7s Block Double-Zeta Basis Set Archive ===================================== Date: 01 May 2012 When publishing work that uses these basis sets, please use the following citation: K.G. Dyall, J. Phys. Chem. A (2009) 113:12638. Available from the Dirac web site, http://dirac.chem.sdu.dk. For the 4f core correlating functions, please use the following citation: K.G. Dyall, Theor. Chem. Acc. (2012) 131, 1217. DOI: 10.1007/s00214-012-1217-8. Basis sets are available from the Dirac web site, http://dirac.chem.sdu.dk. This archive contains the exponents and the SCF orbital coefficients, given with respect to normalized (spherical or 2-spinor) Gaussian functions, for the basis sets described in the above articles. NOTE: Functions are counted from the function with the smallest exponent to the largest. The SCF exponent sets were generated as follows: * Optimization of the s, p, d, and f sets separately, on the total energy of the ground state * Optimization of 2 functions for the 7p of Fr followed by reoptimization of the functions for the 3p-6p outer antinodes with the 7p functions included and held fixed, on the total energy of the 7p1 configuration * Optimization of 2 functions for the 7p of Ra along with reoptimization of the functions for the 6p outer antinode, on the total energy of the 7p2 configuration * Addition of the 6p-correlating d function and reoptimization of the remainder. * Replacement of the outermost f function with the 5d-correlating f function and reoptimization of the remainder. In all the following descriptions, this is the set referred to as the SCF exponent set. The correlating functions were generated as follows * Functions for the 6s6p and 5d shells were optimized in SDCI calculations with excitations out of these shells coupled to J=0. Only the higher angular functions were included in the correlating space (1d and 1f). * The correlating d function for the 7s in Ra was optimized in MR-SDCI calculations with the 7s and 7p orbitals in the active space. The functions for 6p dipole polarization were generated as follows: * A polarizing s function was optimized on the polarizability of the 6p shell with 6p -> ns excitations in the perturbing space. The uncontracted SCF s function (see below) for the 6s was included and its exponent was held fixed. * The ratio of the dipole polarizing s exponent to the outer SCF s exponent for the 6s (3rd exponent) was applied to the outer p exponent for the 6p (3rd exponent) to generate a p function. * A polarizing d function was optimized on the polarizability of the 6p shell with 6p -> nd excitations in the perturbing space. The 6p correlating d function was included and its exponent was held fixed. The contractions are taken from SCF calculations on a weighted average of the 7s^n and 7p^n configurations, with a weight ratio of 4:1. The archive is set out as follows. 1. Exponents and SCF coefficients for Dirac-Hartree-Fock wave functions, in order of Z. The large component functions are given first, followed by the small component functions. Both components are labelled with the large component symmetry type, but the primitive functions for the small component are those obtained by restricted kinetic balance from the large component. The spin-orbit components have a "-" label for j=l-1/2 and a "+" label for j=l+1/2. 2. Exponents and SCF coefficients for spin-free modified Dirac-Hartree-Fock wave functions, in order of Z. The large component functions are given first, followed by the pseudo-large component functions, then the Foldy-Wouthuysen transformed large component functions. Note that all components have the same symmetry type. 3. Exponents of correlating functions, valence (d) and core (f). 4. Exponents of 6s6p dipole polarization functions Basis set construction. ---------------------- For the s elements, the outer core (n-1)s and (n-1)p must be included in the valence. For Ra, the valence np is considered an occupied orbital and is correlated; hence there is an extra correlating d function for Ra. Several different types of basis sets may be constructed by adding primitive functions to the SCF set. These basis sets are described below. NOTE: Functions are counted from the function with the smallest exponent to the largest. 1. Valence and outer core. To the SCF occupied set, add the following: 1st and 3rd s primitives from the SCF set 1st and 3rd p primitives from the SCF set 1st d primitive from the SCF set (correlating d for 6p) Valence correlating d function for Ra (HF + 2s2p1d/2d valence/outer core) 2. 