05 1.0247836E-04 1.5991521E-03 -5.1916312E-02 -7.8770671E-01 -3.7156455E-01 22 6.3246082E-01 1.4949901E-05 -3.9820677E-05 -7.3331659E-04 8.8988315E-03 -6.3714959E-01 -4.0067318E-01 23 1.3153130E-01 -3.6838313E-06 1.0228740E-05 1.6301321E-04 -1.7524578E-03 -2.5955920E-02 6.0694382E-01 24 4.8024600E-02 1.4720209E-06 -4.1833759E-06 -6.3443873E-05 6.9013825E-04 4.1582078E-03 5.9772376E-01 2p 3p 4p 5p 6p 1 5.6309740E+06 5.3554789E-05 -2.7303227E-05 1.3373985E-05 -5.1074618E-06 1.1935409E-06 2 8.4956432E+05 1.8339733E-04 -9.3582748E-05 4.5838441E-05 -1.7513727E-05 4.0917930E-06 3 1.7643582E+05 5.7762531E-04 -2.9562193E-04 1.4497566E-04 -5.5347502E-05 1.2937801E-05 4 4.4505373E+04 1.8652596E-03 -9.5912196E-04 4.7041083E-04 -1.7995239E-04 4.2025843E-05 5 1.3113904E+04 6.5142339E-03 -3.3829999E-03 1.6656275E-03 -6.3569265E-04 1.4869203E-04 6 4.4234777E+03 2.3316486E-02 -1.2255382E-02 6.0384226E-03 -2.3147180E-03 5.4036998E-04 7 1.6714751E+03 7.6528018E-02 -4.1301220E-02 2.0530124E-02 -7.8439753E-03 1.8360171E-03 8 6.9068510E+02 2.0324452E-01 -1.1425314E-01 5.7176534E-02 -2.2019575E-02 5.1394853E-03 9 3.0466843E+02 3.7416568E-01 -2.2400512E-01 1.1451500E-01 -4.3884320E-02 1.0293758E-02 10 1.4076904E+02 3.6738694E-01 -1.8801527E-01 8.9116478E-02 -3.4494525E-02 7.9712855E-03 11 6.6110448E+01 1.2591023E-01 2.4977834E-01 -1.9396831E-01 8.3356956E-02 -1.9472943E-02 12 3.2617694E+01 3.9105376E-03 6.0608900E-01 -5.0155893E-01 2.0876744E-01 -4.9950572E-02 13 1.6164003E+01 1.9477358E-03 2.7354582E-01 7.7774922E-03 -2.2649833E-02 7.3722364E-03 14 7.7760646E+00 -1.0768005E-03 2.0624176E-02 7.0341690E-01 -4.4592145E-01 1.0791322E-01 15 3.7142065E+00 4.1627285E-04 1.4848090E-03 4.1449143E-01 -1.9058464E-01 4.9490623E-02 16 1.4327260E+00 -1.5320990E-04 -3.4221358E-04 3.0499354E-02 6.5094827E-01 -2.1357533E-01 17 5.7351019E-01 5.7670689E-05 1.0131159E-04 -1.9397388E-03 5.2649115E-01 -1.5325783E-01 18 1.2613181E-01 -1.4331333E-05 -3.2194726E-05 4.3872950E-04 4.1445037E-02 5.0593680E-01 19 3.9102623E-02 5.3288727E-06 1.1885809E-05 -1.6302707E-04 -7.6076956E-03 6.2789542E-01 3d 4d 5d 1 3.9420044E+03 1.1775653E-03 -5.9723592E-04 1.6158306E-04 2 1.0694209E+03 1.0133471E-02 -5.1731862E-03 1.3858947E-03 3 3.9070489E+02 5.3008285E-02 -2.7419928E-02 7.4404288E-03 4 1.6428067E+02 1.7938628E-01 -9.4713481E-02 2.5495764E-02 5 7.4716419E+01 3.7167984E-01 -1.9542511E-01 5.3415292E-02 6 3.5471428E+01 4.1044150E-01 -1.6879213E-01 4.1533844E-02 7 1.6926909E+01 1.7251732E-01 2.0753814E-01 -7.0812036E-02 8 7.9370940E+00 1.6092598E-02 5.4854719E-01 -1.8728538E-01 9 3.5902832E+00 1.3634857E-03 3.6097140E-01 -4.7650673E-02 10 1.3590704E+00 -2.2127123E-04 4.8580658E-02 3.6812867E-01 11 5.0188370E-01 1.0614772E-04 -2.9059374E-03 5.4100528E-01 12 1.5969932E-01 -3.7358350E-05 1.1766179E-03 3.1269716E-01 4f 1 3.2939526E+02 3.1296003E-03 2 1.1185831E+02 2.5067569E-02 3 4.6468874E+01 1.0050033E-01 4 2.1026666E+01 2.4620830E-01 5 9.7680169E+00 3.6922716E-01 6 4.4663327E+00 3.6032332E-01 7 1.9354927E+00 2.0828650E-01 8 7.3285164E-01 4.9513270E-02 Pseudo-large component functions -------------------------------- 1s 2s 3s 4s 5s 6s 1 5.8412526E+07 4.6259888E-06 -1.7670080E-06 8.4118540E-07 4.1625226E-07 -1.7380551E-07 -4.9898819E-08 2 1.4450381E+07 3.2689394E-05 -1.2494386E-05 5.9539792E-06 2.9423374E-06 -1.2291423E-06 -3.5283771E-07 3 4.4283945E+06 1.2652922E-04 -4.8364674E-05 2.3023576E-05 1.1395606E-05 -4.7579234E-06 -1.3660062E-06 4 1.4748376E+06 4.4241927E-04 -1.6937192E-04 8.0749936E-05 3.9894822E-05 -1.6667859E-05 -4.7845480E-06 5 5.2637938E+05 1.3935465E-03 -5.3399379E-04 2.5425594E-04 1.2589709E-04 -5.2560547E-05 -1.5090694E-05 6 1.9786382E+05 4.1230056E-03 -1.5862666E-03 7.5708728E-04 3.7398730E-04 -1.5627613E-04 -4.4858321E-05 7 7.7951635E+04 1.1406024E-02 -4.4115289E-03 2.1033231E-03 1.0423110E-03 -4.3513253E-04 -1.2493766E-04 8 3.2006794E+04 2.9513109E-02 -1.1574755E-02 5.5448327E-03 2.7398945E-03 -1.1453216E-03 -3.2875370E-04 9 1.3646723E+04 7.0281380E-02 -2.8247505E-02 1.3553858E-02 6.7323720E-03 -2.8110178E-03 -8.0721405E-04 10 6.0203176E+03 1.4859166E-01 -6.3058630E-02 3.0659034E-02 1.5187010E-02 -6.3556792E-03 -1.8244045E-03 11 2.7394674E+03 2.5924212E-01 -1.2147707E-01 5.9893084E-02 3.0008268E-02 -1.2543024E-02 -3.6033441E-03 12 1.2821313E+03 3.2024348E-01 -1.7915795E-01 9.2135817E-02 4.6063329E-02 -1.9361293E-02 -5.5584219E-03 13 6.1396017E+02 2.1365950E-01 -1.1339253E-01 5.7032692E-02 2.9494992E-02 -1.2272062E-02 -3.5337200E-03 14 2.8609314E+02 4.4614963E-02 2.5076605E-01 -1.8742012E-01 -1.0592206E-01 4.5173543E-02 1.3044400E-02 15 1.4366391E+02 -2.2547835E-03 5.6627049E-01 -5.6400903E-01 -3.2872434E-01 1.4388988E-01 4.1531341E-02 16 7.3735728E+01 1.6280014E-03 3.1533379E-01 -3.0895698E-01 -2.1064469E-01 9.3266271E-02 2.7180366E-02 17 3.5802096E+01 -9.5093104E-04 3.4938161E-02 7.0219871E-01 7.3473484E-01 -3.6280967E-01 -1.0724891E-01 18 1.8726246E+01 4.9840597E-04 -2.0983474E-03 6.3671354E-01 7.9841923E-01 -4.2783017E-01 -1.2730802E-01 19 8.3827410E+00 -2.3057468E-04 6.5735823E-04 7.5324639E-02 -7.4063570E-01 5.7589764E-01 1.8069333E-01 20 4.1820580E+00 1.0967774E-04 -4.0402111E-04 -5.2868630E-03 -7.8942233E-01 8.1622742E-01 2.8003806E-01 21 1.3926681E+00 -3.8232774E-05 1.4752991E-04 1.5275304E-03 -5.1975197E-02 -7.8764670E-01 -3.7150644E-01 22 6.3246082E-01 1.7220400E-05 -6.9683459E-05 -6.8451678E-04 8.9233565E-03 -6.3723054E-01 -4.0069431E-01 23 1.3153130E-01 -4.5598480E-06 2.6100405E-05 1.3627341E-04 -1.7636516E-03 -2.5943885E-02 6.0694624E-01 24 4.8024600E-02 2.0002653E-06 -1.5304219E-05 -4.4497389E-05 6.9765148E-04 4.1489282E-03 5.9772348E-01 2p 3p 4p 5p 6p 1 5.6309740E+06 1.0781457E-06 -5.5129670E-07 2.7053586E-07 -1.0311815E-07 2.4124442E-08 2 8.4956432E+05 1.1643133E-05 -5.9564377E-06 2.9150997E-06 -1.1167891E-06 2.6056364E-07 3 1.7643582E+05 9.3866346E-05 -4.8281399E-05 2.3735981E-05 -9.0421740E-06 2.1164525E-06 4 4.4505373E+04 6.4927565E-04 -3.3443079E-04 1.6392544E-04 -6.2822663E-05 1.4657931E-05 5 1.3113904E+04 3.7917864E-03 -1.9679906E-03 9.6932440E-04 -3.6955838E-04 8.6488570E-05 6 4.4234777E+03 1.8058298E-02 -9.4543204E-03 4.6525964E-03 -1.7840702E-03 4.1636204E-04 7 1.6714751E+03 6.8213170E-02 -3.6636040E-02 1.8193577E-02 -6.9477745E-03 1.6264345E-03 8 6.9068510E+02 1.9351074E-01 -1.0827321E-01 5.4122383E-02 -2.0841600E-02 4.8640308E-03 9 3.0466843E+02 3.6721267E-01 -2.1915125E-01 1.1196977E-01 -4.2900305E-02 1.0063258E-02 10 1.4076904E+02 3.6467351E-01 -1.8702269E-01 8.8816038E-02 -3.4394338E-02 7.9487070E-03 11 6.6110448E+01 1.2339571E-01 2.4864342E-01 -1.9255670E-01 8.2720706E-02 -1.9322017E-02 12 3.2617694E+01 1.2417089E-03 6.0650382E-01 -5.0115952E-01 2.0856490E-01 -4.9901069E-02 13 1.6164003E+01 -5.9077516E-04 2.7420094E-01 6.9523596E-03 -2.2210396E-02 7.2643814E-03 14 7.7760646E+00 -2.9961570E-03 2.0736263E-02 7.0309579E-01 -4.4563251E-01 1.0784019E-01 15 3.7142065E+00 -1.6637365E-03 1.5747969E-03 4.1431159E-01 -1.9055878E-01 4.9488087E-02 16 1.4327260E+00 -1.8117319E-03 -2.7863406E-04 3.0239422E-02 6.5097290E-01 -2.1356854E-01 17 5.7351019E-01 -1.6478566E-03 1.7096255E-04 -2.2205653E-03 5.2656660E-01 -1.5327604E-01 18 1.2613181E-01 -1.6290879E-03 3.1850857E-05 1.7332889E-04 4.1490403E-02 5.0591924E-01 19 3.9102623E-02 -9.0479265E-04 4.8708223E-05 -3.1247224E-04 -7.5806905E-03 6.2788690E-01 3d 4d 5d 1 3.9420044E+03 8.5374676E-04 -4.3278448E-04 1.1729352E-04 2 1.0694209E+03 9.0964493E-03 -4.6392044E-03 1.2419971E-03 3 3.9070489E+02 5.0766151E-02 -2.6234229E-02 7.1188938E-03 4 1.6428067E+02 1.7632129E-01 -9.3024758E-02 2.5036228E-02 5 7.4716419E+01 3.6920710E-01 -1.9405710E-01 5.3041041E-02 6 3.5471428E+01 4.0952810E-01 -1.6856193E-01 4.1493744E-02 7 1.6926909E+01 1.7215977E-01 2.0708215E-01 -7.0643758E-02 8 7.9370940E+00 1.5771684E-02 5.4832163E-01 -1.8718872E-01 9 3.5902832E+00 1.1484267E-03 3.6092615E-01 -4.7672349E-02 10 1.3590704E+00 -3.4911690E-04 4.8528993E-02 3.6808296E-01 11 5.0188370E-01 5.2096787E-05 -2.9353109E-03 5.4099134E-01 12 1.5969932E-01 -7.3713647E-05 1.1587559E-03 3.1268931E-01 4f 1 3.2939526E+02 2.9769960E-03 2 1.1185831E+02 2.4665873E-02 3 4.6468874E+01 9.9853482E-02 4 2.1026666E+01 2.4559577E-01 5 9.7680169E+00 3.6885053E-01 6 4.4663327E+00 3.6017645E-01 7 1.9354927E+00 2.0823905E-01 8 7.3285164E-01 4.9497040E-02 Foldy-Wouthuysen functions -------------------------- 1s 2s 3s 4s 5s 6s 1 5.8412526E+07 4.5949988E-04 -1.7882243E-04 8.5336654E-05 4.2254587E-05 -1.7647257E-05 -5.0671425E-06 2 1.4450381E+07 1.0824442E-03 -4.2203875E-04 2.0154269E-04 9.9660979E-05 -4.1627487E-05 -1.1949012E-05 3 4.4283945E+06 2.1676603E-03 -8.4640866E-04 4.0403261E-04 2.0020883E-04 -8.3613557E-05 -2.4011683E-05 4 1.4748376E+06 4.1063396E-03 -1.6106457E-03 7.7004203E-04 3.8064742E-04 -1.5901472E-04 -4.5639612E-05 5 5.2637938E+05 7.6489337E-03 -3.0161812E-03 1.4419761E-03 7.1508157E-04 -2.9865221E-04 -8.5775382E-05 6 1.9786382E+05 1.4211349E-02 -5.6618043E-03 2.7152664E-03 1.3423975E-03 -5.6093165E-04 -1.6097301E-04 7 7.7951635E+04 2.6686207E-02 -1.0766368E-02 5.1686819E-03 2.5661555E-03 -1.0716779E-03 -3.0779219E-04 8 3.2006794E+04 5.0810851E-02 -2.0944625E-02 1.0111812E-02 5.0055544E-03 -2.0940956E-03 -6.0109414E-04 9 1.3646723E+04 9.6550871E-02 -4.1039273E-02 1.9878735E-02 9.8962767E-03 -4.1333682E-03 -1.1871629E-03 10 6.0203176E+03 1.7459734E-01 -7.8751542E-02 3.8630107E-02 1.9157733E-02 -8.0201936E-03 -2.3020548E-03 11 2.7394674E+03 2.7419524E-01 -1.3695645E-01 6.8238802E-02 3.4297133E-02 -1.4344932E-02 -4.1214496E-03 12 1.2821313E+03 3.1528503E-01 -1.8841160E-01 9.7800200E-02 4.8964933E-02 -2.0591005E-02 -5.9117080E-03 13 6.1396017E+02 