5d correlation. To basis set 1, add the following: 5th s primitive from the SCF set 5th p primitive from the SCF set 3rd d primitive from the SCF set 1st f primitive from the SCF set (correlating f). (HF + 2s2p1d/2d valence/outer core + 1s1p1d1f core) 3. Outer core (6s6p) dipole polarization. To any of the above basis sets, add the s, p, and d polarizing functions. Dirac-Hartree-Fock basis sets ============================= ** Fr 223 ** Large component functions ------------------------- 1s+ 2s+ 3s+ 4s+ 5s+ 6s+ 7s+ 1 5.6963096E+07 3.3859020E-04 -1.3676860E-04 6.6314020E-05 3.3971921E-05 -1.6132617E-05 -6.5239337E-06 1.6161823E-06 2 1.4755889E+07 8.1317244E-04 -3.2993774E-04 1.6011989E-04 8.2026902E-05 -3.8957640E-05 -1.5754256E-05 3.9023615E-06 3 4.7962438E+06 1.6816562E-03 -6.8585391E-04 3.3305012E-04 1.7070423E-04 -8.1069371E-05 -3.2784879E-05 8.1224028E-06 4 1.6931776E+06 3.2648615E-03 -1.3427060E-03 6.5315762E-04 3.3474350E-04 -1.5901303E-04 -6.4305626E-05 1.5927381E-05 5 6.3800494E+05 6.3188117E-03 -2.6258614E-03 1.2788705E-03 6.5610225E-04 -3.1163161E-04 -1.2603199E-04 3.1227873E-05 6 2.5085475E+05 1.2186350E-02 -5.1379611E-03 2.5100954E-03 1.2874108E-03 -6.1177333E-04 -2.4741547E-04 6.1271751E-05 7 1.0253048E+05 2.3652974E-02 -1.0146517E-02 4.9660167E-03 2.5518574E-03 -1.2123216E-03 -4.9033803E-04 1.2152079E-04 8 4.3324751E+04 4.5881338E-02 -2.0144091E-02 9.9113195E-03 5.0896528E-03 -2.4200320E-03 -9.7879041E-04 2.4233098E-04 9 1.8883306E+04 8.7466527E-02 -3.9597581E-02 1.9549570E-02 1.0075018E-02 -4.7881746E-03 -1.9369422E-03 4.8022056E-04 10 8.4668678E+03 1.5734616E-01 -7.4914891E-02 3.7426405E-02 1.9272876E-02 -9.1754763E-03 -3.7116812E-03 9.1848716E-04 11 3.8974480E+03 2.4756582E-01 -1.2792341E-01 6.4672464E-02 3.3588668E-02 -1.5981301E-02 -6.4676175E-03 1.6049592E-03 12 1.8382356E+03 2.9370795E-01 -1.7216160E-01 8.9871017E-02 4.6619764E-02 -2.2280549E-02 -9.0170960E-03 2.2272807E-03 13 8.8536603E+02 2.0297435E-01 -9.9355090E-02 4.7567844E-02 2.4914270E-02 -1.1735377E-02 -4.7502695E-03 1.1929882E-03 14 4.2155307E+02 4.9536246E-02 2.3462382E-01 -1.8436134E-01 -1.0842988E-01 5.2942741E-02 2.1573943E-02 -5.3909181E-03 15 2.1290435E+02 -1.0002452E-03 5.4148551E-01 -5.4244777E-01 -3.3027458E-01 1.6515571E-01 6.7473457E-02 -1.6638281E-02 16 1.1005381E+02 1.4193772E-03 3.3471186E-01 -3.4076956E-01 -2.3400184E-01 1.1874091E-01 4.8872864E-02 -1.2339744E-02 17 5.3965406E+01 -8.7440924E-04 4.4293746E-02 6.4246701E-01 7.0144332E-01 -4.0234795E-01 -1.6983175E-01 4.2754786E-02 18 2.8566819E+01 4.9560911E-04 -2.8634482E-03 6.7725172E-01 8.9307619E-01 -5.5847462E-01 -2.4023693E-01 5.9202714E-02 19 1.3268951E+01 -2.6935549E-04 1.0774821E-03 9.9675517E-02 -6.4000207E-01 6.0445738E-01 2.8221898E-01 -6.9672926E-02 20 7.0040811E+00 1.5067950E-04 -6.4199561E-04 -8.5517608E-03 -8.8368707E-01 1.0988909E+00 5.6932621E-01 -1.4837680E-01 21 2.7630508E+00 -6.6496270E-05 2.6292370E-04 2.9263036E-03 -8.7411971E-02 -7.4180369E-01 -5.8046724E-01 1.6174953E-01 22 1.4215454E+00 3.3470038E-05 -1.2180357E-04 -1.4859987E-03 1.4075010E-02 -8.0618651E-01 -7.5811148E-01 2.0768351E-01 23 4.3735660E-01 -1.0361229E-05 3.7864379E-05 4.1869736E-04 -3.1702151E-03 -4.6016696E-02 7.9137704E-01 -2.7183952E-01 24 1.9008543E-01 4.5167763E-06 -1.6783525E-05 -1.7524874E-04 1.3274368E-03 8.9227236E-03 6.0363030E-01 -3.8497182E-01 25 3.0289608E-02 -1.2558698E-06 4.6186873E-06 4.9225848E-05 -3.4790561E-04 -1.9342218E-03 1.6901866E-02 7.2031173E-01 26 1.3992651E-02 6.6181914E-07 -2.4332138E-06 -2.5943077E-05 1.8266633E-04 1.0019488E-03 -5.8563266E-03 4.4178862E-01 2p- 3p- 4p- 5p- 6p- 7p- 1 2.2332924E+07 1.6555189E-04 -8.5139351E-05 4.3496842E-05 -1.9898782E-05 7.3145555E-06 -1.2038733E-06 2 4.4021223E+06 4.8710165E-04 -2.5054187E-04 1.2800317E-04 -5.8563389E-05 2.1526095E-05 -3.5429256E-06 3 1.0618564E+06 1.1632109E-03 -5.9856185E-04 3.0584418E-04 -1.3991345E-04 5.1432938E-05 -8.4650893E-06 4 2.9148845E+05 2.5727130E-03 -1.3249317E-03 6.7711435E-04 -3.0985024E-04 1.1388352E-04 -1.8744085E-05 5 8.8478251E+04 5.5506190E-03 -2.8651751E-03 1.4651487E-03 -6.7022597E-04 2.4642827E-04 -4.0557410E-05 6 2.9288618E+04 1.2084553E-02 -6.2656630E-03 3.2072937E-03 -1.4688950E-03 5.3976463E-04 -8.8844886E-05 7 1.0523575E+04 2.7236439E-02 -1.4263868E-02 7.3202167E-03 -3.3492136E-03 1.2322431E-03 -2.0279043E-04 8 4.0933375E+03 6.3277446E-02 -3.3673824E-02 1.7346525E-02 -7.9648514E-03 2.9256874E-03 -4.8163405E-04 9 1.7123975E+03 1.4229675E-01 -7.8044040E-02 4.0516471E-02 -1.8565671E-02 6.8407204E-03 -1.1256602E-03 10 7.6202584E+02 2.7278052E-01 -1.5542538E-01 8.1464887E-02 -3.7648654E-02 