1.9968227E-01 -1.0956303E-01 5.4914857E-02 2.8476020E-02 -1.1843995E-02 -3.4119836E-03 14 2.8609314E+02 3.9349013E-02 2.6089993E-01 -1.9681170E-01 -1.1142713E-01 4.7550169E-02 1.3732221E-02 15 1.4366391E+02 -2.6174903E-03 5.6646286E-01 -5.7053739E-01 -3.3327221E-01 1.4597509E-01 4.2137717E-02 16 7.3735728E+01 1.4400975E-03 3.1136459E-01 -3.0544555E-01 -2.0852950E-01 9.2299928E-02 2.6899033E-02 17 3.5802096E+01 -9.2231473E-04 3.3955790E-02 7.0532553E-01 7.3967706E-01 -3.6542152E-01 -1.0802751E-01 18 1.8726246E+01 4.5529649E-04 -2.0469701E-03 6.3473862E-01 7.9726887E-01 -4.2732914E-01 -1.2716294E-01 19 8.3827410E+00 -2.1804537E-04 5.6500014E-04 7.5101896E-02 -7.4157334E-01 5.7695665E-01 1.8104735E-01 20 4.1820580E+00 9.7643860E-05 -3.4312970E-04 -5.4202857E-03 -7.8898843E-01 8.1609896E-01 2.8000309E-01 21 1.3926681E+00 -3.4545753E-05 1.0183720E-04 1.6110572E-03 -5.1857765E-02 -7.8783058E-01 -3.7161786E-01 22 6.3246082E-01 1.4855585E-05 -4.0713548E-05 -7.4012954E-04 8.8943846E-03 -6.3712596E-01 -4.0066450E-01 23 1.3153130E-01 -3.8646361E-06 1.0674581E-05 1.6260022E-04 -1.7548566E-03 -2.5951785E-02 6.0695005E-01 24 4.8024600E-02 1.5004326E-06 -4.5547507E-06 -6.3086227E-05 6.9140614E-04 4.1579306E-03 5.9772267E-01 2p 3p 4p 5p 6p 1 5.6309740E+06 5.2045222E-05 -2.6350934E-05 1.2924776E-05 -4.9235616E-06 1.1523832E-06 2 8.4956432E+05 1.8876374E-04 -9.5752710E-05 4.6739742E-05 -1.7901011E-05 4.1744247E-06 3 1.7643582E+05 6.3358849E-04 -3.2335492E-04 1.5893006E-04 -6.0529734E-05 1.4172892E-05 4 4.4505373E+04 2.0941096E-03 -1.0749160E-03 5.2620019E-04 -2.0163557E-04 4.7029794E-05 5 1.3113904E+04 7.1759624E-03 -3.7233993E-03 1.8352590E-03 -6.9968048E-04 1.6378877E-04 6 4.4234777E+03 2.4841462E-02 -1.3049078E-02 6.4257039E-03 -2.4646752E-03 5.7513472E-04 7 1.6714751E+03 7.9486264E-02 -4.2901561E-02 2.1333422E-02 -8.1482864E-03 1.9076504E-03 8 6.9068510E+02 2.0749635E-01 -1.1672479E-01 5.8417977E-02 -2.2502873E-02 5.2517146E-03 9 3.0466843E+02 3.7767155E-01 -2.2643820E-01 1.1582826E-01 -4.4386852E-02 1.0412605E-02 10 1.4076904E+02 3.6793014E-01 -1.8833143E-01 8.9266846E-02 -3.4565192E-02 7.9863795E-03 11 6.6110448E+01 1.2532335E-01 2.5132607E-01 -1.9500897E-01 8.3802396E-02 -1.9576136E-02 12 3.2617694E+01 3.7976336E-03 6.0678576E-01 -5.0230518E-01 2.0908231E-01 -5.0027904E-02 13 1.6164003E+01 1.9367317E-03 2.7329166E-01 8.2654408E-03 -2.2864407E-02 7.4261014E-03 14 7.7760646E+00 -1.0763366E-03 2.0582627E-02 7.0366664E-01 -4.4611377E-01 1.0795963E-01 15 3.7142065E+00 4.1456092E-04 1.4725328E-03 4.1444842E-01 -1.9053295E-01 4.9479452E-02 16 1.4327260E+00 -1.5283707E-04 -3.3921261E-04 3.0481274E-02 6.5100245E-01 -2.1359432E-01 17 5.7351019E-01 5.7451265E-05 1.0015547E-04 -1.9399668E-03 5.2648597E-01 -1.5325560E-01 18 1.2613181E-01 -1.4263361E-05 -3.2064048E-05 4.3898660E-04 4.1443466E-02 5.0594012E-01 19 3.9102623E-02 5.3012824E-06 1.1832714E-05 -1.6309639E-04 -7.6077108E-03 6.2789539E-01 3d 4d 5d 1 3.9420044E+03 1.2538613E-03 -6.3541199E-04 1.7212933E-04 2 1.0694209E+03 1.0434169E-02 -5.3261875E-03 1.4262879E-03 3 3.9070489E+02 5.3807286E-02 -2.7833162E-02 7.5536351E-03 4 1.6428067E+02 1.8073215E-01 -9.5441027E-02 2.5690784E-02 5 7.4716419E+01 3.7290800E-01 -1.9610970E-01 5.3607235E-02 6 3.5471428E+01 4.1082741E-01 -1.6892940E-01 4.1560943E-02 7 1.6926909E+01 1.7242639E-01 2.0788731E-01 -7.0918665E-02 8 7.9370940E+00 1.6070119E-02 5.4872665E-01 -1.8735530E-01 9 3.5902832E+00 1.3606998E-03 3.6096803E-01 -4.7632817E-02 10 1.3590704E+00 -2.2065420E-04 4.8571249E-02 3.6815704E-01 11 5.0188370E-01 1.0589992E-04 -2.9058987E-03 5.4101216E-01 12 1.5969932E-01 -3.7303044E-05 1.1766105E-03 3.1269712E-01 4f 1 3.2939526E+02 3.1741695E-03 2 1.1185831E+02 2.5219283E-02 3 4.6468874E+01 1.0077362E-01 4 2.1026666E+01 2.4650247E-01 5 9.7680169E+00 3.6939589E-01 6 4.4663327E+00 3.6037921E-01 7 1.9354927E+00 2.0829164E-01 8 7.3285164E-01 4.9512307E-02 ** Ir 193 ** Large component functions ------------------------- 1s 2s 3s 4s 5s 6s 1 5.8624044E+07 1.8309655E-04 -7.0460429E-05 3.3629595E-05 1.6689547E-05 -7.0549730E-06 -2.0343949E-06 2 1.4573345E+07 4.6579087E-04 -1.7995245E-04 8.5961041E-05 4.2653438E-05 -1.8033163E-05 -5.1999860E-06 3 4.4908758E+06 1.0358304E-03 -4.0202999E-04 1.9212583E-04 9.5393362E-05 -4.0325320E-05 -1.1628644E-05 4 1.5030825E+06 2.1724031E-03 -8.4964077E-04 4.0671441E-04 2.0186715E-04 -8.5361674E-05 -2.4614655E-05 5 5.3875119E+05 4.5300506E-03 -1.7884490E-03 8.5685169E-04 4.2582657E-04 -1.8001837E-04 -5.1914505E-05 6 2.0318940E+05 9.4357255E-03 -3.7747152E-03 1.8138604E-03 9.0073863E-04 -3.8101600E-04 -1.0986884E-04 7 8.0255242E+04 1.9774825E-02 -8.0322110E-03 3.8643901E-03 1.9234816E-03 -8.1321215E-04 -2.3453741E-04 8 3.3014427E+04 4.1317326E-02 -1.7154310E-02 8.2963664E-03 4.1232010E-03 -1.7451446E-03 -5.0322505E-04 9 1.4094928E+04 8.4244832E-02 -3.6051999E-02 1.7486239E-02 8.7292248E-03 -3.6912334E-03 -1.0647465E-03 10 6.2234292E+03 1.6000324E-01 -7.2432173E-02 3.5585770E-02 1.7729666E-02 -7.5137854E-03 -2.1667352E-03 11 2.8333323E+03 2.6043892E-01 -1.2991618E-01 6.4692841E-02 3.2574700E-02 -1.3787226E-02 -3.9786357E-03 12 1.3263760E+03 3.0893427E-01 -1.8249500E-01 9.4560668E-02 4.7508569E-02 -2.0222999E-02 -5.8323903E-03 13 6.3523165E+02 2.0245841E-01 -1.0950664E-01 5.4495200E-02 2.8212905E-02 -1.1856077E-02 -3.4288410E-03 14 2.9645041E+02 4.2338490E-02 2.5413572E-01 -1.9291762E-01 -1.0965278E-01 4.7360944E-02 1.3738955E-02 15 1.4890504E+02 -2.0220951E-03 5.6233679E-01 -5.6556599E-01 -3.3154723E-01 1.4709444E-01 4.2663176E-02 16 7.6470799E+01 1.5056259E-03 3.1395593E-01 -3.0881451E-01 -2.1075515E-01 9.4328788E-02 2.7615390E-02 17 3.7168731E+01 -8.8170959E-04 3.4938948E-02 7.0007806E-01 7.3765177E-01 -3.6927407E-01 -1.0975081E-01 18 1.9458742E+01 4.6083181E-04 -1.9706552E-03 6.3747254E-01 8.0322844E-01 -4.3737035E-01 -1.3097590E-01 19 8.7325237E+00 -2.1405189E-04 5.6630027E-04 7.6658329E-02 -7.3667031E-01 5.8505496E-01 1.8519645E-01 20 4.3807576E+00 1.0232707E-04 -3.4205586E-04 -5.6086443E-03 -7.9445852E-01 8.3529574E-01 2.8917247E-01 21 1.4813434E+00 -3.5056934E-05 1.0773294E-04 1.6383622E-03 -5.3054196E-02 -7.9948025E-01 -3.8502296E-01 22 6.7303921E-01 1.5228294E-05 -4.1312027E-05 -7.4329362E-04 8.7673705E-03 -6.3846556E-01 -3.9491087E-01 23 1.4069657E-01 -3.6980309E-06 1.0452415E-05 1.6230797E-04 -1.7086877E-03 -2.5855798E-02 6.0399403E-01 24 5.0684820E-02 1.4577137E-06 -4.2237656E-06 -6.2189770E-05 6.6456939E-04 4.0295845E-03 6.0087805E-01 2p 3p 4p 5p 6p 1 6.0994064E+06 5.3134369E-05 -2.7155998E-05 1.3359537E-05 -5.1827573E-06 1.1982172E-06 2 9.2634966E+05 1.8135700E-04 -9.2771663E-05 4.5636565E-05 -1.7712487E-05 4.0941082E-06 3 1.9277954E+05 5.6683220E-04 -2.9077640E-04 1.4321928E-04 -5.5544562E-05 1.2845232E-05 4 4.8588029E+04 1.8081294E-03 -9.3195676E-04 4.5901319E-04 -1.7836309E-04 4.1211196E-05 5 1.4268191E+04 6.2345984E-03 -3.2445075E-03 1.6044711E-03 -6.2208983E-04 1.4395615E-04 6 4.7887390E+03 2.2174811E-02 -1.1680456E-02 5.7786095E-03 -2.2500611E-03 5.1968446E-04 7 1.8002122E+03 7.2960323E-02 -3.9418748E-02 1.9678608E-02 -7.6381574E-03 1.7687660E-03 8 7.4060396E+02 1.9590451E-01 -1.1017648E-01 5.5335000E-02 -2.1644669E-02 4.9983160E-03 9 3.2555172E+02 3.6822875E-01 -2.2030668E-01 1.1309005E-01 -4.4035004E-02 1.0218516E-02 10 1.5005170E+02 3.7451808E-01 -1.9756928E-01 9.5081146E-02 -3.7406945E-02 8.5631866E-03 11 7.0477700E+01 1.3586454E-01 2.2561527E-01 -1.7762354E-01 7.7824201E-02 -1.7988650E-02 12 3.4738384E+01 5.2392108E-03 6.0590932E-01 -5.0403597E-01 2.1363935E-01 -5.0586530E-02 13 1.7263171E+01 2.0578195E-03 2.9213830E-01 -2.5745059E-02 -6.6893650E-03 3.5171571E-03 14 8.2690088E+00 -1.1400929E-03 2.4773850E-02 6.9965439E-01 -4.5221493E-01 1.0862817E-01 15 3.9551875E+00 4.4889359E-04 1.1446346E-03 4.3271294E-01 -2.0993679E-01 5.3718048E-02 16 1.5285759E+00 -1.6564803E-04 -2.3997619E-04 3.2957848E-02 6.5723221E-01 -2.1513742E-01 17 6.1254467E-01 6.2456110E-05 5.9410197E-05 -2.1265441E-03 5.2787879E-01 -1.4858618E-01 18 1.3370078E-01 -1.5226278E-05 -2.2568090E-05 4.8299123E-04 4.0541314E-02 5.0124003E-01 19 4.0784437E-02 5.6100426E-06 8.2072815E-06 -1.7688985E-04 -7.4398536E-03 6.3308107E-01 3d 4d 5d 1 4.1301794E+03 1.1579895E-03 -5.9161731E-04 1.6687404E-04 2 1.1173296E+03 9.9444814E-03 -5.1151852E-03 1.4289508E-03 3 4.0755343E+02 5.2154778E-02 -2.7175258E-02 7.6886357E-03 4 1.7122393E+02 1.7732459E-01 -9.4333296E-02 2.6483380E-02 5 7.7865474E+01 3.6975590E-01 -1.9595501E-01 5.5850129E-02 6 3.6984121E+01 4.1162316E-01 -1.7176863E-01 4.4136252E-02 7 1.7675430E+01 1.7529202E-01 2.0416156E-01 -7.3331655E-02 8 8.3087630E+00 1.6776780E-02 5.4900183E-01 -1.9660687E-01 9 3.7839176E+00 1.3576542E-03 3.6159724E-01 -4.9776371E-02 10 1.4551293E+00 -2.3156421E-04 4.8938230E-02 3.7967609E-01 11 5.4428814E-01 1.0622914E-04 -2.6630450E-03 5.3950168E-01 12 1.7537445E-01 -3.8868803E-05 1.1578910E-03 2.9925397E-01 4f 1 3.5289941E+02 2.9486566E-03 2 1.1984064E+02 2.3882333E-02 3 4.9899918E+01 9.7065785E-02 4 2.2643775E+01 2.4172256E-01 5 1.0575041E+01 3.6840974E-01 6 4.8736802E+00 3.6311822E-01 7 2.1356461E+00 2.0859942E-01 8 8.1914535E-01 4.8465404E-02 Pseudo-large component functions -------------------------------- 1s 2s 3s 4s 5s 6s 1 5.8624044E+07 4.8307212E-06 -1.8537071E-06 8.8402192E-07 4.3890118E-07 -1.8548991E-07 -5.3490764E-08 2 1.4573345E+07 3.3953155E-05 -1.3036884E-05 6.2233863E-06 3.0857891E-06 -1.3047820E-06 -3.7622323E-07 3 4.4908758E+06 1.3028068E-04 -5.0028795E-05 2.3857987E-05 1.1847811E-05 -5.0068144E-06 -1.4438709E-06 4 1.5030825E+06 4.5230193E-04 -1.7395293E-04 8.3079857E-05 4.1183732E-05 -1.7416305E-05 -5.0217191E-06 