1.3821073E-02 -2.2759813E-03 11 3.5606311E+02 3.6909503E-01 -2.1371455E-01 1.1247056E-01 -5.1412674E-02 1.9026876E-02 -3.1290874E-03 12 1.7250288E+02 2.6192356E-01 -5.0363223E-02 5.4053995E-03 -9.4300225E-04 -1.2044478E-04 1.5032033E-05 13 8.4658182E+01 6.1772439E-02 4.0064562E-01 -3.2535575E-01 1.6936691E-01 -6.2913710E-02 1.0393726E-02 14 4.3252664E+01 1.3165059E-03 5.3281638E-01 -4.4526389E-01 2.2168322E-01 -8.4893311E-02 1.3953205E-02 15 2.1991958E+01 3.9167820E-04 1.7204094E-01 2.3225420E-01 -1.8095200E-01 7.7472825E-02 -1.2771301E-02 16 1.1085626E+01 -2.5113285E-04 7.4516220E-03 7.1729194E-01 -6.0413454E-01 2.4231756E-01 -4.0467489E-02 17 5.6191807E+00 7.0252412E-05 1.4301445E-03 2.7491382E-01 -1.1339712E-02 -4.7154016E-03 1.4089073E-03 18 2.5991449E+00 -2.3150895E-05 -5.8471393E-04 1.5198894E-02 7.8380287E-01 -4.9559945E-01 8.4527202E-02 19 1.2092092E+00 1.2956385E-05 1.7841260E-04 -2.4764128E-04 3.7754774E-01 -1.0395578E-01 1.7503484E-02 20 4.1867130E-01 -3.4319881E-06 -6.4117360E-05 6.1237016E-05 1.8727764E-02 7.2723064E-01 -1.4996533E-01 21 1.5867990E-01 1.2526378E-06 2.3372191E-05 -3.7241305E-05 -1.3678617E-03 4.2976040E-01 -1.1638878E-01 22 2.6432483E-02 -3.4252213E-07 -6.4300019E-06 1.0347100E-05 2.8704152E-04 1.4090352E-02 6.0921577E-01 23 1.0851686E-02 1.7345794E-07 3.2445583E-06 -5.0765535E-06 -1.4747662E-04 -4.2106378E-03 4.7717287E-01 2p+ 3p+ 4p+ 5p+ 6p+ 7p+ 1 2.2332924E+07 4.9627187E-07 -2.6589791E-07 1.3706917E-07 -6.1698554E-08 2.1499679E-08 -3.9517909E-09 2 4.4021223E+06 3.0584723E-06 -1.6354692E-06 8.4083079E-07 -3.8224978E-07 1.3266393E-07 -2.4243506E-08 3 1.0618564E+06 1.6684118E-05 -8.9602533E-06 4.6199076E-06 -2.0833859E-06 7.2550766E-07 -1.3322256E-07 4 2.9148845E+05 8.3638604E-05 -4.4935280E-05 2.3135611E-05 -1.0507002E-05 3.6486520E-06 -6.6727233E-07 5 8.8478251E+04 3.9840761E-04 -2.1517493E-04 1.1107582E-04 -5.0152182E-05 1.7459567E-05 -3.2043980E-06 6 2.9288618E+04 1.8041824E-03 -9.7710451E-04 5.0414592E-04 -2.2890972E-04 7.9519999E-05 -1.4548659E-05 7 1.0523575E+04 7.5421044E-03 -4.1191706E-03 2.1320211E-03 -9.6375369E-04 3.3548975E-04 -6.1556389E-05 8 4.0933375E+03 2.7978338E-02 -1.5456180E-02 8.0148517E-03 -3.6427322E-03 1.2658433E-03 -2.3162941E-04 9 1.7123975E+03 8.7760135E-02 -4.9806925E-02 2.6030273E-02 -1.1793146E-02 4.1072676E-03 -7.5367957E-04 10 7.6202584E+02 2.1625017E-01 -1.2785052E-01 6.7459734E-02 -3.0815056E-02 1.0713976E-02 -1.9598156E-03 11 3.5606311E+02 3.6734184E-01 -2.2951715E-01 1.2315488E-01 -5.6012729E-02 1.9549345E-02 -3.5925226E-03 12 1.7250288E+02 3.3999617E-01 -1.6849434E-01 8.1357081E-02 -3.6917779E-02 1.2692925E-02 -2.2981469E-03 13 8.4658182E+01 1.1755841E-01 2.6347917E-01 -2.2122625E-01 1.1401878E-01 -4.0222939E-02 7.3122901E-03 14 4.3252664E+01 4.8353543E-03 5.8923530E-01 -5.1544241E-01 2.5924463E-01 -9.2813483E-02 1.7194175E-02 15 2.1991958E+01 1.6873499E-03 2.7599796E-01 5.9843488E-05 -2.9823363E-02 1.4568893E-02 -3.0491133E-03 16 1.1085626E+01 -1.0907025E-03 2.2634755E-02 7.0414778E-01 -5.6362632E-01 2.1452150E-01 -3.8929716E-02 17 5.6191807E+00 5.1693468E-04 2.0386156E-03 4.1798945E-01 -2.5874724E-01 9.9625531E-02 -1.9536487E-02 18 2.5991449E+00 -2.3372810E-04 -8.8468209E-04 3.9626482E-02 6.8439207E-01 -3.7840942E-01 7.3749652E-02 19 1.2092092E+00 1.0329252E-04 2.8327164E-04 -6.2764177E-04 5.4640128E-01 -2.8344634E-01 5.0365982E-02 20 4.1867130E-01 -3.3003494E-05 -1.0633798E-04 1.6961760E-04 4.8893103E-02 5.4450854E-01 -1.0712016E-01 21 1.5867990E-01 1.2032333E-05 3.9100916E-05 -7.2299139E-05 -4.8571231E-03 6.2815056E-01 -1.9866778E-01 22 2.6432483E-02 -3.3081660E-06 -1.0804586E-05 1.8856967E-05 1.1257286E-03 5.8644231E-02 4.4929178E-01 23 1.0851686E-02 1.6734306E-06 5.4533694E-06 -9.1986005E-06 -5.7215016E-04 -2.0966435E-02 6.3984795E-01 3d- 4d- 5d- 1 1.5475567E+04 4.3944713E-04 -2.3940380E-04 9.6694489E-05 2 3.8983314E+03 2.6120148E-03 -1.4268280E-03 5.7714775E-04 3 1.3583963E+03 1.2906161E-02 -7.1113877E-03 2.8784780E-03 4 5.5935643E+02 5.0775142E-02 -2.8259596E-02 1.1477844E-02 5 2.5426851E+02 1.5119119E-01 -8.5930125E-02 3.5004226E-02 6 1.2320603E+02 3.1171864E-01 -1.7667171E-01 7.2082787E-02 7 6.2057429E+01 3.9310872E-01 -1.9830009E-01 7.7915414E-02 8 3.1898116E+01 2.3908072E-01 5.7582405E-02 -4.6081349E-02 9 1.6241360E+01 5.2032065E-02 4.4776227E-01 -2.3838680E-01 10 8.2156309E+00 2.1158651E-03 4.6511890E-01 -2.1863687E-01 11 4.0362738E+00 3.6415247E-04 1.4532363E-01 2.1954619E-01 12 1.9309074E+00 -1.0834333E-04 6.8477769E-03 5.6393179E-01 13 8.7172848E-01 4.1682408E-05 6.6325616E-04 3.5845586E-01 14 3.4344862E-01 -8.9577199E-06 -2.6694133E-04 5.4634269E-02 3d+ 4d+ 5d+ 1 1.5475567E+04 1.1378520E-04 -6.2236350E-05 2.4923954E-05 2 3.8983314E+03 1.3407320E-03 -7.3284661E-04 2.9388736E-04 3 1.3583963E+03 9.1136079E-03 -5.0273683E-03 2.0175698E-03 4 5.5935643E+02 4.2113695E-02 -2.3439124E-02 9.4340860E-03 5 2.5426851E+02 1.3667876E-01 -7.7787811E-02 3.1422231E-02 6 1.2320603E+02 2.9869406E-01 -1.7032480E-01 6.8939606E-02 7 6.2057429E+01 3.9838368E-01 -2.0760828E-01 8.1763984E-02 8 3.1898116E+01 2.5812417E-01 2.5947635E-02 -3.0484578E-02 9 1.6241360E+01 6.0941333E-02 4.2614729E-01 -2.2497851E-01 10 8.2156309E+00 2.7363736E-03 4.8503123E-01 -2.3515828E-01 11 4.0362738E+00 4.7565956E-04 1.6565287E-01 1.7799552E-01 12 1.9309074E+00 -1.4421708E-04 9.1248224E-03 5.5730765E-01 13 8.7172848E-01 5.4295725E-05 8.5844200E-04 3.8926255E-01 14 3.4344862E-01 -1.2756439E-05 -3.0635319E-04 6.7311450E-02 4f- 1 6.4166416E+02 2.0019213E-03 2 2.1726779E+02 1.6430085E-02 3 9.1635026E+01 7.2798905E-02 4 4.2375982E+01 2.0330983E-01 5 2.0514028E+01 3.5283151E-01 6 9.9765878E+00 3.8252014E-01 7 4.7348711E+00 2.2522824E-01 8 2.0650807E+00 4.7516027E-02 4f+ 1 6.4166416E+02 1.6238514E-03 2 2.1726779E+02 1.4875449E-02 3 9.1635026E+01 6.9066556E-02 4 4.2375982E+01 1.9740973E-01 5 2.0514028E+01 3.4838615E-01 6 9.9765878E+00 3.8609027E-01 7 4.7348711E+00 2.3265522E-01 8 2.0650807E+00 5.1264841E-02 Small component functions ------------------------- 1s+ 2s+ 3s+ 4s+ 5s+ 6s+ 7s+ 1 5.6963096E+07 -3.8462274E-04 1.5488786E-04 -7.5040988E-05 -3.8450048E-05 1.8256469E-05 7.3828676E-06 -1.8293247E-06 2 1.4755889E+07 -1.3064780E-03 5.2632296E-04 -2.5518541E-04 -1.3064877E-04 6.2052076E-05 2.5092722E-05 -6.2143386E-06 3 4.7962438E+06 -2.6050935E-03 1.0500476E-03 -5.0873814E-04 -2.6072882E-04 1.2378977E-04 5.0060808E-05 -1.2405442E-05 4 1.6931776E+06 -4.9583686E-03 2.0013375E-03 -9.7087620E-04 -4.9697342E-04 2.3606723E-04 9.5460478E-05 -2.3637396E-05 5 6.3800494E+05 -8.7995112E-03 3.5569601E-03 -1.7238138E-03 -8.8379606E-04 4.1958634E-04 1.6968482E-04 -4.2055870E-05 6 2.5085475E+05 -1.5206013E-02 6.1690437E-03 -2.9961256E-03 -1.5335966E-03 7.2858972E-04 2.9462592E-04 -7.2941509E-05 7 1.0253048E+05 -2.5228488E-02 1.0291292E-02 -4.9946147E-03 -2.5625968E-03 1.2166051E-03 4.9202616E-04 -1.2197038E-04 8 4.3324751E+04 -4.0220792E-02 1.6607325E-02 -8.0948876E-03 -4.1453648E-03 1.9700990E-03 7.9668921E-04 -1.9719508E-04 9 1.8883306E+04 -6.0425945E-02 2.5499129E-02 -1.2450677E-02 -6.4017794E-03 3.0400371E-03 1.2296138E-03 -3.0491013E-04 10 8.4668678E+03 -8.2731616E-02 3.6519902E-02 -1.8044275E-02 -9.2641162E-03 4.4077524E-03 1.7827272E-03 -4.4107122E-04 11 3.8974480E+03 -9.6327200E-02 4.6098257E-02 -2.3056739E-02 -1.1946919E-02 5.6802317E-03 2.2984903E-03 -5.7043339E-04 12 1.8382356E+03 -8.2970022E-02 4.5246104E-02 -2.3427167E-02 -1.2128238E-02 5.7936042E-03 2.3444299E-03 -5.7904913E-04 13 8.8536603E+02 -4.1092340E-02 1.9437161E-02 -9.4620297E-03 -4.9742267E-03 2.3478981E-03 9.5066225E-04 -2.3851945E-04 14 4.2155307E+02 -7.0429394E-03 -2.9605123E-02 2.2898625E-02 1.3431240E-02 -6.5518203E-03 -2.6694963E-03 6.6724241E-04 15 2.1290435E+02 1.0542873E-04 -5.0177705E-02 4.9622850E-02 3.0135753E-02 -1.5060112E-02 -6.1517760E-03 1.5168873E-03 16 1.1005381E+02 -1.0553792E-04 -2.2470936E-02 2.2789471E-02 1.5660070E-02 -7.9497573E-03 -3.2723568E-03 8.2605025E-04 17 5.3965406E+01 4.5823741E-05 -2.0985109E-03 -2.9741900E-02 -3.2371137E-02 1.8554053E-02 7.8306683E-03 -1.9714142E-03 18 2.8566819E+01 -1.9229912E-05 1.0390928E-04 -2.2962156E-02 -3.0208959E-02 1.8886378E-02 8.1236790E-03 -2.0020064E-03 19 1.3268951E+01 7.2489773E-06 -2.8249729E-05 -2.2962200E-03 1.4719608E-02 -1.3887669E-02 -6.4823526E-03 1.6002244E-03 20 7.0040811E+00 -2.9909267E-06 1.2528539E-05 1.3980304E-04 1.4790758E-02 -1.8382757E-02 -9.5235784E-03 2.4819785E-03 21 2.7630508E+00 8.6211550E-07 -3.5217338E-06 -2.9202939E-05 9.1979434E-04 7.7904366E-03 6.0950529E-03 -1.6983819E-03 22 1.4215454E+00 -3.2451966E-07 1.2976736E-06 1.0396653E-05 -1.0648604E-04 6.0761623E-03 5.7129589E-03 -1.5650590E-03 23 4.3735660E-01 6.1874250E-08 -2.7371787E-07 -1.4958251E-06 1.3362870E-05 1.9222310E-04 -3.3075257E-03 1.1361026E-03 24 1.9008543E-01 -1.9863653E-08 9.6444377E-08 3.7030340E-07 -3.7049286E-06 -2.4530756E-05 -1.6632043E-03 1.0607172E-03 25 3.0289608E-02 3.1394471E-09 -1.8280383E-08 -2.3919263E-08 3.9462700E-07 2.1122450E-06 -1.8597257E-05 -7.9224879E-04 26 1.3992651E-02 -1.4351024E-09 9.0828234E-09 2.6733827E-09 -1.4307573E-07 -7.4056467E-07 4.3818678E-06 -3.3026559E-04 2p- 3p- 4p- 5p- 6p- 7p- 1 2.2332924E+07 -6.0400472E-05 3.1090005E-05 -1.5887649E-05 7.2649109E-06 -2.6714832E-06 4.3966278E-07 2 4.4021223E+06 -1.9410199E-04 9.9960618E-05 -5.1082921E-05 2.3388240E-05 -8.5929430E-06 1.4144014E-06 3 1.0618564E+06 -4.7971774E-04 2.4761207E-04 -1.2662406E-04 5.7887729E-05 -2.1293366E-05 3.5042296E-06 4 2.9148845E+05 -1.1022171E-03 5.7000710E-04 -2.9157330E-04 1.3359328E-04 -4.9068604E-05 8.0771958E-06 5 8.8478251E+04 -2.4581690E-03 1.2775630E-03 -6.5442899E-04 2.9915983E-04 -1.1008838E-04 1.8116256E-05 6 2.9288618E+04 -5.3825764E-03 2.8107142E-03 -1.4410662E-03 6.6094558E-04 -2.4271475E-04 3.9955831E-05 7 1.0523575E+04 -1.1392114E-02 6.0100048E-03 -3.0898846E-03 1.4131018E-03 -5.2026662E-04 8.5612343E-05 8 4.0933375E+03 -2.2554484E-02 1.2065260E-02 -6.2222460E-03 2.8596004E-03 -1.0499999E-03 1.7286710E-04 9 1.7123975E+03 -3.9511832E-02 2.1769575E-02 -1.1313563E-02 5.1832990E-03 -1.9104965E-03 3.1436362E-04 10 7.6202584E+02 -5.5722001E-02 3.1915744E-02 -1.6746478E-02 7.7435475E-03 -2.8422733E-03 4.6806856E-04 11 3.5606311E+02 -5.3861030E-02 3.1501142E-02 -1.6620218E-02 7.6004540E-03 -2.8136318E-03 4.6271061E-04 12 1.7250288E+02 -2.6583063E-02 5.1855242E-03 -5.8157338E-04 1.1532712E-04 6.4734906E-06 -5.4143108E-07 13 8.4658182E+01 -3.6831005E-03 -3.0031457E-02 2.4274345E-02 -1.2626193E-02 4.6892703E-03 -7.7469204E-04 14 4.3252664E+01 5.0177468E-04 -2.8647502E-02 2.3912011E-02 -1.1907682E-02 4.5599285E-03 -7.4948672E-04 15 2.1991958E+01 3.5993297E-04 -6.6052616E-03 -8.8083033E-03 6.8705384E-03 -2.9429884E-03 4.8513357E-04 16 1.1085626E+01 2.1134767E-04 -2.0383578E-04 -1.9455222E-02 1.6389614E-02 -6.5739877E-03 1.0978755E-03 17 5.6191807E+00 1.4342287E-04 -2.7835619E-05 -5.2964347E-03 2.1700347E-04 9.0916193E-05 -2.7181028E-05 18 2.5991449E+00 7.6731555E-05 7.4775189E-06 -1.8669170E-04 -1.0311637E-02 6.5186268E-03 -1.1117741E-03 19 1.2092092E+00 5.6356586E-05 -1.6746123E-06 1.1939488E-05 -3.3890895E-03 9.3379982E-04 -1.5723340E-04 20 4.1867130E-01 2.7516593E-05 2.7352167E-07 4.4562140E-06 -9.9502682E-05 -3.8385487E-03 7.9157506E-04 21 1.5867990E-01 1.6034162E-05 -1.0205358E-07 2.8906204E-06 4.0654395E-06 -1.3964208E-03 3.7821460E-04 22 2.6432483E-02 7.0171003E-06 -6.0770854E-09 1.2026504E-06 -5.4317010E-07 -1.8553860E-05 -8.0810939E-04 23 1.0851686E-02 8.6371722E-07 -3.8245356E-09 1.5302151E-07 1.0442951E-07 3.5955799E-06 -4.0555204E-04 2p+ 3p+ 4p+ 5p+ 6p+ 7p+ 1 2.2332924E+07 -9.5719632E-07 5.1507622E-07 -2.6677375E-07 1.1810804E-07 -4.1439642E-08 7.6912516E-09 2 4.4021223E+06 -5.8834391E-06 3.1296532E-06 -1.6031139E-06 7.3645496E-07 -2.5448306E-07 4.6214011E-08 3 1.0618564E+06 -2.8978350E-05 1.5539818E-05 -8.0207867E-06 3.5933804E-06 -1.2545901E-06 2.3124066E-07 4 2.9148845E+05 -1.2467418E-04 6.6531645E-05 -3.4170084E-05 1.5569131E-05 -5.3981577E-06 9.8511112E-07 5 8.8478251E+04 -4.7685817E-04 2.5565046E-04 -1.3178978E-04 5.9361226E-05 -2.0680327E-05 3.7998508E-06 6 2.9288618E+04 -1.6293980E-03 8.7330645E-04 -4.4933925E-04 2.0410935E-04 -7.0866907E-05 1.2957591E-05 7 1.0523575E+04 -4.8995056E-03 2.6458075E-03 -1.3658479E-03 6.1667421E-04 -2.1468881E-04 3.9403559E-05 8 4.0933375E+03 -1.2723180E-02 6.9445184E-03 -3.5903924E-03 1.6311396E-03 -5.6667742E-04 1.0367466E-04 9 1.7123975E+03 -2.7679347E-02 1.5528192E-02 -8.0934907E-03 3.6638257E-03 -1.2759444E-03 2.3415358E-04 10 7.6202584E+02 -4.7351749E-02 2.7703605E-02 -1.4582111E-02 6.6576964E-03 -2.3144577E-03 4.2333898E-04 11 3.5606311E+02 -5.6225451E-02 3.4830292E-02 -1.8657370E-02 8.4820136E-03 -2.9601942E-03 5.4399588E-04 12 1.7250288E+02 -3.6653969E-02 1.8134740E-02 -8.7805697E-03 3.9871177E-03 -1.3712306E-03 2.4831259E-04 13 8.4658182E+01 -8.9218740E-03 -1.9612010E-02 1.6435744E-02 -8.4681727E-03 2.9869559E-03 -5.4296641E-04 14 4.3252664E+01 -2.6459341E-04 -3.1636248E-02 2.7623711E-02 -1.3889690E-02 4.9724819E-03 -9.2117326E-04 15 2.1991958E+01 -6.4278147E-05 -1.0587979E-02 2.8937392E-05 1.1185317E-03 -5.4879123E-04 1.1505745E-04 16 1.1085626E+01 2.9300430E-05 -6.1653130E-04 -1.9125853E-02 1.5301043E-02 -5.8232059E-03 1.0567408E-03 17 5.6191807E+00 -9.7559158E-06 -3.9586863E-05 -8.0890202E-03 5.0073357E-03 -1.9281874E-03 3.7809637E-04 18 2.5991449E+00 2.9390435E-06 1.1691652E-05 -5.2153952E-04 -9.0012929E-03 4.9764278E-03 -9.6986929E-04 19 1.2092092E+00 -8.6428629E-07 -2.5583021E-06 5.6198242E-06 -4.9026821E-03 2.5431167E-03 -4.5189318E-04 20 4.1867130E-01 1.5194779E-07 5.6547775E-07 -8.9053801E-07 -2.5812700E-04 -2.8744465E-03 5.6547906E-04 21 1.5867990E-01 -3.0609179E-08 -1.2829136E-07 2.3312273E-07 1.5782459E-05 -2.0414977E-03 6.4566646E-04 22 