5 5.3875119E+05 1.4151829E-03 -5.4480700E-04 2.5986615E-04 1.2910220E-04 -5.4552795E-05 -1.5732495E-05 6 2.0318940E+05 4.1642929E-03 -1.6095512E-03 7.6955598E-04 3.8142548E-04 -1.6133098E-04 -4.6516195E-05 7 8.0255242E+04 1.1465681E-02 -4.4551570E-03 2.1279199E-03 1.0579972E-03 -4.4703679E-04 -1.2892760E-04 8 3.3014427E+04 2.9552381E-02 -1.1642093E-02 5.5868986E-03 2.7699964E-03 -1.1720680E-03 -3.3793526E-04 9 1.4094928E+04 7.0152050E-02 -2.8315144E-02 1.3610268E-02 6.7827438E-03 -2.8663435E-03 -8.2676859E-04 10 6.2234292E+03 1.4799499E-01 -6.3021518E-02 3.0691971E-02 1.5254715E-02 -6.4623387E-03 -1.8633308E-03 11 2.8333323E+03 2.5800127E-01 -1.2112411E-01 5.9809910E-02 3.0064049E-02 -1.2717942E-02 -3.6698790E-03 12 1.3263760E+03 3.1926351E-01 -1.7825442E-01 9.1759859E-02 4.6026940E-02 -1.9585835E-02 -5.6482301E-03 13 6.3523165E+02 2.1423184E-01 -1.1261921E-01 5.6522709E-02 2.9295175E-02 -1.2324124E-02 -3.5642086E-03 14 2.9645041E+02 4.5355024E-02 2.4923473E-01 -1.8689997E-01 -1.0602671E-01 4.5762265E-02 1.3274771E-02 15 1.4890504E+02 -2.1989780E-03 5.6481473E-01 -5.6269191E-01 -3.2925726E-01 1.4601892E-01 4.2347919E-02 16 7.6470799E+01 1.6321226E-03 3.1683554E-01 -3.1107685E-01 -2.1241240E-01 9.5107072E-02 2.7843950E-02 17 3.7168731E+01 -9.5683045E-04 3.5546797E-02 6.9899782E-01 7.3488932E-01 -3.6771128E-01 -1.0928043E-01 18 1.9458742E+01 5.0446985E-04 -2.1564775E-03 6.3927530E-01 8.0421898E-01 -4.3785981E-01 -1.3111918E-01 19 8.7325237E+00 -2.3613998E-04 6.8875718E-04 7.6654744E-02 -7.3644046E-01 5.8448935E-01 1.8499444E-01 20 4.3807576E+00 1.1354783E-04 -4.2112668E-04 -5.4911798E-03 -7.9484479E-01 8.3540741E-01 2.8920773E-01 21 1.4813434E+00 -3.9699859E-05 1.5385716E-04 1.5639053E-03 -5.3116848E-02 -7.9941718E-01 -3.8495989E-01 22 6.7303921E-01 1.7671683E-05 -7.1486444E-05 -6.9317400E-04 8.7928402E-03 -6.3855206E-01 -3.9493399E-01 23 1.4069657E-01 -4.6348608E-06 2.6239220E-05 1.3524466E-04 -1.7201422E-03 -2.5843309E-02 6.0399669E-01 24 5.0684820E-02 2.0210038E-06 -1.5211346E-05 -4.3132428E-05 6.7220478E-04 4.0199921E-03 6.0087767E-01 2p 3p 4p 5p 6p 1 6.0994064E+06 1.0334979E-06 -5.2967937E-07 2.6109715E-07 -1.0110218E-07 2.3400322E-08 2 9.2634966E+05 1.1017801E-05 -5.6515423E-06 2.7771831E-06 -1.0807304E-06 2.4946357E-07 3 1.9277954E+05 8.7795111E-05 -4.5260569E-05 2.2353174E-05 -8.6507681E-06 2.0032472E-06 4 4.8588029E+04 6.0325160E-04 -3.1156819E-04 1.5334233E-04 -5.9695778E-05 1.3779738E-05 5 1.4268191E+04 3.5261235E-03 -1.8341966E-03 9.0755203E-04 -3.5150427E-04 8.1386769E-05 6 4.7887390E+03 1.6904717E-02 -8.8703255E-03 4.3827560E-03 -1.7071358E-03 3.9415983E-04 7 1.8002122E+03 6.4532711E-02 -3.4693885E-02 1.7303295E-02 -6.7127105E-03 1.5546504E-03 8 7.4060396E+02 1.8586357E-01 -1.0402587E-01 5.2183519E-02 -2.0410080E-02 4.7126913E-03 9 3.2555172E+02 3.6084901E-01 -2.1517107E-01 1.1038618E-01 -4.2972838E-02 9.9723514E-03 10 1.5005170E+02 3.7161009E-01 -1.9636994E-01 9.4659102E-02 -3.7256497E-02 8.5292249E-03 11 7.0477700E+01 1.3332640E-01 2.2443144E-01 -1.7617319E-01 7.7160582E-02 -1.7832807E-02 12 3.4738384E+01 2.4807368E-03 6.0626148E-01 -5.0353400E-01 2.1338365E-01 -5.0524842E-02 13 1.7263171E+01 -5.6735652E-04 2.9284654E-01 -2.6599317E-02 -6.2298682E-03 3.4054794E-03 14 8.2690088E+00 -3.1516893E-03 2.4896235E-02 6.9929440E-01 -4.5189058E-01 1.0854678E-01 15 3.9551875E+00 -1.6944042E-03 1.2361288E-03 4.3253508E-01 -2.0991186E-01 5.3716211E-02 16 1.5285759E+00 -1.8871839E-03 -1.7627994E-04 3.2687325E-02 6.5725740E-01 -2.1512962E-01 17 6.1254467E-01 -1.7097067E-03 1.3055655E-04 -2.4202970E-03 5.2795841E-01 -1.4860546E-01 18 1.3370078E-01 -1.7052084E-03 4.2642755E-05 2.0331407E-04 4.0588832E-02 5.0122170E-01 19 4.0784437E-02 -9.3885649E-04 4.5696590E-05 -3.3298574E-04 -7.4118020E-03 6.3307215E-01 3d 4d 5d 1 4.1301794E+03 8.3022086E-04 -4.2393302E-04 1.1978820E-04 2 1.1173296E+03 8.8883163E-03 -4.5673480E-03 1.2750140E-03 3 4.0755343E+02 4.9859651E-02 -2.5952781E-02 7.3429439E-03 4 1.7122393E+02 1.7416381E-01 -9.2579014E-02 2.5985470E-02 5 7.7865474E+01 3.6718653E-01 -1.9452163E-01 5.5441087E-02 6 3.6984121E+01 4.1066566E-01 -1.7151830E-01 4.4089999E-02 7 1.7675430E+01 1.7492353E-01 2.0368515E-01 -7.3146924E-02 8 8.3087630E+00 1.6444049E-02 5.4876387E-01 -1.9649963E-01 9 3.7839176E+00 1.1353849E-03 3.6155177E-01 -4.9801517E-02 10 1.4551293E+00 -3.6509111E-04 4.8884319E-02 3.7962581E-01 11 5.4428814E-01 4.8858321E-05 -2.6944617E-03 5.3948682E-01 12 1.7537445E-01 -7.7797291E-05 1.1386421E-03 2.9924532E-01 4f 1 3.5289941E+02 2.7955937E-03 2 1.1984064E+02 2.3471707E-02 3 4.9899918E+01 9.6392212E-02 4 2.2643775E+01 2.4106977E-01 5 1.0575041E+01 3.6800152E-01 6 4.8736802E+00 3.6295763E-01 7 2.1356461E+00 2.0854830E-01 8 8.1914535E-01 4.8446972E-02 Foldy-Wouthuysen functions -------------------------- 1s 2s 3s 4s 5s 6s 1 5.8624044E+07 4.8606804E-04 -1.9004074E-04 9.0852372E-05 4.5134486E-05 -1.9079247E-05 -5.5027964E-06 2 1.4573345E+07 1.1387000E-03 -4.4603770E-04 2.1337682E-04 1.0586906E-04 -4.4759977E-05 -1.2905332E-05 3 4.4908758E+06 2.2664671E-03 -8.8913770E-04 4.2519703E-04 2.1139028E-04 -8.9355236E-05 -2.5775531E-05 4 1.5030825E+06 4.2676343E-03 -1.6818038E-03 8.0547104E-04 3.9951144E-04 -1.6893391E-04 -4.8701763E-05 5 5.3875119E+05 7.9033253E-03 -3.1314875E-03 1.4998327E-03 7.4622620E-04 -3.1543945E-04 -9.1003524E-05 6 2.0318940E+05 1.4593384E-02 -5.8426719E-03 2.8069595E-03 1.3924596E-03 -5.8897035E-04 -1.6977039E-04 7 8.0255242E+04 2.7220996E-02 -1.1038919E-02 5.3094455E-03 2.6447919E-03 -1.1179006E-03 -3.2250605E-04 8 3.3014427E+04 5.1460852E-02 -2.1325936E-02 1.0315015E-02 5.1236154E-03 -2.1697536E-03 -6.2558885E-04 9 1.4094928E+04 9.7119912E-02 -4.1505058E-02 2.0143801E-02 1.0061811E-02 -4.2534200E-03 -1.2271076E-03 10 6.2234292E+03 1.7465437E-01 -7.9161997E-02 3.8905055E-02 1.9360798E-02 -8.2048960E-03 -2.3656137E-03 11 2.8333323E+03 2.7336362E-01 -1.3701587E-01 6.8389985E-02 3.4486808E-02 -1.4598444E-02 -4.2130295E-03 12 1.3263760E+03 3.1427856E-01 -1.8773427E-01 9.7564735E-02 4.9011227E-02 -2.0866536E-02 -6.0177730E-03 13 6.3523165E+02 1.9990459E-01 -1.0870228E-01 5.4340105E-02 2.8237809E-02 -1.1873727E-02 -3.4356059E-03 14 2.9645041E+02 3.9877831E-02 2.5965280E-01 -1.9657513E-01 -1.1171890E-01 4.8249870E-02 1.3998061E-02 15 1.4890504E+02 -2.5800446E-03 5.6506749E-01 -5.6946054E-01 -3.3399017E-01 1.4821858E-01 4.2990936E-02 16 7.6470799E+01 1.4349011E-03 3.1272959E-01 -3.0746732E-01 -2.1022818E-01 9.4094249E-02 2.7547379E-02 17 3.7168731E+01 -9.2586607E-04 3.4522893E-02 7.0225668E-01 7.4003933E-01 -3.7046990E-01 -1.1010718E-01 18 1.9458742E+01 4.5867767E-04 -2.1065174E-03 6.3723279E-01 8.0303500E-01 -4.3734264E-01 -1.3096952E-01 19 8.7325237E+00 -2.2235224E-04 5.9447176E-04 7.6418355E-02 -7.3743337E-01 5.8562769E-01 1.8537906E-01 20 4.3807576E+00 1.0054091E-04 -3.5864760E-04 -5.6312069E-03 -7.9438948E-01 8.3526744E-01 2.8916861E-01 21 1.4813434E+00 -3.5651883E-05 1.0700940E-04 1.6512568E-03 -5.2990853E-02 -7.9961489E-01 -3.8508163E-01 22 6.7303921E-01 1.5116628E-05 -4.2223686E-05 -7.5060496E-04 8.7622725E-03 -6.3843976E-01 -3.9490084E-01 23 1.4069657E-01 -3.8833532E-06 1.0905208E-05 1.6192435E-04 -1.7110478E-03 -2.5851454E-02 6.0400052E-01 24 5.0684820E-02 1.4856997E-06 -4.6025030E-06 -6.1835786E-05 6.6585097E-04 4.0292982E-03 6.0087695E-01 2p 3p 4p 5p 6p 1 6.0994064E+06 5.1481882E-05 -2.6126453E-05 1.2871790E-05 -4.9813733E-06 1.1534853E-06 2 9.2634966E+05 1.8607842E-04 -9.4632068E-05 4.6384526E-05 -1.8044560E-05 4.1629858E-06 3 1.9277954E+05 6.2053839E-04 -3.1739168E-04 1.5670109E-04 -6.0631247E-05 1.4045357E-05 4 4.8588029E+04 2.0320919E-03 -1.0456343E-03 5.1396173E-04 -2.0004918E-04 4.6161702E-05 5 1.4268191E+04 6.8897172E-03 -3.5823368E-03 1.7737028E-03 -6.8696965E-04 1.5910003E-04 6 4.7887390E+03 2.3694333E-02 -1.2473516E-02 6.1669961E-03 -2.4027652E-03 5.5470945E-04 7 1.8002122E+03 7.5928880E-02 -4.1025748E-02 2.0489017E-02 -7.9501469E-03 1.8414231E-03 8 7.4060396E+02 2.0024788E-01 -1.1269705E-01 5.6604556E-02 -2.2146464E-02 5.1136077E-03 9 3.2555172E+02 3.7194102E-01 -2.2285940E-01 1.1447061E-01 -4.4571831E-02 1.0344076E-02 10 1.5005170E+02 3.7520870E-01 -1.9802120E-01 9.5306817E-02 -3.7509127E-02 8.5853979E-03 11 7.0477700E+01 1.3524690E-01 2.2719044E-01 -1.7867349E-01 7.8280154E-02 -1.8093154E-02 12 3.4738384E+01 5.1109315E-03 6.0670089E-01 -5.0487200E-01 2.1399916E-01 -5.0673753E-02 13 1.7263171E+01 2.0438963E-03 2.9187934E-01 -2.5254698E-02 -6.9071131E-03 3.5712756E-03 14 8.2690088E+00 -1.1388984E-03 2.4724724E-02 6.9993511E-01 -4.5243067E-01 1.0868000E-01 15 3.9551875E+00 4.4681710E-04 1.1307124E-03 4.3266969E-01 -2.0988338E-01 5.3706535E-02 16 1.5285759E+00 -1.6519505E-04 -2.3643172E-04 3.2937363E-02 6.5729197E-01 -2.1515811E-01 17 6.1254467E-01 6.2195054E-05 5.8052328E-05 -2.1266131E-03 5.2787287E-01 -1.4858356E-01 18 1.3370078E-01 -1.5146257E-05 -2.2408289E-05 4.8323453E-04 4.0539687E-02 5.0124344E-01 19 4.0784437E-02 5.5778432E-06 8.1453971E-06 -1.7695486E-04 -7.4398813E-03 6.3308106E-01 3d 4d 5d 1 4.1301794E+03 1.2354204E-03 -6.3064285E-04 1.7810957E-04 2 1.1173296E+03 1.0250128E-02 -5.2719120E-03 1.4721050E-03 3 4.0755343E+02 5.2970404E-02 -2.7600087E-02 7.8099684E-03 4 1.7122393E+02 1.7870852E-01 -9.5087040E-02 2.6694142E-02 5 7.7865474E+01 3.7103227E-01 -1.9667181E-01 5.6059671E-02 6 3.6984121E+01 4.1203229E-01 -1.7191907E-01 4.4167866E-02 7 1.7675430E+01 1.7519861E-01 2.0452531E-01 -7.3448072E-02 8 8.3087630E+00 1.6752643E-02 5.4919204E-01 -1.9668458E-01 9 3.7839176E+00 1.3546167E-03 3.6159362E-01 -4.9756287E-02 10 1.4551293E+00 -2.3088121E-04 4.8928017E-02 3.7970765E-01 11 5.4428814E-01 1.0595324E-04 -2.6630142E-03 5.3950883E-01 12 1.7537445E-01 -3.8807274E-05 1.1578810E-03 2.9925385E-01 4f 1 3.5289941E+02 2.9930864E-03 2 1.1984064E+02 2.4036146E-02 3 4.9899918E+01 9.7348959E-02 4 2.2643775E+01 2.4203534E-01 5 1.0575041E+01 3.6859427E-01 6 4.8736802E+00 3.6318025E-01 7 2.1356461E+00 2.0860478E-01 8 8.1914535E-01 4.8464257E-02 ** Pt 195 ** Large component functions ------------------------- 1s 2s 3s 4s 5s 6s 1 5.8652322E+07 1.9439382E-04 -7.5156816E-05 3.5933022E-05 1.7891841E-05 -7.6488648E-06 -2.2114401E-06 2 1.4650918E+07 4.9152654E-04 -1.9078950E-04 9.1295560E-05 4.5451194E-05 -1.9433838E-05 -5.6186103E-06 3 4.5402463E+06 1.0853402E-03 -4.2325054E-04 2.0262043E-04 1.0093820E-04 -4.3152423E-05 -1.2476542E-05 4 1.5274308E+06 2.2595318E-03 -8.8797994E-04 4.2581299E-04 2.1205235E-04 -9.0685866E-05 -2.6218742E-05 5 5.4993612E+05 4.6779333E-03 -1.8559428E-03 8.9077817E-04 4.4415962E-04 -1.8989414E-04 -5.4906087E-05 6 2.0814431E+05 9.6714223E-03 -3.8886444E-03 1.8719760E-03 9.3272468E-04 -3.9902879E-04 -1.1536646E-04 7 8.2440756E+04 2.0119602E-02 -8.2156232E-03 3.9600096E-03 1.9776560E-03 -8.4557440E-04 -2.4450946E-04 8 3.3983756E+04 4.1743582E-02 -1.7425980E-02 8.4435797E-03 4.2106254E-03 -1.8024473E-03 -5.2112486E-04 9 1.4530572E+04 8.4587266E-02 -3.6398520E-02 1.7688453E-02 8.8597466E-03 -3.7887397E-03 -1.0957276E-03 10 6.4224005E+03 1.5986794E-01 -7.2733827E-02 3.5800345E-02 1.7897583E-02 -7.6717330E-03 -2.2181790E-03 11 2.9258352E+03 2.5942275E-01 -1.2988055E-01 6.4787328E-02 3.2730208E-02 -1.4008733E-02 -4.0530696E-03 12 1.3701824E+03 3.0763965E-01 -1.8168382E-01 9.4245074E-02 4.7506644E-02 -2.0456461E-02 -5.9157595E-03 13 6.5638428E+02 2.0236941E-01 -1.0829770E-01 5.3710664E-02 2.7863659E-02 -1.1825664E-02 -3.4280142E-03 14 3.0679875E+02 4.2807536E-02 2.5343756E-01 -1.9312998E-01 -1.1019842E-01 4.8130296E-02 1.3998604E-02 15 1.5414344E+02 -1.9582999E-03 5.6086656E-01 -5.6459322E-01 -3.3232517E-01 1.4926616E-01 4.3425220E-02 16 7.9209050E+01 1.4995231E-03 3.1470859E-01 -3.0978538E-01 -2.1180097E-01 9.5765056E-02 2.8104242E-02 17 3.8552732E+01 -8.8127237E-04 3.5371666E-02 6.9755022E-01 7.3876782E-01 -3.7443921E-01 -1.1165626E-01 18 2.0201660E+01 4.6271464E-04 -2.0012156E-03 6.3930848E-01 8.0802981E-01 -4.4672903E-01 -1.3440762E-01 19 9.0879346E+00 -2.1719992E-04 5.8595570E-04 7.7816023E-02 -7.3360772E-01 5.9444103E-01 1.8953149E-01 20 4.5842276E+00 1.0486337E-04 -3.5309352E-04 -5.8130343E-03 -7.9889584E-01 8.5272427E-01 2.9709556E-01 21 1.5729843E+00 -3.5935040E-05 1.1164014E-04 1.6732646E-03 -5.4055652E-02 -8.1098550E-01 -3.9705296E-01 22 7.1448088E-01 1.5382133E-05 -4.2130296E-05 -7.5040536E-04 8.5943358E-03 -6.3969334E-01 -3.8900864E-01 23 1.4976130E-01 -3.6824827E-06 1.0511239E-05 1.6099675E-04 -1.6601740E-03 -2.5674694E-02 6.0128158E-01 24 5.3281355E-02 1.4348012E-06 -4.2058031E-06 -6.0858825E-05 6.3901921E-04 3.9181670E-03 6.0334691E-01 2p 3p 4p 5p 6p 1 6.5881210E+06 5.2770144E-05 -2.7035386E-05 1.3357524E-05 -5.2574267E-06 1.2002722E-06 2 1.0079345E+06 1.7953446E-04 -9.2063787E-05 4.5482104E-05 -1.7909290E-05 4.0878311E-06 3 2.1029597E+05 5.5694776E-04 -2.8636085E-04 1.4165329E-04 -5.5738545E-05 1.2728650E-05 4 5.2983105E+04 1.7555481E-03 -9.0697688E-04 4.4858644E-04 -1.7683962E-04 4.0349035E-05 5 1.5512343E+04 5.9759262E-03 -3.1161662E-03 1.5477221E-03 -6.0886010E-04 1.3912868E-04 6 5.1816740E+03 2.1107685E-02 -1.1142289E-02 5.5348191E-03 -2.1863742E-03 4.9867407E-04 7 1.9381775E+03 6.9572238E-02 -3.7628469E-02 1.8864937E-02 -7.4293462E-03 1.6988561E-03 8 7.9388170E+02 1.8873538E-01 -1.0619835E-01 5.3530022E-02 -2.1240447E-02 4.8438925E-03 9 3.4777294E+02 3.6192248E-01 -2.1635477E-01 1.1150864E-01 -4.4060229E-02 1.0095769E-02 10 1.5991737E+02 3.8091583E-01 -2.0627729E-01 1.0060569E-01 -4.0175519E-02 9.0927151E-03 11 7.5149019E+01 1.4615931E-01 2.0123620E-01 -1.6114246E-01 7.1945735E-02 -1.6424832E-02 12 3.6989883E+01 6.9305942E-03 6.0422455E-01 -5.0498497E-01 2.1763386E-01 -5.0895937E-02 13 1.8421215E+01 2.1020983E-03 3.1127392E-01 -5.8879978E-02 9.5370419E-03 -3.4406433E-04 14 8.7800722E+00 -1.1694280E-03 2.9302765E-02 6.9472643E-01 -4.5733587E-01 1.0885120E-01 15 4.2047231E+00 4.6717414E-04 7.5433604E-04 4.5054924E-01 -2.2898316E-01 5.7631255E-02 16 1.6273802E+00 -1.7289172E-04 -1.2244497E-04 3.5438067E-02 6.6291689E-01 -2.1575672E-01 17 6.5253058E-01 6.5364407E-05 1.2334531E-05 -2.3080934E-03 5.2949553E-01 -1.4429796E-01 18 1.4122897E-01 -1.5630207E-05 -1.2023873E-05 5.2570118E-04 3.9688489E-02 4.9603677E-01 19 4.2416794E-02 5.7119514E-06 4.2698457E-06 -1.9011609E-04 -7.2939964E-03 6.3868091E-01 3d 4d 5d 1 4.3204431E+03 1.1415086E-03 -5.8742815E-04 1.7173881E-04 2 1.1655830E+03 9.7811989E-03 -5.0686847E-03 1.4679702E-03 3 4.2446935E+02 5.1414498E-02 -2.6983150E-02 7.9137192E-03 4 1.7817827E+02 1.7554578E-01 -9.4081746E-02 2.7387062E-02 5 8.1012871E+01 3.6812096E-01 -1.9660526E-01 5.8090891E-02 6 3.8494116E+01 4.1262916E-01 -1.7443354E-01 4.6514987E-02 7 1.8420578E+01 1.7764940E-01 2.0166044E-01 -7.5782626E-02 8 8.6789413E+00 1.7349416E-02 5.4972898E-01 -2.0523721E-01 9 3.9779097E+00 1.3529342E-03 3.6141913E-01 -5.1149733E-02 10 1.5525294E+00 -2.4280509E-04 4.9053184E-02 3.9002700E-01 11 5.8693406E-01 1.0689489E-04 -2.4093029E-03 5.3769799E-01 12 1.9109985E-01 -4.0229557E-05 1.1217231E-03 2.8789433E-01 4f 1 3.7657261E+02 2.7962741E-03 2 1.2787104E+02 2.2868566E-02 3 5.3348074E+01 9.4110583E-02 4 2.4269039E+01 2.3778964E-01 5 1.1386468E+01 3.6769968E-01 6 5.2840079E+00 3.6561144E-01 7 2.3378116E+00 2.0875287E-01 8 9.0639763E-01 4.7473677E-02 Pseudo-large component functions -------------------------------- 1s 2s 3s 4s 5s 6s 1 5.8652322E+07 5.0624705E-06 -1.9516609E-06 9.3234490E-07 4.6442112E-07 -1.9849520E-07 -5.7391020E-08 2 1.4650918E+07 3.5389251E-05 -1.3651147E-05 6.5277467E-06 3.2474962E-06 -1.3887407E-06 -4.0148667E-07 3 4.5402463E+06 1.3457960E-04 -5.1920613E-05 2.4803022E-05 1.2357815E-05 -5.2813626E-06 -1.5270297E-06 4 1.5274308E+06 4.6378559E-04 -1.7919926E-04 8.5732235E-05 4.2640361E-05 -1.8237171E-05 -5.2722703E-06 5 5.4993612E+05 1.4410082E-03 -5.5735389E-04 2.6631298E-04 1.3274228E-04 -5.6724271E-05 -1.6401472E-05 6 2.0814431E+05 4.2160837E-03 -1.6371800E-03 7.8411290E-04 3.8993966E-04 -1.6680823E-04 -4.8222472E-05 7 8.2440756E+04 1.1549876E-02 -4.5089162E-03 2.1573615E-03 1.0761791E-03 -4.5984815E-04 -1.3296850E-04 8 3.3983756E+04 2.9644963E-02 -1.1731756E-02 5.6396002E-03 2.8054994E-03 -1.2006162E-03 -3.4708303E-04 9 1.4530572E+04 7.0125567E-02 -2.8427168E-02 1.3687777E-02 6.8438629E-03 -2.9247413E-03 -8.4580980E-04 10 6.4224005E+03 1.4755816E-01 -6.3061143E-02 3.0761502E-02 1.5340609E-02 -6.5730360E-03 -1.9002958E-03 11 2.9258352E+03 2.5690540E-01 -1.2086284E-01 5.9771162E-02 3.0142332E-02 -1.2894021E-02 -3.7303406E-03 12 1.3701824E+03 3.1820547E-01 -1.7735423E-01 9.1383528E-02 4.5987910E-02 -1.9795759E-02 -5.7242701E-03 13 6.5638428E+02 2.1448841E-01 -1.1150701E-01 5.5813937E-02 2.8991878E-02 -1.2319497E-02 -3.5712535E-03 14 3.0679875E+02 4.5953364E-02 2.4839742E-01 -1.8692777E-01 -1.0644602E-01 4.6456404E-02 1.3511203E-02 15 1.5414344E+02 -2.1361311E-03 5.6339314E-01 -5.6161085E-01 -3.2994216E-01 1.4813288E-01 4.3091936E-02 16 7.9209050E+01 1.6301004E-03 3.1769574E-01 -3.1212694E-01 -2.1352364E-01 9.6584827E-02 2.8345847E-02 17 3.8552732E+01 -9.5932131E-04 3.6000438E-02 6.9642521E-01 7.3589149E-01 -3.7279001E-01 -1.1115795E-01 18 2.0201660E+01 5.0837565E-04 -2.1899818E-03 6.4117507E-01 8.0905642E-01 -4.4724102E-01 -1.3455775E-01 19 9.0879346E+00 -2.4064075E-04 7.1114050E-04 7.7816195E-02 -7.3335719E-01 5.9383076E-01 1.8931168E-01 20 4.5842276E+00 1.1693156E-04 -4.3446115E-04 -5.6909880E-03 -7.9930389E-01 8.5284832E-01 2.9713553E-01 21 1.5729843E+00 -4.0951696E-05 1.5877687E-04 1.5962193E-03 -5.4121866E-02 -8.1091985E-01 -3.9698514E-01 22 7.1448088E-01 1.7999740E-05 -7.2544872E-05 -6.9920416E-04 8.6205417E-03 -6.3978521E-01 -3.8903360E-01 23 1.4976130E-01 -4.6819736E-06 2.6195259E-05 1.3371844E-04 -1.6717946E-03 -2.5661866E-02 6.0128443E-01 24 5.3281355E-02 2.0354058E-06 -1.5063499E-05 -4.1744054E-05 6.4672100E-04 3.9083338E-03 6.0334646E-01 2p 3p 4p 5p 6p 1 6.5881210E+06 9.9343582E-07 -5.1028049E-07 2.5265660E-07 -9.9263158E-08 2.2686796E-08 2 1.0079345E+06 1.0453754E-05 -5.3764252E-06 2.6527729E-06 -1.0472781E-06 2.3872372E-07 3 2.1029597E+05 8.2310872E-05 -4.2525366E-05 2.1097905E-05 -8.2843167E-06 1.8943595E-06 4 5.2983105E+04 5.6143687E-04 -2.9075609E-04 1.4368216E-04 -5.6747823E-05 1.2935542E-05 5 1.5512343E+04 3.2819607E-03 -1.7108791E-03 8.5037015E-04 -3.3416753E-04 7.6404292E-05 6 5.1816740E+03 1.5828723E-02 -8.3246153E-03 4.1296540E-03 -1.6318973E-03 3.7208157E-04 7 1.9381775E+03 6.1038342E-02 -3.2847375E-02 1.6452378E-02 -6.4757584E-03 1.4809889E-03 8 7.9388170E+02 1.7839279E-01 -9.9880834E-02 5.0282543E-02 -1.9949916E-02 4.5490501E-03 9 3.4777294E+02 3.5410613E-01 -2.1093464E-01 1.0864403E-01 -4.2918319E-02 9.8344271E-03 10 1.5991737E+02 3.7779437E-01 -2.0485481E-01 1.0005173E-01 -3.9969274E-02 9.0464210E-03 11 7.5149019E+01 1.4359994E-01 2.0001164E-01 -1.5966029E-01 7.1258014E-02 -1.6265245E-02 12 3.6989883E+01 4.0797169E-03 6.0450361E-01 -5.0437177E-01 2.1731973E-01 -5.0821233E-02 13 1.8421215E+01 -6.1329782E-04 3.1203746E-01 -5.9761263E-02 1.0015146E-02 -4.5888822E-04 14 8.7800722E+00 -3.2781259E-03 2.9436709E-02 6.9432455E-01 -4.5697355E-01 1.0876113E-01 15 4.2047231E+00 -1.7393883E-03 8.4734352E-04 4.5037368E-01 -2.2895926E-01 5.7630149E-02 16 1.6273802E+00 -1.9601045E-03 -5.8767996E-05 3.5156627E-02 6.6294263E-01 -2.1574793E-01 17 6.5253058E-01 -1.7747459E-03 