2.6432483E-02 2.3057719E-09 1.4561323E-08 -2.4555523E-08 -1.4921536E-06 -7.7789166E-05 -5.9595940E-04 23 1.0851686E-02 -3.5010965E-10 -4.7420494E-09 7.5814199E-09 4.8568849E-07 1.7819574E-05 -5.4380886E-04 3d- 4d- 5d- 1 1.5475567E+04 -1.7975703E-04 9.8191568E-05 -3.9658154E-05 2 3.8983314E+03 -9.8848787E-04 5.4026818E-04 -2.1862027E-04 3 1.3583963E+03 -3.7387895E-03 2.0615273E-03 -8.3447599E-04 4 5.5935643E+02 -1.0585652E-02 5.8923985E-03 -2.3933988E-03 5 2.5426851E+02 -2.2335542E-02 1.2699999E-02 -5.1738290E-03 6 1.2320603E+02 -3.2777166E-02 1.8594900E-02 -7.5882972E-03 7 6.2057429E+01 -2.9621881E-02 1.4976635E-02 -5.8886212E-03 8 3.1898116E+01 -1.2933383E-02 -3.1099796E-03 2.4913197E-03 9 1.6241360E+01 -1.9734937E-03 -1.7388568E-02 9.2563139E-03 10 8.2156309E+00 -3.4898270E-05 -1.2859538E-02 6.0475221E-03 11 4.0362738E+00 3.4343588E-06 -2.8139866E-03 -4.2542924E-03 12 1.9309074E+00 5.7691553E-06 -8.9412751E-05 -7.5630589E-03 13 8.7172848E-01 1.3188032E-06 -5.0528046E-06 -3.2302705E-03 14 3.4344862E-01 8.8157733E-07 1.9848458E-06 -3.0877821E-04 3d+ 4d+ 5d+ 1 1.5475567E+04 -9.7103384E-05 5.3014579E-05 -2.1217522E-05 2 3.8983314E+03 -6.8789253E-04 3.7487094E-04 -1.5024908E-04 3 1.3583963E+03 -2.9971030E-03 1.6489901E-03 -6.6139366E-04 4 5.5935643E+02 -9.2519816E-03 5.1364653E-03 -2.0663468E-03 5 2.5426851E+02 -2.0680733E-02 1.1744923E-02 -4.7423017E-03 6 1.2320603E+02 -3.1796862E-02 1.8100811E-02 -7.3239858E-03 7 6.2057429E+01 -3.0259228E-02 1.5756994E-02 -6.2057676E-03 8 3.1898116E+01 -1.4095076E-02 -1.3855189E-03 1.6456975E-03 9 1.6241360E+01 -2.3752968E-03 -1.6564160E-02 8.7419582E-03 10 8.2156309E+00 -7.6412325E-05 -1.3422052E-02 6.5062493E-03 11 4.0362738E+00 -8.9578775E-06 -3.2143356E-03 -3.4500460E-03 12 1.9309074E+00 1.8034159E-06 -1.2236440E-04 -7.4755675E-03 13 8.7172848E-01 -4.3625435E-07 -7.7786148E-06 -3.5085822E-03 14 3.4344862E-01 5.6923626E-08 1.7445118E-06 -3.8083058E-04 4f- 1 6.4166416E+02 -4.8314575E-04 2 2.1726779E+02 -2.5324829E-03 3 9.1635026E+01 -7.4857814E-03 4 4.2375982E+01 -1.4372772E-02 5 2.0514028E+01 -1.7429561E-02 6 9.9765878E+00 -1.3203397E-02 7 4.7348711E+00 -5.3585041E-03 8 2.0650807E+00 -7.4547607E-04 4f+ 1 6.4166416E+02 -4.2700671E-04 2 2.1726779E+02 -2.3510399E-03 3 9.1635026E+01 -7.1729831E-03 4 4.2375982E+01 -1.4017581E-02 5 2.0514028E+01 -1.7250836E-02 6 9.9765878E+00 -1.3344185E-02 7 4.7348711E+00 -5.5420162E-03 8 2.0650807E+00 -8.0651067E-04 ** Ra 226 ** Large component functions ------------------------- 1s+ 2s+ 3s+ 4s+ 5s+ 6s+ 7s+ 1 5.6763728E+07 3.6012478E-04 -1.4621336E-04 7.0993256E-05 3.6473433E-05 -1.7494449E-05 7.3662771E-06 2.1544200E-06 2 1.4747363E+07 8.6058381E-04 -3.5098697E-04 1.7057613E-04 8.7635960E-05 -4.2038771E-05 1.7701390E-05 5.1770227E-06 3 4.8145849E+06 1.7671920E-03 -7.2452565E-04 3.5233460E-04 1.8110696E-04 -8.6874468E-05 3.6580336E-05 1.0698859E-05 4 1.7081469E+06 3.4038565E-03 -1.4073260E-03 6.8557993E-04 3.5238122E-04 -1.6906778E-04 7.1192810E-05 2.0821102E-05 5 6.4698808E+05 6.5374016E-03 -2.7314238E-03 1.3322484E-03 6.8544995E-04 -3.2885120E-04 1.3847466E-04 4.0501671E-05 6 2.5555834E+05 1.2508439E-02 -5.3029047E-03 2.5945238E-03 1.3346206E-03 -6.4054785E-04 2.6974870E-04 7.8889228E-05 7 1.0486877E+05 2.4086683E-02 -1.0391492E-02 5.0937770E-03 2.6250221E-03 -1.2596934E-03 5.3046976E-04 1.5516242E-04 8 4.4457253E+04 4.6359069E-02 -2.0471782E-02 1.0088056E-02 5.1958643E-03 -2.4951528E-03 1.0508960E-03 3.0732674E-04 9 1.9428038E+04 8.7740064E-02 -3.9951553E-02 1.9755738E-02 1.0210294E-02 -4.9018577E-03 2.0644311E-03 6.0390471E-04 10 8.7291409E+03 1.5690205E-01 -7.5085274E-02 3.7566039E-02 1.9403257E-02 -9.3289358E-03 3.9301629E-03 1.1492613E-03 11 4.0245291E+03 2.4595770E-01 -1.2752369E-01 6.4551446E-02 3.3616492E-02 -1.6159314E-02 6.8075077E-03 1.9918558E-03 12 1.9003687E+03 2.9192194E-01 -1.7088497E-01 8.9229637E-02 4.6422394E-02 -2.2398489E-02 9.4436747E-03 2.7607034E-03 13 9.1610272E+02 2.0317894E-01 -9.8572266E-02 4.6996261E-02 2.4613673E-02 -1.1727227E-02 4.9303788E-03 1.4460531E-03 14 4.3723656E+02 5.0588219E-02 2.3134490E-01 -1.8236240E-01 -1.0754953E-01 5.3123690E-02 -2.2517077E-02 -6.6034928E-03 15 2.2099401E+02 -8.3405542E-04 5.3867842E-01 -5.3867621E-01 -3.2907201E-01 1.6611288E-01 -7.0762620E-02 -2.0705753E-02 16 1.1430094E+02 1.4069219E-03 3.3813636E-01 -3.4613463E-01 -2.3755094E-01 1.2211713E-01 -5.2214643E-02 -1.5362811E-02 17 5.6073523E+01 -8.7392504E-04 4.5866664E-02 6.3287560E-01 6.9210321E-01 -4.0223551E-01 1.7674119E-01 5.2153263E-02 18 2.9724560E+01 5.0186526E-04 -3.0237974E-03 6.8325233E-01 9.0592183E-01 -5.7211731E-01 2.5743471E-01 7.5838375E-02 19 1.3873629E+01 -2.7898532E-04 1.1798221E-03 1.0357533E-01 -6.2058606E-01 5.9259850E-01 -2.9066293E-01 -8.6567546E-02 20 7.3565026E+00 1.5975331E-04 -7.0748289E-04 -8.9253387E-03 -8.9809659E-01 1.1349908E+00 -6.1458467E-01 -1.8772166E-01 21 2.9512659E+00 -7.4061570E-05 3.0355470E-04 3.2078052E-03 -9.4467256E-02 -7.1074232E-01 5.8326665E-01 1.8957522E-01 22 1.5416760E+00 3.8955206E-05 -1.4790571E-04 -1.6860084E-03 1.5472805E-02 -8.4098655E-01 8.4449315E-01 2.8864878E-01 23 5.0121187E-01 -1.3430764E-05 5.1115109E-05 5.2828753E-04 -3.8291053E-03 -5.5076151E-02 -7.7065596E-01 -3.4592545E-01 24 2.3305583E-01 6.3282213E-06 -2.4421897E-05 -2.3931870E-04 1.7192362E-03 1.1159105E-02 -6.5656922E-01 -4.7320075E-01 25 4.8446909E-02 -1.6992054E-06 6.5021642E-06 6.4701398E-05 -4.3306562E-04 -2.2607016E-03 -2.0986734E-02 6.9169010E-01 26 2.0497331E-02 7.5640808E-07 -2.8874912E-06 -2.8869684E-05 1.9123924E-04 9.7275006E-04 6.1734333E-03 5.3174865E-01 2p- 3p- 4p- 5p- 6p- 7p- 1 2.3529154E+07 1.6733008E-04 -8.6188805E-05 4.4179904E-05 -2.0457188E-05 7.9525524E-06 -1.9345848E-06 2 4.7278472E+06 4.9234158E-04 -2.5363401E-04 1.3001309E-04 -6.0207338E-05 2.3404520E-05 -5.6936244E-06 3 1.1541482E+06 1.1675683E-03 -6.0173445E-04 3.0849336E-04 -1.4284176E-04 5.5529883E-05 -1.3508365E-05 4 3.1941181E+05 2.5616948E-03 -1.3212625E-03 6.7745670E-04 -3.1378447E-04 1.2197524E-04 -2.9673794E-05 5 9.7462332E+04 5.4757616E-03 -2.8304204E-03 1.4522284E-03 -6.7237796E-04 2.6141668E-04 -6.3589930E-05 6 3.2344967E+04 1.1786929E-02 -6.1185275E-03 3.1417386E-03 -1.4564315E-03 5.6611658E-04 -1.3773763E-04 7 1.1621319E+04 2.6216387E-02 -1.3738430E-02 7.0740373E-03 -3.2755477E-03 1.2740142E-03 -3.0986293E-04 8 4.5112639E+03 6.0217866E-02 -3.2046268E-02 1.6551683E-02 -7.6930470E-03 2.9902733E-03 -7.2772966E-04 9 1.8817437E+03 1.3499685E-01 -7.3935338E-02 3.8503829E-02 -1.7851662E-02 6.9501848E-03 -1.6900021E-03 10 8.3500810E+02 2.6180900E-01 -1.4882302E-01 7.8125895E-02 -3.6550286E-02 1.4209955E-02 -3.4601668E-03 11 3.8917853E+02 3.6594843E-01 -2.1260349E-01 1.1254975E-01 -5.2076895E-02 2.0322777E-02 -4.9362944E-03 12 1.8823456E+02 2.7717351E-01 -7.4616561E-02 2.1034428E-02 -8.6818719E-03 3.0688516E-03 -7.6400034E-04 13 9.2049100E+01 7.3283359E-02 3.6877438E-01 -2.9957261E-01 1.5825633E-01 -6.2596432E-02 1.5323146E-02 14 4.6770533E+01 1.5275797E-03 5.5011540E-01 -4.6830181E-01 2.3743748E-01 -9.5276213E-02 2.3104896E-02 15 2.3718537E+01 8.3584191E-04 1.9358783E-01 1.8808028E-01 -1.5390521E-01 6.8979878E-02 -1.6717709E-02 16 1.1825884E+01 -5.2629476E-04 9.8903081E-03 7.3031031E-01 -6.2615774E-01 2.7125775E-01 -6.7432984E-02 17 5.9662135E+00 2.2305793E-04 1.2921523E-03 2.9220011E-01 -2.4799446E-02 -7.2695893E-03 3.4598665E-03 18 2.7145580E+00 -9.9399449E-05 -5.5732196E-04 1.6602404E-02 8.0715515E-01 -5.3670329E-01 1.3625342E-01 19 1.2629770E+00 5.0695356E-05 1.9403515E-04 -6.8637843E-04 3.5942805E-01 -1.1564288E-01 3.0767895E-02 20 4.8711700E-01 -1.9459653E-05 -8.3834374E-05 2.1526608E-04 1.6661321E-02 7.2141155E-01 -2.3824150E-01 21 2.0047011E-01 7.7886798E-06 3.3594986E-05 -1.0227226E-04 -3.5513038E-04 4.4398476E-01 -1.7373184E-01 22 4.8989894E-02 -2.4198236E-06 -1.0535537E-05 3.3416424E-05 -9.2790236E-06 2.2780054E-02 6.0905585E-01 23 1.8916835E-02 1.0143410E-06 4.3770285E-06 -1.3282096E-05 -1.5619671E-05 -3.3945429E-03 5.1911056E-01 2p+ 3p+ 4p+ 5p+ 6p+ 7p+ 1 2.3529154E+07 4.8954055E-07 -2.6291580E-07 1.3625365E-07 -6.2147475E-08 2.3098427E-08 -5.9380702E-09 2 4.7278472E+06 2.9478281E-06 -1.5809112E-06 8.1503300E-07 -3.7565182E-07 1.3932687E-07 -3.5728082E-08 3 1.1541482E+06 1.5782184E-05 -8.4962770E-06 4.4019704E-06 -2.0117837E-06 7.4746662E-07 -1.9207492E-07 4 3.1941181E+05 7.7847417E-05 -4.1940226E-05 2.1660560E-05 -9.9723100E-06 3.6998916E-06 -9.4910013E-07 5 9.7462332E+04 3.6530492E-04 -1.9776845E-04 1.0256189E-04 -4.6932990E-05 1.7435569E-05 -4.4793794E-06 6 3.2344967E+04 1.6380406E-03 -8.8947079E-04 4.6042698E-04 -2.1192448E-04 7.8646069E-05 -2.0178072E-05 7 1.1621319E+04 6.8184467E-03 -3.7317728E-03 1.9400520E-03 -8.8883363E-04 3.3021024E-04 -8.4824940E-05 8 4.5112639E+03 2.5385489E-02 -1.4047177E-02 7.3068149E-03 -3.3661925E-03 1.2495630E-03 -3.2062612E-04 9 1.8817437E+03 8.0454620E-02 -4.5659384E-02 2.3956548E-02 -1.0999756E-02 4.0883831E-03 -1.0502922E-03 10 8.3500810E+02 2.0258148E-01 -1.1958165E-01 6.3230352E-02 -2.9269971E-02 1.0872929E-02 -2.7897012E-03 11 3.8917853E+02 3.5718284E-01 -2.2287256E-01 1.2009414E-01 -5.5371429E-02 2.0614476E-02 -5.2991179E-03 12 1.8823456E+02 