8.4992772E-05 -2.6152065E-03 5.2957934E-01 -1.4431825E-01 18 1.4122897E-01 -1.7832541E-03 5.4269979E-05 2.3121459E-04 3.9738195E-02 4.9601772E-01 19 4.2416794E-02 -9.7226177E-04 4.2361181E-05 -3.5282000E-04 -7.2649516E-03 6.3867162E-01 3d 4d 5d 1 4.3204431E+03 8.0939148E-04 -4.1628442E-04 1.2192298E-04 2 1.1655830E+03 8.7047451E-03 -4.5062751E-03 1.3041441E-03 3 4.2446935E+02 4.9064328E-02 -2.5722411E-02 7.5441120E-03 4 1.7817827E+02 1.7228731E-01 -9.2260125E-02 2.6850930E-02 5 8.1012871E+01 3.6545450E-01 -1.9510558E-01 5.7647083E-02 6 3.8494116E+01 4.1162811E-01 -1.7416393E-01 4.6462768E-02 7 1.8420578E+01 1.7726974E-01 2.0116277E-01 -7.5581078E-02 8 8.6789413E+00 1.7004895E-02 5.4947881E-01 -2.0511939E-01 9 3.9779097E+00 1.1235351E-03 3.6137362E-01 -5.1178717E-02 10 1.5525294E+00 -3.8202696E-04 4.8996913E-02 3.8997221E-01 11 5.8693406E-01 4.6098839E-05 -2.4428056E-03 5.3768217E-01 12 1.9109985E-01 -8.1700683E-05 1.1010695E-03 2.8788487E-01 4f 1 3.7657261E+02 2.6423576E-03 2 1.2787104E+02 2.2448564E-02 3 5.3348074E+01 9.3409919E-02 4 2.4269039E+01 2.3709651E-01 5 1.1386468E+01 3.6725955E-01 6 5.2840079E+00 3.6543706E-01 7 2.3378116E+00 2.0869813E-01 8 9.0639763E-01 4.7452989E-02 Foldy-Wouthuysen functions -------------------------- 1s 2s 3s 4s 5s 6s 1 5.8652322E+07 5.1495771E-04 -2.0227765E-04 9.6870873E-05 4.8282880E-05 -2.0641102E-05 -5.9688925E-06 2 1.4650918E+07 1.1996990E-03 -4.7213363E-04 2.2624650E-04 1.1263062E-04 -4.8159557E-05 -1.3921947E-05 3 4.5402463E+06 2.3731565E-03 -9.3539184E-04 4.4810542E-04 2.2351090E-04 -9.5545815E-05 -2.7633741E-05 4 1.5274308E+06 4.4411327E-03 -1.7585057E-03 8.4364501E-04 4.1985322E-04 -1.7955559E-04 -5.1899561E-05 5 5.4993612E+05 8.1765288E-03 -3.2554772E-03 1.5619976E-03 7.7971380E-04 -3.3331254E-04 -9.6412951E-05 6 2.0814431E+05 1.5004456E-02 -6.0371797E-03 2.9054146E-03 1.4461706E-03 -6.1866253E-04 -1.7879815E-04 7 8.2440756E+04 2.7801690E-02 -1.1333333E-02 5.4610429E-03 2.7293210E-03 -1.1666268E-03 -3.3744555E-04 8 3.3983756E+04 5.2184654E-02 -2.1743021E-02 1.0535857E-02 5.2510715E-03 -2.2491219E-03 -6.5018834E-04 9 1.4530572E+04 9.7804591E-02 -4.2028476E-02 2.0437208E-02 1.0242506E-02 -4.3785819E-03 -1.2665191E-03 10 6.4224005E+03 1.7486604E-01 -7.9657850E-02 3.9221893E-02 1.9585466E-02 -8.3952892E-03 -2.4269589E-03 11 2.9258352E+03 2.7264972E-01 -1.3716434E-01 6.8585419E-02 3.4699891E-02 -1.4853480E-02 -4.2977886E-03 12 1.3701824E+03 3.1316667E-01 -1.8704292E-01 9.7319723E-02 4.9050483E-02 -2.1125593E-02 -6.1090049E-03 13 6.5638428E+02 1.9981400E-01 -1.0748155E-01 5.3550747E-02 2.7887270E-02 -1.1842651E-02 -3.4347217E-03 14 3.0679875E+02 4.0273201E-02 2.5909968E-01 -1.9689709E-01 -1.1233401E-01 4.9059006E-02 1.4269988E-02 15 1.5414344E+02 -2.5356999E-03 5.6369207E-01 -5.6861009E-01 -3.3485615E-01 1.5044628E-01 4.3770572E-02 16 7.9209050E+01 1.4238413E-03 3.1345420E-01 -3.0841094E-01 -2.1126274E-01 9.5521397E-02 2.8033164E-02 17 3.8552732E+01 -9.2616117E-04 3.4936377E-02 6.9981226E-01 7.4125199E-01 -3.7569845E-01 -1.1203261E-01 18 2.0201660E+01 4.5995509E-04 -2.1414071E-03 6.3906437E-01 8.0783544E-01 -4.4670590E-01 -1.3440329E-01 19 9.0879346E+00 -2.2558421E-04 6.1482044E-04 7.7565983E-02 -7.3440643E-01 5.9505201E-01 1.8972793E-01 20 4.5842276E+00 1.0293683E-04 -3.7036360E-04 -5.8375510E-03 -7.9882601E-01 8.5269503E-01 2.9709146E-01 21 1.5729843E+00 -3.6535169E-05 1.1081068E-04 1.6872210E-03 -5.3987323E-02 -8.1113126E-01 -3.9711704E-01 22 7.1448088E-01 1.5253082E-05 -4.3049274E-05 -7.5823587E-04 8.5885533E-03 -6.3966532E-01 -3.8899725E-01 23 1.4976130E-01 -3.8720182E-06 1.0967447E-05 1.6065098E-04 -1.6624743E-03 -2.5670153E-02 6.0128831E-01 24 5.3281355E-02 1.4624418E-06 -4.5902232E-06 -6.0512642E-05 6.4030778E-04 3.9178750E-03 6.0334579E-01 2p 3p 4p 5p 6p 1 6.5881210E+06 5.0978589E-05 -2.5929866E-05 1.2831262E-05 -5.0383178E-06 1.1520574E-06 2 1.0079345E+06 1.8364703E-04 -9.3632721E-05 4.6085682E-05 -1.8187564E-05 4.1435669E-06 3 2.1029597E+05 6.0847700E-04 -3.1188972E-04 1.5466908E-04 -6.0721498E-05 1.3890024E-05 4 5.2983105E+04 1.9746694E-03 -1.0185505E-03 5.0270180E-04 -1.9849926E-04 4.5231771E-05 5 1.5512343E+04 6.6242145E-03 -3.4512540E-03 1.7164329E-03 -6.7451366E-04 1.5425952E-04 6 5.1816740E+03 2.2621464E-02 -1.1934593E-02 5.9242927E-03 -2.3416679E-03 5.3385228E-04 7 1.9381775E+03 7.2549195E-02 -3.9241132E-02 1.9681942E-02 -7.7485902E-03 1.7722660E-03 8 7.9388170E+02 1.9316572E-01 -1.0876568E-01 5.4826912E-02 -2.1760222E-02 4.9618412E-03 9 3.4777294E+02 3.6584144E-01 -2.1902517E-01 1.1295544E-01 -4.4631139E-02 1.0227572E-02 10 1.5991737E+02 3.8176649E-01 -2.0687422E-01 1.0091244E-01 -4.0312367E-02 9.1225837E-03 11 7.5149019E+01 1.4551421E-01 2.0283130E-01 -1.6219684E-01 7.2409705E-02 -1.6529856E-02 12 3.6989883E+01 6.7847243E-03 6.0511660E-01 -5.0591436E-01 2.1804105E-01 -5.0993196E-02 13 1.8421215E+01 2.0848682E-03 3.1101351E-01 -5.8391401E-02 9.3183152E-03 -2.9035682E-04 14 8.7800722E+00 -1.1674537E-03 2.9244788E-02 6.9504013E-01 -4.5757650E-01 1.0890861E-01 15 4.2047231E+00 4.6471293E-04 7.3882190E-04 4.5050602E-01 -2.2892827E-01 5.7619460E-02 16 1.6273802E+00 -1.7236502E-04 -1.1835307E-04 3.5415032E-02 6.6298250E-01 -2.1577908E-01 17 6.5253058E-01 6.5064651E-05 1.0771987E-05 -2.3079891E-03 5.2948883E-01 -1.4429498E-01 18 1.4122897E-01 -1.5538941E-05 -1.1836021E-05 5.2592900E-04 3.9686808E-02 4.9604027E-01 19 4.2416794E-02 5.6754545E-06 4.1998269E-06 -1.9017657E-04 -7.2940367E-03 6.3868093E-01 3d 4d 5d 1 4.3204431E+03 1.2201830E-03 -6.2736868E-04 1.8365247E-04 2 1.1655830E+03 1.0092223E-02 -5.2293808E-03 1.5138530E-03 3 4.2446935E+02 5.2247610E-02 -2.7420164E-02 8.0430819E-03 4 1.7817827E+02 1.7696875E-01 -9.4862466E-02 2.7613476E-02 5 8.1012871E+01 3.6944575E-01 -1.9735481E-01 5.8318021E-02 6 3.8494116E+01 4.1306102E-01 -1.7459666E-01 4.6551097E-02 7 1.8420578E+01 1.7755343E-01 2.0203932E-01 -7.5908998E-02 8 8.6789413E+00 1.7323651E-02 5.4992990E-01 -2.0532276E-01 9 3.9779097E+00 1.3496432E-03 3.6141505E-01 -5.1127220E-02 10 1.5525294E+00 -2.4205442E-04 4.9042186E-02 3.9006178E-01 11 5.8693406E-01 1.0659069E-04 -2.4092845E-03 5.3770540E-01 12 1.9109985E-01 -4.0161688E-05 1.1217104E-03 2.8789413E-01 4f 1 3.7657261E+02 2.8407128E-03 2 1.2787104E+02 2.3024694E-02 3 5.3348074E+01 9.4403800E-02 4 2.4269039E+01 2.3812098E-01 5 1.1386468E+01 3.6790020E-01 6 5.2840079E+00 3.6567970E-01 7 2.3378116E+00 2.0875841E-01 8 9.0639763E-01 4.7472338E-02 ** Au 197 ** Large component functions ------------------------- 1s 2s 3s 4s 5s 6s 1 5.8664187E+07 2.0642058E-04 -8.0182244E-05 3.8400302E-05 1.9183200E-05 -8.2874980E-06 -2.3991971E-06 2 1.4720572E+07 5.1885294E-04 -2.0235399E-04 9.6992958E-05 4.8446868E-05 -2.0933587E-05 -6.0601126E-06 3 4.5865597E+06 1.1376886E-03 -4.4579635E-04 2.1377797E-04 1.0684694E-04 -4.6160551E-05 -1.3363602E-05 4 1.5507653E+06 2.3512912E-03 -9.2854211E-04 4.4602691E-04 2.2285369E-04 -9.6313009E-05 -2.7882110E-05 5 5.6081263E+05 4.8333480E-03 -1.9271513E-03 9.2657217E-04 4.6353057E-04 -2.0026658E-04 -5.7980190E-05 6 2.1301016E+05 9.9193006E-03 -4.0087477E-03 1.9331933E-03 9.6643568E-04 -4.1782990E-04 -1.2096134E-04 7 8.4602211E+04 2.0484588E-02 -8.4094289E-03 4.0608318E-03 2.0347197E-03 -8.7914406E-04 -2.5454444E-04 8 3.4947195E+04 4.2204174E-02 -1.7715449E-02 8.5996055E-03 4.3028656E-03 -1.8614978E-03 -5.3891369E-04 9 1.4965097E+04 8.4987880E-02 -3.6775115E-02 1.7905383E-02 8.9982018E-03 -3.8884426E-03 -1.1260015E-03 10 6.6213398E+03 1.5982002E-01 -7.3083179E-02 3.6037782E-02 1.8077302E-02 -7.8314820E-03 -2.2674340E-03 11 3.0184745E+03 2.5848936E-01 -1.2989917E-01 6.4907289E-02 3.2898590E-02 -1.4228155E-02 -4.1217325E-03 12 1.4141054E+03 3.0630494E-01 -1.8086984E-01 9.3922846E-02 4.7498548E-02 -2.0674359E-02 -5.9872986E-03 13 6.7762261E+02 2.0209303E-01 -1.0685708E-01 5.2783325E-02 2.7436782E-02 -1.1749406E-02 -3.4088138E-03 14 3.1720597E+02 4.3185428E-02 2.5324167E-01 -1.9374464E-01 -1.1097694E-01 4.8976579E-02 1.4261807E-02 15 1.5940692E+02 -1.8920392E-03 5.5944677E-01 -5.6380694E-01 -3.3321851E-01 1.5141100E-01 4.4128108E-02 16 8.1961409E+01 1.4903506E-03 3.1496960E-01 -3.0992130E-01 -2.1231753E-01 9.6893770E-02 2.8460663E-02 17 3.9956972E+01 -8.7915166E-04 3.5676179E-02 6.9555151E-01 7.4057041E-01 -3.7973594E-01 -1.1344549E-01 18 2.0956115E+01 4.6345977E-04 -2.0108665E-03 6.4059745E-01 8.1203745E-01 -4.5549869E-01 -1.3752659E-01 19 9.4495196E+00 -2.1974433E-04 5.9767710E-04 7.8821290E-02 -7.3154160E-01 6.0448563E-01 1.9391962E-01 20 4.7925528E+00 1.0710292E-04 -3.6070444E-04 -6.0112482E-03 -8.0247800E-01 8.6852722E-01 3.0393791E-01 21 1.6676150E+00 -3.6678613E-05 1.1434931E-04 1.7044796E-03 -5.4943127E-02 -8.2208211E-01 -4.0780808E-01 22 7.5692833E-01 1.5463013E-05 -4.2388432E-05 -7.5536528E-04 8.3935387E-03 -6.4091404E-01 -3.8320551E-01 23 1.5885822E-01 -3.6515143E-06 1.0441579E-05 1.5930096E-04 -1.6096397E-03 -2.5462557E-02 5.9828405E-01 24 5.5868536E-02 1.4083143E-06 -4.1434157E-06 -5.9503074E-05 6.1402696E-04 3.8238528E-03 6.0579920E-01 2p 3p 4p 5p 6p 1 7.0985104E+06 5.2461811E-05 -2.6941542E-05 1.3367961E-05 -5.3321705E-06 1.2005104E-06 2 1.0944914E+06 1.7793068E-04 -9.1460643E-05 4.5375715E-05 -1.8107018E-05 4.0758699E-06 3 2.2901997E+05 5.4798046E-04 -2.8238487E-04 1.4028282E-04 -5.5941653E-05 1.2598284E-05 4 5.7698796E+04 1.7074941E-03 -8.8418904E-04 4.3914060E-04 -1.7543078E-04 3.9475509E-05 5 1.6848384E+04 5.7382535E-03 -2.9981179E-03 1.4954924E-03 -5.9624489E-04 1.3435905E-04 6 5.6027159E+03 2.0117517E-02 -1.0642371E-02 5.3079396E-03 -2.1247704E-03 4.7794516E-04 7 2.0854106E+03 6.6382037E-02 -3.5941397E-02 1.8094936E-02 -7.2221429E-03 1.6286044E-03 8 8.5048504E+02 1.8180728E-01 -1.0235833E-01 5.1781606E-02 -2.0819658E-02 4.6826322E-03 9 3.7130000E+02 3.5536366E-01 -2.1223657E-01 1.0981376E-01 -4.3980536E-02 9.9373986E-03 10 1.7034396E+02 3.8652688E-01 -2.1405696E-01 1.0563443E-01 -4.2766298E-02 9.5554978E-03 11 8.0106328E+01 1.5664502E-01 1.7716238E-01 -1.4490673E-01 6.5913422E-02 -1.4843281E-02 12 3.9356918E+01 8.9813324E-03 6.0113446E-01 -5.0450672E-01 2.2078109E-01 -5.0921997E-02 13 1.9627095E+01 2.0788092E-03 3.3049271E-01 -9.0938643E-02 2.5621397E-02 -4.0880851E-03 14 9.3052186E+00 -1.1641163E-03 3.4097535E-02 6.8882243E-01 -4.6143768E-01 1.0867471E-01 15 4.4613014E+00 4.7043503E-04 3.2514383E-04 4.6764496E-01 -2.4740717E-01 6.1187347E-02 16 1.7288859E+00 -1.7466080E-04 6.7611932E-06 3.7887212E-02 6.6813869E-01 -2.1567711E-01 17 6.9341948E-01 6.6306929E-05 -3.8576521E-05 -2.4783453E-03 5.3117816E-01 -1.4031459E-01 18 1.4873693E-01 -1.5544113E-05 -9.0903896E-07 5.6547839E-04 3.8874661E-02 4.9055060E-01 19 4.4006584E-02 5.6383557E-06 1.9514337E-07 -2.0221888E-04 -7.1614482E-03 6.4450558E-01 3d 4d 5d 1 4.5125751E+03 1.1278550E-03 -5.8458483E-04 1.7620394E-04 2 1.2141256E+03 9.6414130E-03 -5.0330242E-03 1.5031842E-03 3 4.4143259E+02 5.0778586E-02 -2.6841122E-02 8.1169166E-03 4 1.8513506E+02 1.7403208E-01 -9.3956256E-02 2.8209261E-02 5 8.4154434E+01 3.6676638E-01 -1.9738267E-01 6.0138806E-02 6 3.9999228E+01 4.1348243E-01 -1.7681624E-01 4.8651545E-02 7 1.9161103E+01 1.7960647E-01 2.0000640E-01 -7.8198669E-02 8 9.0468653E+00 1.7807628E-02 5.5077445E-01 -2.1321047E-01 9 4.1716391E+00 1.3494331E-03 3.6049531E-01 -5.1680638E-02 10 1.6509286E+00 -2.5333212E-04 4.8855939E-02 3.9949698E-01 11 6.2979913E-01 1.1093081E-04 -2.2565466E-03 5.3565400E-01 12 2.0689506E-01 -4.0160365E-05 1.0180895E-03 2.7803783E-01 4f 1 4.0044189E+02 2.6664722E-03 2 1.3596020E+02 2.1992327E-02 3 5.6818820E+01 9.1538744E-02 4 2.5905814E+01 2.3430331E-01 5 1.2204304E+01 3.6706427E-01 6 5.6984252E+00 3.6784899E-01 7 2.5425388E+00 2.0879433E-01 8 9.9485802E-01 4.6545880E-02 Pseudo-large component functions -------------------------------- 1s 2s 3s 4s 5s 6s 1 5.8664187E+07 5.3086299E-06 -2.0561515E-06 9.8392047E-07 4.9171561E-07 -2.1237622E-07 -6.1483730E-08 2 1.4720572E+07 3.6914625E-05 -1.4306034E-05 6.8522963E-06 3.4202173E-06 -1.4780741E-06 -4.2787424E-07 3 4.5865597E+06 1.3914805E-04 -5.3935716E-05 2.5809214E-05 1.2901249E-05 -5.5716789E-06 -1.6130456E-06 4 1.5507653E+06 4.7602169E-04 -1.8479093E-04 8.8555184E-05 4.4189964E-05 -1.9100116E-05 -5.5290227E-06 5 5.6081263E+05 1.4687237E-03 -5.7076512E-04 2.7318427E-04 1.3661330E-04 -5.8992641E-05 -1.7079251E-05 6 2.1301016E+05 4.2725522E-03 -1.6669331E-03 7.9970256E-04 3.9900885E-04 -1.7249809E-04 -4.9933384E-05 7 8.4602211E+04 1.1645148E-02 -4.5676238E-03 2.1891857E-03 1.0956310E-03 -4.7307946E-04 -1.3696922E-04 8 3.4947195E+04 2.9762706E-02 -1.1832605E-02 5.6976113E-03 2.8437650E-03 -1.2299236E-03 -3.5602949E-04 9 1.4965097E+04 7.0151254E-02 -2.8562422E-02 1.3776216E-02 6.9106103E-03 -2.9842438E-03 -8.6411289E-04 10 6.6213398E+03 1.4721065E-01 -6.3143614E-02 3.0850914E-02 1.5436327E-02 -6.6846043E-03 -1.9351653E-03 11 3.0184745E+03 2.5590376E-01 -1.2065632E-01 5.9757605E-02 3.0232893E-02 -1.3067743E-02 -3.7853276E-03 12 1.4141054E+03 3.1711833E-01 -1.7645867E-01 9.1004866E-02 4.5944798E-02 -1.9991090E-02 -5.7889825E-03 13 6.7762261E+02 2.1455647E-01 -1.1017173E-01 5.4970112E-02 2.8615643E-02 -1.2271270E-02 -3.5604274E-03 14 3.1720597E+02 4.6458282E-02 2.4806438E-01 -1.8735305E-01 -1.0709386E-01 4.7225242E-02 1.3751094E-02 15 1.5940692E+02 -2.0704625E-03 5.6202917E-01 -5.6072102E-01 -3.3074438E-01 1.5022040E-01 4.3777265E-02 16 8.1961409E+01 1.6248760E-03 3.1806281E-01 -3.1234579E-01 -2.1411023E-01 9.7757680E-02 2.8715864E-02 17 3.9956972E+01 -9.6009417E-04 3.6325211E-02 6.9438466E-01 7.3757958E-01 -3.7799891E-01 -1.1291933E-01 18 2.0956115E+01 5.1113151E-04 -2.2024896E-03 6.4252794E-01 8.1310158E-01 -4.5603435E-01 -1.3768372E-01 19 9.4495196E+00 -2.4455790E-04 7.2561427E-04 7.8825498E-02 -7.3126982E-01 6.0382863E-01 1.9368132E-01 20 4.7925528E+00 1.2004484E-04 -4.4440529E-04 -5.8847891E-03 -8.0290893E-01 8.6866505E-01 3.0398318E-01 21 1.6676150E+00 -4.2078965E-05 1.6248706E-04 1.6250122E-03 -5.5012727E-02 -8.2201429E-01 -4.0773568E-01 22 7.5692833E-01 1.8255928E-05 -7.3016963E-05 -7.0324232E-04 8.4203080E-03 -6.4101114E-01 -3.8323221E-01 23 1.5885822E-01 -4.7144659E-06 2.6027187E-05 1.3187281E-04 -1.6213524E-03 -2.5449490E-02 5.9828702E-01 24 5.5868536E-02 2.0473547E-06 -1.4885003E-05 -4.0360995E-05 6.2175119E-04 3.8138425E-03 6.0579872E-01 2p 3p 4p 5p 6p 1 7.0985104E+06 9.5732834E-07 -4.9279952E-07 2.4507462E-07 -9.7581454E-08 2.1993610E-08 2 1.0944914E+06 9.9444656E-06 -5.1279364E-06 2.5404549E-06 -1.0163362E-06 2.2847744E-07 3 2.2901997E+05 7.7362815E-05 -4.0052718E-05 1.9960224E-05 -7.9432457E-06 1.7912147E-06 4 5.7698796E+04 5.2356837E-04 -2.7187372E-04 1.3489575E-04 -5.3991270E-05 1.2137411E-05 5 1.6848384E+04 3.0586760E-03 -1.5978302E-03 7.9773029E-04 -3.1770407E-04 7.1635036E-05 6 5.6027159E+03 1.4831507E-02 -7.8180135E-03 3.8938756E-03 -1.5593185E-03 3.5063016E-04 7 2.0854106E+03 5.7746929E-02 -3.1106612E-02 1.5646239E-02 -6.2413367E-03 1.4076153E-03 8 8.5048504E+02 1.7116851E-01 -9.5877364E-02 4.8439336E-02 -1.9473822E-02 4.3793935E-03 9 3.7130000E+02 3.4710337E-01 -2.0653053E-01 1.0678707E-01 -4.2757646E-02 9.6613863E-03 10 1.7034396E+02 3.8317333E-01 -2.1239717E-01 1.0493965E-01 -4.2499281E-02 9.4961304E-03 11 8.0106328E+01 1.5406485E-01 1.7590622E-01 -1.4339969E-01 6.5204941E-02 -1.4681045E-02 12 3.9356918E+01 6.0354969E-03 6.0133155E-01 -5.0377554E-01 2.2040420E-01 -5.0833722E-02 13 1.9627095E+01 -7.3025659E-04 3.3131262E-01 -9.1844553E-02 2.6116562E-02 -4.2054233E-03 14 9.3052186E+00 -3.3735002E-03 3.4244182E-02 6.8837629E-01 -4.6103521E-01 1.0857576E-01 15 4.4613014E+00 -1.7991443E-03 4.1961070E-04 4.6747195E-01 -2.4738443E-01 6.1187007E-02 16 1.7288859E+00 -2.0294871E-03 7.0281482E-05 3.7594620E-02 6.6816498E-01 -2.1566734E-01 17 6.9341948E-01 -1.8430577E-03 3.5584519E-05 -2.7992417E-03 5.3126620E-01 -1.4033583E-01 18 1.4873693E-01 -1.8628137E-03 6.6375057E-05 2.5571499E-04 3.8926580E-02 4.9053085E-01 19 4.4006584E-02 -1.0054287E-03 3.8833172E-05 -3.7155012E-04 -7.1314506E-03 6.4449595E-01 3d 4d 5d 1 4.5125751E+03 7.9099396E-04 -4.0974640E-04 1.2373009E-04 2 1.2141256E+03 8.5435098E-03 -4.4552857E-03 1.3296466E-03 3 4.4143259E+02 4.8371256E-02 -2.5540538E-02 7.7237161E-03 4 1.8513506E+02 1.7067388E-01 -9.2065368E-02 2.7635229E-02 5 8.4154434E+01 3.6400238E-01 -1.9581572E-01 5.9660477E-02 6 3.9999228E+01 4.1243851E-01 -1.7652835E-01 4.8593704E-02 7 1.9161103E+01 1.7921543E-01 1.9948652E-01 -7.7979952E-02 8 9.0468653E+00 1.7451331E-02 5.5051228E-01 -2.1308213E-01 9 4.1716391E+00 1.1129845E-03 3.6044997E-01 -5.1713873E-02 10 1.6509286E+00 -3.9824044E-04 4.8797205E-02 3.9943772E-01 11 6.2979913E-01 4.6629073E-05 -2.2921595E-03 5.3563716E-01 12 2.0689506E-01 -8.4151935E-05 9.9601133E-04 2.7802755E-01 4f 1 4.0044189E+02 2.5113692E-03 2 1.3596020E+02 2.1562542E-02 3 5.6818820E+01 9.0810620E-02 4 2.5905814E+01 2.3356966E-01 5 1.2204304E+01 3.6659185E-01 6 5.6984252E+00 3.6766069E-01 7 2.5425388E+00 2.0873598E-01 8 9.9485802E-01 4.6522879E-02 Foldy-Wouthuysen functions -------------------------- 1s 2s 3s 4s 5s 6s 1 5.8664187E+07 5.4562626E-04 -2.1533377E-04 1.0329840E-04 5.1654600E-05 -2.2315395E-05 -6.4614211E-06 2 1.4720572E+07 1.2642766E-03 -4.9989579E-04 2.3994889E-04 1.1984791E-04 -5.1788278E-05 -1.4990539E-05 3 4.5865597E+06 2.4856524E-03 -9.8439677E-04 4.7239257E-04 2.3639277E-04 -1.0211588E-04 -2.9572136E-05 4 1.5507653E+06 4.6233123E-03 -1.8394197E-03 8.8393353E-04 4.4136638E-04 -1.9075906E-04 -5.5210210E-05 5 5.6081263E+05 8.4625039E-03 -3.3858298E-03 1.6273690E-03 8.1500036E-04 -3.5205678E-04 -1.0196636E-04 6 2.1301016E+05 1.5434118E-02 -6.2412220E-03 3.0086716E-03 1.5025685E-03 -6.4962564E-04 -1.8799529E-04 7 8.4602211E+04 2.8409997E-02 -1.1642234E-02 5.6199413E-03 2.8179761E-03 -1.2171600E-03 -3.5251303E-04 8 3.4947195E+04 5.2950762E-02 -2.2182642E-02 1.0767944E-02 5.3847532E-03 -2.3309500E-03 -6.7474592E-04 9 1.4965097E+04 9.8555004E-02 -4.2587080E-02 2.0748038E-02 1.0432822E-02 -4.5067354E-03 -1.3052481E-03 10 6.6213398E+03 1.7516977E-01 -8.0205893E-02 3.9564000E-02 1.9823383E-02 -8.5882102E-03 -2.4861053E-03 11 3.0184745E+03 2.7201696E-01 -1.3736870E-01 6.8807449E-02 3.4926816E-02 -1.5106804E-02 -4.3765789E-03 12 1.4141054E+03 3.1200839E-01 -1.8634544E-01 9.7066497E-02 4.9082877E-02 -2.1368814E-02 -6.1881320E-03 13 6.7762261E+02 1.9953457E-01 -1.0602157E-01 5.2613875E-02 2.7456629E-02 -1.1764505E-02 -3.4150561E-03 14 3.1720597E+02 4.0579613E-02 2.5905246E-01 -1.9762653E-01 -1.1318570E-01 4.9946661E-02 1.4545567E-02 15 1.5940692E+02 -2.4886827E-03 5.6236296E-01 -5.6794391E-01 -3.3583701E-01 1.5264731E-01 4.4490796E-02 16 8.1961409E+01 1.4097049E-03 3.1368592E-01 -3.0851583E-01 -2.1176564E-01 9.6639791E-02 2.8386196E-02 17 3.9956972E+01 -9.2480898E-04 3.5222074E-02 6.9789703E-01 7.4315372E-01 -3.8106045E-01 -1.1384193E-01 18 2.0956115E+01 4.6009246E-04 -2.1552505E-03 6.4034815E-01 8.1184033E-01 -4.5547944E-01 -1.3752420E-01 19 9.4495196E+00 -2.2820655E-04 6.2712548E-04 7.8561353E-02 -7.3237653E-01 6.0513635E-01 1.9413032E-01 20 4.7925528E+00 1.0504173E-04 -3.7862829E-04 -6.0378921E-03 -8.0240726E-01 8.6849659E-01 3.0393335E-01 21 1.6676150E+00 -3.7285520E-05 1.1339755E-04 1.7195657E-03 -5.4869641E-02 -8.2223931E-01 -4.0787762E-01 22 7.5692833E-01 1.5316691E-05 -4.3307992E-05 -7.6373201E-04 8.3870548E-03 -6.4088376E-01 -3.8319277E-01 23 1.5885822E-01 -3.8451255E-06 1.0899350E-05 1.5899853E-04 -1.6118674E-03 -2.5457821E-02 5.9829102E-01 24 5.5868536E-02 1.4356903E-06 -4.5326044E-06 -5.9167518E-05 6.1531901E-04 3.8235564E-03 6.0579808E-01 2p 3p 4p 5p 6p 1 7.0985104E+06 5.0534414E-05 -2.5761164E-05 1.2803102E-05 -5.0950745E-06 1.1489001E-06 2 1.0944914E+06 1.8146876E-04 -9.2754839E-05 4.5843458E-05 -1.8333116E-05 4.1191610E-06 3 2.2901997E+05 5.9742273E-04 -3.0686591E-04 1.5284229E-04 -6.0814946E-05 1.3718638E-05 4 5.7698796E+04 1.9218845E-03 -9.9370189E-04 4.9244606E-04 -1.9704426E-04 4.4281177E-05 5 1.6848384E+04 6.3796677E-03 -3.3303941E-03 1.6636041E-03 -6.6257490E-04 1.4943145E-04 6 5.6027159E+03 2.1625633E-02 -1.1433977E-02 5.6985725E-03 -2.2825470E-03 5.1319911E-04 7 2.0854106E+03 6.9366294E-02 -3.7559210E-02 1.8918226E-02 -7.5483107E-03 1.7025593E-03 8 8.5048504E+02 1.8632048E-01 -1.0497057E-01 5.3105209E-02 -2.1356962E-02 4.8028998E-03 9 3.7130000E+02 3.5948835E-01 -2.1502239E-01 1.1132556E-01 -4.4585207E-02 1.0074999E-02 10 1.7034396E+02 3.8754857E-01 -2.1480622E-01 1.0602703E-01 -4.2940554E-02 9.5934183E-03 11 8.0106328E+01 1.5597677E-01 1.7876993E-01 -1.4596114E-01 6.6383092E-02 -1.4948147E-02 12 3.9356918E+01 8.8156705E-03 6.0213101E-01 -5.0553144E-01 2.2123735E-01 -5.1029256E-02 13 1.9627095E+01 2.0579088E-03 3.3023446E-01 -9.0456027E-02 2.5403897E-02 -4.0353955E-03 14 9.3052186E+00 -1.1613276E-03 3.4029525E-02 6.8917067E-01 -4.6170444E-01 1.0873780E-01 15 4.4613014E+00 4.6757099E-04 3.0814343E-04 4.6760195E-01 -2.4735096E-01 6.1175313E-02 16 1.7288859E+00 -1.7406715E-04 1.1387123E-05 3.7861513E-02 6.6821041E-01 -2.1570112E-01 17 6.9341948E-01 6.5972244E-05 -4.0341192E-05 -2.4780588E-03 5.3117064E-01 -1.4031125E-01 18 1.4873693E-01 -1.5442654E-05 -6.9517953E-07 5.6568981E-04 3.8872927E-02 4.9055419E-01 19 4.4006584E-02 5.5979574E-06 1.1793735E-07 -2.0227480E-04 -7.1615013E-03 6.4450563E-01 3d 4d 5d 1 4.5125751E+03 1.2078801E-03 -6.2550784E-04 1.8878373E-04 2 1.2141256E+03 9.9582459E-03 -5.1979440E-03 1.5517555E-03 3 4.4143259E+02 5.1630071E-02 -2.7290951E-02 8.2541936E-03 4 1.8513506E+02 1.7549509E-01 -9.4764799E-02 2.8451167E-02 5 8.4154434E+01 3.6813984E-01 -1.9816559E-01 6.0383419E-02 6 3.9999228E+01 4.1393646E-01 -1.7699149E-01 4.8692036E-02 7 1.9161103E+01 1.7950785E-01 2.0040106E-01 -7.8335144E-02 8 9.0468653E+00 1.7780276E-02 5.5098598E-01 -2.1330386E-01 9 4.1716391E+00 1.3458890E-03 3.6049055E-01 -5.1655458E-02 10 1.6509286E+00 -2.5251228E-04 4.8844179E-02 3.9953497E-01 11 6.2979913E-01 1.1059827E-04 -2.2565476E-03 5.3566164E-01 12 2.0689506E-01 -4.0086036E-05 1.0180744E-03 2.7803756E-01 4f 1 4.0044189E+02 2.7110436E-03 2 1.3596020E+02 2.2150963E-02 3 5.6818820E+01 9.1842164E-02 4 2.5905814E+01 2.3465322E-01 5 1.2204304E+01 3.6728094E-01 6 5.6984252E+00 3.6792357E-01 7 2.5425388E+00 2.0880000E-01 8 9.9485802E-01 4.6544344E-02 ** Hg 202 ** Large component functions ------------------------- 1s 2s 3s 4s 5s 6s 1 5.8178997E+07 2.2027859E-04 -8.5972658E-05 4.1241549E-05 2.0670188E-05 -9.0403090E-06 -2.6097615E-06 2 1.4671086E+07 5.5027460E-04 -2.1564379E-04 1.0353481E-04 5.1884791E-05 -2.2696489E-05 -6.5518832E-06 3 4.5987699E+06 1.1976642E-03 -4.7159014E-04 2.2652757E-04 1.1359141E-04 -4.9680929E-05 -1.4342347E-05 4 1.5638363E+06 2.4562950E-03 -9.7482899E-04 4.6905229E-04 2.3513284E-04 -1.0287818E-04 -2.9698321E-05 5 5.6847167E+05 5.0120061E-03 -2.0085494E-03 9.6737656E-04 4.8553817E-04 -2.1236712E-04 -6.1311401E-05 6 2.1683185E+05 1.0207923E-02 -4.1470166E-03 2.0033540E-03 1.0048443E-03 -4.3982267E-04 -1.2696616E-04 7 8.6414344E+04 2.0921391E-02 -8.6357733E-03 4.1776831E-03 2.1001952E-03 -9.1864094E-04 -2.6524131E-04 8 3.5790482E+04 4.2788712E-02 -1.8062529E-02 8.7840409E-03 4.4099378E-03 -1.9315361E-03 -5.5758906E-04 9 1.5357346E+04 8.5587486E-02 -3.7248270E-02 1.8170139E-02 9.1616079E-03 -4.0078799E-03 -1.1574055E-03 10 6.8051420E+03 1.6003327E-01 -7.3574715E-02 3.6346333E-02 1.8293918E-02 -8.0242866E-03 -2.3165201E-03 11 3.1056427E+03 2.5773532E-01 -1.3005760E-01 6.5100102E-02 3.3105159E-02 -1.4493214E-02 -4.1873514E-03 12 1.4560617E+03 3.0476684E-01 -1.8000677E-01 9.3575722E-02 4.7477267E-02 -2.0926454E-02 -6.0418959E-03 13 6.9819485E+02 2.0129511E-01 -1.0486356E-01 5.1530504E-02 2.6835159E-02 -1.1613118E-02 -3.3633147E-03 14 3.2744874E+02 4.3347662E-02 2.5388613E-01 -1.9505088E-01 -1.1215621E-01 5.0105968E-02 1.4562318E-02 15 1.6461981E+02 -1.8129123E-03 5.5792934E-01 -5.6315582E-01 -3.3423906E-01 1.5392750E-01 4.4729122E-02 16 8.4707033E+01 1.4704954E-03 3.1452140E-01 -3.0896869E-01 -2.1210849E-01 9.7870562E-02 2.8727477E-02 17 4.1386921E+01 -8.7128410E-04 3.5841446E-02 6.9373451E-01 7.4257683E-01 -3.8594245E-01 -1.1522388E-01 18 2.1730052E+01 4.6105482E-04 -1.9943758E-03 6.4147049E-01 8.1579444E-01 -4.6516088E-01 -1.4019755E-01 19 9.8278809E+00 -2.2102897E-04 6.0120591E-04 7.9903507E-02 -7.2843045E-01 6.1488085E-01 1.9736772E-01 20 5.0128287E+00 1.0893975E-04 -3.6548871E-04 -6.2146152E-03 -8.0673661E-01 8.8734678E-01 3.1207649E-01 21 1.7709752E+00 -3.7545514E-05 1.1682678E-04 1.7535511E-03 -5.6475804E-02 -8.2857061E-01 -4.1666625E-01 22 8.0948729E-01 1.5653832E-05 -4.2742667E-05 -7.6936322E-04 8.3756202E-03 -6.4909198E-01 -3.8403797E-01 23 1.6947503E-01 -3.5999394E-06 1.0313680E-05 1.5663600E-04 -1.5793488E-03 -2.3806758E-02 6.1126415E-01 24 5.9051400E-02 1.3770670E-06 -3.9915406E-06 -5.9178256E-05 5.7728594E-04 5.4623917E-03 5.9560383E-01 2p 3p 4p 5p 6p 1 7.6614343E+06 5.1953178E-05 -2.6742863E-05 1.3325109E-05 -5.3940882E-06 1.1342435E-06 2 1.1929781E+06 1.7560903E-04 -9.0481316E-05 4.5076871E-05 -1.8254681E-05 3.8380262E-06 3 2.5067510E+05 5.3655059E-04 -2.7709964E-04 1.3823572E-04 -5.5946863E-05 1.1766245E-05 4 6.3209396E+04 1.6512884E-03 -8.5702835E-04 4.2739018E-04 -1.7325880E-04 3.6420344E-05 5 1.8419904E+04 5.4713938E-03 -2.8638796E-03 1.4345756E-03 -5.8051859E-04 1.2214083E-04 6 6.0994912E+03 1.9013334E-02 -1.0079152E-02 5.0468389E-03 -2.0499997E-03 4.3085044E-04 7 2.2592616E+03 6.2774750E-02 -3.4014467E-02 1.7195396E-02 -6.9659648E-03 1.4664320E-03 8 9.1732636E+02 1.7370319E-01 -9.7825936E-02 4.9658797E-02 -2.0257526E-02 4.2579279E-03 9 3.9911507E+02 3.4694040E-01 -2.0685998E-01 1.0743002E-01 -4.3678378E-02 9.2086508E-03 10 1.8271270E+02 3.9215602E-01 -2.2227530E-01 1.1098874E-01 -4.5600505E-02 9.5492250E-03 11 8.6047921E+01 1.6977979E-01 1.4771390E-01 -1.2482469E-01 5.8027990E-02 -1.2263332E-02 12 4.2147571E+01 1.2054178E-02 5.9531828E-01 -5.0136089E-01 2.2323145E-01 -4.7913400E-02 13 2.1033467E+01 1.9511042E-03 3.5454970E-01 -1.2966572E-01 4.5274529E-02 -8.4591678E-03 14 9.8978664E+00 -1.1039945E-03 4.0454214E-02 6.7930087E-01 -4.6313659E-01 1.0270140E-01 15 4.7470223E+00 4.4949560E-04 -2.6290479E-04 4.8880530E-01 -2.7125894E-01 6.1392179E-02 16 1.8371903E+00 -1.6789832E-04 1.8960106E-04 4.1136299E-02 6.7626588E-01 -2.0047902E-01 17 7.3672682E-01 6.4310768E-05 -1.0602449E-04 -2.8132665E-03 5.3196736E-01 -1.3757525E-01 18 1.5655732E-01 -1.4818054E-05 1.4764657E-05 6.1516186E-04 3.6140236E-02 4.5702240E-01 19 4.5570543E-02 5.3284227E-06 -5.3405534E-06 -2.2032050E-04 -6.5953623E-03 6.7576166E-01 3d 4d 5d 1 4.7996895E+03 1.0782785E-03 -5.6268791E-04 1.7628279E-04 2 1.2866869E+03 9.1960057E-03 -4.8363659E-03 1.5024765E-03 3 4.6688020E+02 4.8692963E-02 -2.5906448E-02 8.1433659E-03 4 1.9562606E+02 1.6849529E-01 -9.1626074E-02 2.8620369E-02 5 8.8941981E+01 3.6058043E-01 -1.9558868E-01 6.1940223E-02 6 4.2314837E+01 4.1627479E-01 -1.8355806E-01 5.3027181E-02 7 2.0345150E+01 1.8822840E-01 1.8422148E-01 -7.6486538E-02 8 9.6395942E+00 2.0334637E-02 5.4809927E-01 -2.2159642E-01 9 4.4735943E+00 1.2940052E-03 3.7190968E-01 -6.3954874E-02 10 1.8024177E+00 -2.1429195E-04 5.2980879E-02 4.0020227E-01 11 7.0170513E-01 1.0878054E-04 -2.6180118E-03 5.3952799E-01 12 2.3668973E-01 -3.2972949E-05 8.7216609E-04 2.6937878E-01 4f 1 4.2415582E+02 2.5603376E-03 2 1.4398270E+02 2.1272231E-02 3 6.0252985E+01 8.9448717E-02 4 2.7523100E+01 2.3154128E-01 5 1.3010708E+01 3.6681719E-01 6 6.1067293E+00 3.6975864E-01 7 2.7448652E+00 2.0828972E-01 8 1.0847115E+00 4.5101616E-02 Pseudo-large component functions -------------------------------- 1s 2s 3s 4s 5s 6s 1 5.8178997E+07 5.6176327E-06 -2.1861276E-06 1.0478527E-06 5.2537584E-07 -2.2971649E-07 -6.6317701E-08 2 1.4671086E+07 3.8841571E-05 -1.5123763E-05 7.2557889E-06 3.6335634E-06 -1.5897210E-06 -4.5888457E-07 3 4.5987699E+06 1.4498669E-04 -5.6465878E-05 2.7064845E-05 1.3573122E-05 -5.9341730E-06 -1.7131977E-06 4 1.5638363E+06 4.9193816E-04 -1.9187638E-04 9.2101273E-05 4.6111210E-05 -2.0177653E-05 -5.8242525E-06 5 5.6847167E+05 1.5058856E-03 -5.8801112E-04 2.8190921E-04 1.4143751E-04 -6.1828758E-05 -1.7850635E-05 6 2.1683185E+05 4.3520788E-03 -1.7060818E-03 8.1983142E-04 4.1040474E-04 -1.7962721E-04 -5.1847813E-05 7 8.6414344E+04 1.1792402E-02 -4.6476416E-03 2.2312972E-03 1.1203595E-03 -4.8971444E-04 -1.4139400E-04 8 3.5790482E+04 2.9988638E-02 -1.1978711E-02 5.7774903E-03 2.8932014E-03 -1.2668646E-03 -3.6566400E-04 9 1.5357346E+04 7.0374556E-02 -2.8783858E-02 1.3906508E-02 6.9987819E-03 -3.0594839E-03 -8.8347834E-04 10 6.8051420E+03 1.4714891E-01 -6.3365600E-02 3.1008850E-02 1.5566996E-02 -6.8253183E-03 -1.9701356E-03 11 3.1056427E+03 2.5512656E-01 -1.2060059E-01 5.9821258E-02 3.0363258E-02 -1.3284795E-02 -3.8379773E-03 12 1.4560617E+03 3.1585388E-01 -1.7553744E-01 9.0614504E-02 4.5895174E-02 -2.0221883E-02 -5.8379762E-03 13 6.9819485E+02 2.1408543E-01 -1.0830023E-01 5.3815787E-02 2.8073574E-02 -1.2168589E-02 -3.5242334E-03 14 3.2744874E+02 4.6735576E-02 2.4858040E-01 -1.8846616E-01 -1.0813798E-01 4.8270204E-02 1.4028236E-02 15 1.6461981E+02 -1.9908405E-03 5.6057804E-01 -5.5997631E-01 -3.3167898E-01 1.5267842E-01 4.4361878E-02 16 8.4707033E+01 1.6083231E-03 3.1771714E-01 -3.1148026E-01 -2.1397662E-01 9.8784060E-02 2.8996700E-02 17 4.1386921E+01 -9.5486652E-04 3.6509663E-02 6.9252917E-01 7.3947180E-01 -3.8411191E-01 -1.1466970E-01 18 2.1730052E+01 5.1066601E-04 -2.1886870E-03 6.4346442E-01 8.1689606E-01 -4.6572165E-01 -1.4036170E-01 19 9.8278809E+00 -2.4727426E-04 7.3205780E-04 7.9912682E-02 -7.2813513E-01 6.1417246E-01 1.9710982E-01 20 5.0128287E+00 1.2284571E-04 -4.5180494E-04 -6.0836828E-03 -8.0719162E-01 8.8749891E-01 3.1212664E-01 21 1.7709752E+00 -4.3423340E-05 1.6645045E-04 1.6711111E-03 -5.6549519E-02 -8.2849798E-01 -4.1658744E-01 22 8.0948729E-01 1.8679225E-05 -7.3900866E-05 -7.1596801E-04 8.4031655E-03 -6.4919605E-01 -3.8406656E-01 23 1.6947503E-01 -4.7379074E-06 2.5800625E-05 1.2916203E-04 -1.5910884E-03 -2.3793645E-02 6.1126716E-01 24 5.9051400E-02 2.0633485E-06 -1.4627079E-05 -4.0065255E-05 5.8499296E-04 5.4523151E-03 5.9560349E-01 2p 3p 4p 5p 6p 1 7.6614343E+06 9.1827402E-07 -4.7366570E-07 2.3658741E-07 -9.5612735E-08 2.0118895E-08 2 1.1929781E+06 9.4023746E-06 -4.8613948E-06 2.4179250E-06 -9.8154087E-07 2.0619798E-07 3 2.5067510E+05 7.2157979E-05 -3.7430037E-05 1.8736326E-05 -7.5681621E-06 1.5930421E-06 4 6.3209396E+04 4.8377350E-04 -2.5189645E-04 1.2547482E-04 -5.0960499E-05 1.0705608E-05 5 1.8419904E+04 2.8212233E-03 -1.4766254E-03 7.4048876E-04 -2.9932907E-04 6.3003934E-05 6 6.0994912E+03 1.3748835E-02 -7.2638665E-03 3.6319052E-03 -1.4758311E-03 3.1010136E-04 7 2.2592616E+03 5.4075456E-02 -2.9148835E-02 1.4722329E-02 -5.9607446E-03 1.2549153E-03 8 9.1732636E+02 1.6278426E-01 -9.1197013E-02 4.6230028E-02 -1.8856635E-02 3.9630915E-03 9 3.9911507E+02 3.3819162E-01 -2.0084799E-01 1.0423058E-01 -4.2366311E-02 8.9321407E-03 10 1.8271270E+02 3.8851760E-01 -2.2031835E-01 1.1011538E-01 -4.5254730E-02 9.4770341E-03 11 8.6047921E+01 1.6718878E-01 1.4644466E-01 -1.2331315E-01 5.7307159E-02 -1.2108980E-02 12 4.2147571E+01 9.0076709E-03 5.9540044E-01 -5.0048139E-01 2.2277478E-01 -4.7813946E-02 13 2.1033467E+01 -9.6048273E-04 3.5543484E-01 -1.3058961E-01 4.5783018E-02 -8.5712874E-03 14 9.8978664E+00 -3.4292336E-03 4.0617616E-02 6.7880051E-01 -4.6268631E-01 1.0259766E-01 15 4.7470223E+00 -1.8857753E-03 -1.6664491E-04 4.8863575E-01 -2.7123639E-01 6.1392314E-02 16 1.8371903E+00 -2.1008675E-03 2.5286869E-04 4.0831461E-02 6.7629210E-01 -2.0046909E-01 17 7.3672682E-01 -1.9131517E-03 -3.0271606E-05 -3.1481000E-03 5.3206041E-01 -1.3759581E-01 18 1.5655732E-01 -1.9467396E-03 8.2945031E-05 2.8919904E-04 3.6194451E-02 4.5700284E-01 19 4.5570543E-02 -1.0391986E-03 3.3886453E-05 -3.9644565E-04 -6.5642697E-03 6.7575212E-01 3d 4d 5d 1 4.7996895E+03 7.4432655E-04 -3.8814576E-04 1.2181730E-04 2 1.2866869E+03 8.0974820E-03 -4.2543093E-03 1.3206745E-03 3 4.6688020E+02 4.6260871E-02 -2.4584195E-02 7.7277183E-03 4 1.9562606E+02 1.6505157E-01 -8.9674565E-02 2.8004150E-02 5 8.8941981E+01 3.5768862E-01 -1.9393465E-01 6.1414942E-02 6 4.2314837E+01 4.1515001E-01 -1.8321492E-01 5.2949820E-02 7 2.0345150E+01 1.8782585E-01 1.8368445E-01 -7.6249413E-02 8 9.6395942E+00 1.9962232E-02 5.4781240E-01 -2.2144994E-01 9 4.4735943E+00 1.0475960E-03 3.7186321E-01 -6.3989716E-02 10 1.8024177E+00 -3.6762958E-04 5.2920206E-02 4.0013617E-01 11 7.0170513E-01 4.0560376E-05 -2.6563531E-03 5.3950964E-01 12 2.3668973E-01 -8.1392670E-05 8.4783425E-04 2.6936725E-01 4f 1 4.2415582E+02 2.4035461E-03 2 1.4398270E+02 2.0831789E-02 3 6.0252985E+01 8.8692208E-02 4 2.7523100E+01 2.3076681E-01 5 1.3010708E+01 3.6631254E-01 6 6.1067293E+00 3.6955673E-01 7 2.7448652E+00 2.0822800E-01 8 1.0847115E+00 4.5076322E-02 Foldy-Wouthuysen functions -------------------------- 1s 2s 3s 4s 5s 6s 1 5.8178997E+07 5.8054118E-04 -2.3020001E-04 1.1061346E-04 5.5492772E-05 -2.4269719E-05 -7.0076668E-06 2 1.4671086E+07 1.3375717E-03 -5.3139473E-04 2.5548437E-04 1.2802970E-04 -5.6009426E-05 -1.6165870E-05 3 4.5987699E+06 2.6126879E-03 -1.0396873E-03 4.9976792E-04 2.5090554E-04 -1.0972187E-04 -3.1687340E-05 4 1.5638363E+06 4.8281048E-03 -1.9302330E-03 9.2909176E-04 4.6545492E-04 -2.0366776E-04 -5.8775053E-05 5 5.6847167E+05 8.7835755E-03 -3.5317695E-03 1.7004269E-03 8.5436884E-04 -3.7360853E-04 -1.0791413E-04 6 2.1683185E+05 1.5918353E-02 -6.4699338E-03 3.1241095E-03 1.5654237E-03 -6.8521942E-04 -1.9771603E-04 7 8.6414344E+04 2.9104770E-02 -1.1990986E-02 5.7985674E-03 2.9171039E-03 -1.2754807E-03 -3.6840445E-04 8 3.5790482E+04 5.3854370E-02 -2.2687392E-02 1.1032301E-02 5.5354641E-03 -2.4260419E-03 -7.0021694E-04 9 1.5357346E+04 9.9513725E-02 -4.3249146E-02 2.1110415E-02 1.0650286E-02 -4.6572778E-03 -1.3452226E-03 10 6.8051420E+03 1.7573359E-01 -8.0900147E-02 3.9979693E-02 2.0099868E-02 -8.8169623E-03 -2.5448181E-03 11 3.1056427E+03 2.7154478E-01 -1.3770985E-01 6.9101582E-02 3.5191909E-02 -1.5408016E-02 -4.4521204E-03 12 1.4560617E+03 3.1061900E-01 -1.8558502E-01 9.6781626E-02 4.9099010E-02 -2.1646679E-02 -6.2493352E-03 13 6.9819485E+02 1.9872589E-01 -1.0399149E-01 5.1341326E-02 2.6845679E-02 -1.1623749E-02 -3.3687041E-03 14 3.2744874E+02 4.0676648E-02 2.5984935E-01 -1.9905513E-01 -1.1444337E-01 5.1122374E-02 1.4859224E-02 15 1.6461981E+02 -2.4276500E-03 5.6092687E-01 -5.6740642E-01 -3.3694251E-01 1.5522245E-01 4.5107840E-02 16 8.4707033E+01 1.3848848E-03 3.1320733E-01 -3.0752781E-01 -2.1153966E-01 9.7603931E-02 2.8649891E-02 17 4.1386921E+01 -9.1776463E-04 3.5369039E-02 6.9616340E-01 7.4526084E-01 -3.8733705E-01 -1.1564115E-01 18 2.1730052E+01 4.5708494E-04 -2.1427730E-03 6.4121575E-01 8.1559490E-01 -4.6514598E-01 -1.4019662E-01 19 9.8278809E+00 -2.2957483E-04 6.3108245E-04 7.9633551E-02 -7.2930306E-01 6.1557459E-01 1.9759256E-01 20 5.0128287E+00 1.0675772E-04 -3.8406524E-04 -6.2436699E-03 -8.0666559E-01 8.8731563E-01 3.1207244E-01 21 1.7709752E+00 -3.8173392E-05 1.1578150E-04 1.7698560E-03 -5.6396686E-02 -8.2874083E-01 -4.1674229E-01 22 8.0948729E-01 1.5494413E-05 -4.3701695E-05 -7.7830456E-04 8.3685272E-03 -6.4905950E-01 -3.8402381E-01 23 1.6947503E-01 -3.7995787E-06 1.0783345E-05 1.5633617E-04 -1.5816377E-03 -2.3801459E-02 6.1127169E-01 24 5.9051400E-02 1.4044990E-06 -4.3904483E-06 -5.8832698E-05 5.7864626E-04 5.4619786E-03 5.9560258E-01 2p 3p 4p 5p 6p 1 7.6614343E+06 4.9890405E-05 -2.5487559E-05 1.2721246E-05 -5.1386608E-06 1.0815980E-06 2 1.1929781E+06 1.7853922E-04 -9.1487468E-05 4.5401927E-05 -1.8422029E-05 3.8685869E-06 3 2.5067510E+05 5.8352670E-04 -3.0032545E-04 1.5022761E-04 -6.0676508E-05 1.2774722E-05 4 6.3209396E+04 1.8593992E-03 -9.6368239E-04 4.7948254E-04 -1.9466685E-04 4.0885589E-05 5 1.8419904E+04 6.1013387E-03 -3.1908508E-03 1.6008021E-03 -6.4715470E-04 1.3623698E-04 6 6.0994912E+03 2.0506420E-02 -1.0865121E-02 5.4361404E-03 -2.2094073E-03 4.6421126E-04 7 2.2592616E+03 6.5749367E-02 -3.5627599E-02 1.8019928E-02 -7.2978140E-03 1.5365374E-03 8 9.1732636E+02 1.7828344E-01 -1.0047275E-01 5.1003711E-02 -2.0810978E-02 4.3739125E-03 9 3.9911507E+02 3.5128422E-01 -2.0976230E-01 1.0900650E-01 -4.4318670E-02 9.3442748E-03 10 1.8271270E+02 3.9339201E-01 -2.2321441E-01 1.1148893E-01 -4.5822032E-02 9.5951473E-03 11 8.6047921E+01 1.6909506E-01 1.4931367E-01 -1.2586287E-01 5.8496038E-02 -1.2361548E-02 12 4.2147571E+01 1.1862032E-02 5.9644103E-01 -5.0249642E-01 2.2374647E-01 -4.8025426E-02 13 2.1033467E+01 1.9253842E-03 3.5430182E-01 -1.2920153E-01 4.5063670E-02 -8.4121905E-03 14 9.8978664E+00 -1.1002315E-03 4.0372568E-02 6.7969045E-01 -4.6343341E-01 1.0276780E-01 15 4.7470223E+00 4.4616791E-04 -2.8131122E-04 4.8876357E-01 -2.7120304E-01 6.1380470E-02 16 1.8371903E+00 -1.6724903E-04 1.9477927E-04 4.1107443E-02 6.7634512E-01 -2.0050303E-01 17 7.3672682E-01 6.3945161E-05 -1.0800864E-04 -2.8127496E-03 5.3195869E-01 -1.3757216E-01 18 1.5655732E-01 -1.4706809E-05 1.5003778E-05 6.1535573E-04 3.6138483E-02 4.5702595E-01 19 4.5570543E-02 5.2842154E-06 -5.4239306E-06 -2.2037222E-04 -6.5954402E-03 6.7576182E-01 3d 4d 5d 1 4.7996895E+03 1.1576873E-03 -6.0353673E-04 1.8931138E-04 2 1.2866869E+03 9.5114558E-03 -5.0018958E-03 1.5532406E-03 3 4.6688020E+02 4.9548074E-02 -2.6360806E-02 8.2873933E-03 4 1.9562606E+02 1.6998603E-01 -9.2455774E-02 2.8878797E-02 5 8.8941981E+01 3.6201487E-01 -1.9641095E-01 6.2206924E-02 6 4.2314837E+01 4.1677660E-01 -1.8376792E-01 5.3080739E-02 7 2.0345150E+01 1.8813004E-01 1.8462700E-01 -7.6633594E-02 8 9.6395942E+00 2.0303524E-02 5.4833153E-01 -2.2170237E-01 9 4.4735943E+00 1.2899220E-03 3.7190719E-01 -6.3929292E-02 10 1.8024177E+00 -2.1335120E-04 5.2967383E-02 4.0024524E-01 11 7.0170513E-01 1.0839021E-04 -2.6180261E-03 5.3953653E-01 12 2.3668973E-01 -3.2885281E-05 8.7213644E-04 2.6937833E-01 4f 1 4.2415582E+02 2.6052145E-03 2 1.4398270E+02 2.1433761E-02 3 6.0252985E+01 8.9762777E-02 4 2.7523100E+01 2.3190989E-01 5 1.3010708E+01 3.6705000E-01 6 6.1067293E+00 3.6983942E-01 7 2.7448652E+00 2.0829543E-01 8 1.0847115E+00 4.5099855E-02 Exponents of valence correlating and dipole polarization functions ================================================================== f cor f pol Hf 3.8547549E-01 1.1195327E-01 Ta 4.7476634E-01 1.4059344E-01 W 5.6143065E-01 1.5925621E-01 Re 6.4713929E-01 1.9237380E-01 Os 7.3285164E-01 2.1776801E-01 Ir 8.1914535E-01 2.4625192E-01 Pt 9.0639763E-01 2.6863666E-01 Au 9.9485802E-01 3.0537602E-01 Hg 1.0847115E+00 3.4059395E-01 Exponents of 4f core correlating functions ========================================== g Hf 7.1448282E+00 Ta 7.7301267E+00 W 8.3273766E+00 Re 8.9360799E+00 Os 9.5561343E+00 Ir 1.0187605E+01 Pt 1.0830621E+01 Au 1.1485338E+01 Hg 1.2151916E+01