3.5357327E-01 -1.8781390E-01 9.3722194E-02 -4.3328270E-02 1.6009665E-02 -4.0937720E-03 13 9.2049100E+01 1.3621101E-01 2.2003280E-01 -1.8852558E-01 9.9048500E-02 -3.7486114E-02 9.6053118E-03 14 4.6770533E+01 6.7912520E-03 5.9366133E-01 -5.2246083E-01 2.6712801E-01 -1.0188482E-01 2.6311032E-02 15 2.3718537E+01 2.2367705E-03 3.0652584E-01 -5.4464835E-02 2.5247295E-03 2.2846344E-03 -8.5325891E-04 16 1.1825884E+01 -1.4453954E-03 2.8904801E-02 7.0042929E-01 -5.6927075E-01 2.3398135E-01 -6.0305057E-02 17 5.9662135E+00 7.2588521E-04 1.6641002E-03 4.4437040E-01 -2.8914515E-01 1.1711931E-01 -3.1005681E-02 18 2.7145580E+00 -3.4812815E-04 -7.7575442E-04 4.3215524E-02 7.0787835E-01 -4.2120767E-01 1.1445381E-01 19 1.2629770E+00 1.7136989E-04 2.8228413E-04 -1.4422940E-03 5.3196408E-01 -3.1057449E-01 8.1640804E-02 20 4.8711700E-01 -6.7918244E-05 -1.2978538E-04 4.1866632E-04 4.4604070E-02 5.4064747E-01 -1.6336184E-01 21 2.0047011E-01 2.7224824E-05 5.2722758E-05 -1.6755237E-04 -1.9664552E-03 6.3392481E-01 -2.8327782E-01 22 4.8989894E-02 -8.4770998E-06 -1.6660317E-05 5.1826417E-05 2.8486772E-04 7.4273929E-02 4.1521149E-01 23 1.8916835E-02 3.5513895E-06 6.9230961E-06 -2.0221538E-05 -1.4710848E-04 -1.4764735E-02 7.0976713E-01 3d- 4d- 5d- 1 1.6831797E+04 4.1610514E-04 -2.2797911E-04 9.4294728E-05 2 4.2210633E+03 2.4423762E-03 -1.3413014E-03 5.5523418E-04 3 1.4653175E+03 1.1997825E-02 -6.6472504E-03 2.7557205E-03 4 6.0192100E+02 4.7386159E-02 -2.6498104E-02 1.1012486E-02 5 2.7323605E+02 1.4277089E-01 -8.1546718E-02 3.4026328E-02 6 1.3237823E+02 3.0095687E-01 -1.7173062E-01 7.1705381E-02 7 6.6706580E+01 3.9331838E-01 -2.0357698E-01 8.2562331E-02 8 3.4371261E+01 2.5332040E-01 3.1856482E-02 -3.5163979E-02 9 1.7577137E+01 6.0354692E-02 4.2786282E-01 -2.3438652E-01 10 8.9370834E+00 2.7628505E-03 4.7933221E-01 -2.3988043E-01 11 4.4416937E+00 4.5447073E-04 1.6400444E-01 1.8927905E-01 12 2.1460241E+00 -1.4550905E-04 9.9317165E-03 5.6625775E-01 13 9.8337058E-01 5.7762681E-05 5.4473396E-04 3.7615167E-01 14 3.9891072E-01 -1.3100070E-05 -2.4597657E-04 5.8070589E-02 3d+ 4d+ 5d+ 1 1.6831797E+04 1.0246746E-04 -5.6399624E-05 2.3170893E-05 2 4.2210633E+03 1.2128157E-03 -6.6661823E-04 2.7381442E-04 3 1.4653175E+03 8.3102628E-03 -4.6110626E-03 1.8976608E-03 4 6.0192100E+02 3.8870866E-02 -2.1742465E-02 8.9643970E-03 5 2.7323605E+02 1.2822462E-01 -7.3348035E-02 3.0382760E-02 6 1.3237823E+02 2.8708550E-01 -1.6480993E-01 6.8345314E-02 7 6.6706580E+01 3.9720085E-01 -2.1170511E-01 8.6019063E-02 8 3.4371261E+01 2.7269095E-01 3.5749159E-04 -1.9368220E-02 9 1.7577137E+01 7.0457734E-02 4.0356249E-01 -2.1968216E-01 10 8.9370834E+00 3.6111468E-03 4.9748431E-01 -2.5495103E-01 11 4.4416937E+00 5.7474902E-04 1.8612744E-01 1.4635228E-01 12 2.1460241E+00 -1.8316572E-04 1.2990338E-02 5.5697500E-01 13 9.8337058E-01 7.1388192E-05 7.2424074E-04 4.0753816E-01 14 3.9891072E-01 -1.7266026E-05 -2.7822738E-04 7.1362328E-02 4f- 1 6.7455714E+02 1.9392221E-03 2 2.2828283E+02 1.5947955E-02 3 9.6324777E+01 7.1177320E-02 4 4.4593407E+01 2.0044439E-01 5 2.1633560E+01 3.5132774E-01 6 1.0556316E+01 3.8389458E-01 7 5.0356025E+00 2.2690575E-01 8 2.2153739E+00 4.7595938E-02 4f+ 1 6.7455714E+02 1.5602340E-03 2 2.2828283E+02 1.4384914E-02 3 9.6324777E+01 6.7393914E-02 4 4.4593407E+01 1.9444645E-01 5 2.1633560E+01 3.4673121E-01 6 1.0556316E+01 3.8746040E-01 7 5.0356025E+00 2.3448499E-01 8 2.2153739E+00 5.1390289E-02 Small component functions ------------------------- 1s+ 2s+ 3s+ 4s+ 5s+ 6s+ 7s+ 1 5.6763728E+07 -4.0492961E-04 1.6389817E-04 -7.9518590E-05 -4.0860127E-05 1.9596195E-05 -8.2510379E-06 -2.4132783E-06 2 1.4747363E+07 -1.3713789E-03 5.5527754E-04 -2.6959628E-04 -1.3842798E-04 6.6403723E-05 -2.7960782E-05 -8.1771977E-06 3 4.8145849E+06 -2.7165075E-03 1.1005747E-03 -5.3397467E-04 -2.7443857E-04 1.3161338E-04 -5.5415776E-05 -1.6208487E-05 4 1.7081469E+06 -5.1404702E-03 2.0854463E-03 -1.0130833E-03 -5.2009304E-04 2.4951192E-04 -1.0506474E-04 -3.0725414E-05 5 6.4698808E+05 -9.0677149E-03 3.6843026E-03 -1.7880762E-03 -9.1933521E-04 4.4087189E-04 -1.8562764E-04 -5.4295838E-05 6 2.5555834E+05 -1.5591514E-02 6.3578043E-03 -3.0921034E-03 -1.5873696E-03 7.6163657E-04 -3.2072022E-04 -9.3789209E-05 7 1.0486877E+05 -2.5745081E-02 1.0555853E-02 -5.1303521E-03 -2.6396473E-03 1.2658926E-03 -5.3300410E-04 -1.5590961E-04 8 4.4457253E+04 -4.0876200E-02 1.6961060E-02 -8.2786821E-03 -4.2520116E-03 2.0408159E-03 -8.5943523E-04 -2.5131741E-04 9 1.9428038E+04 -6.1187344E-02 2.5939749E-02 -1.2683412E-02 -6.5395772E-03 3.1371084E-03 -1.3209713E-03 -3.8642857E-04 10 8.7291409E+03 -8.3553944E-02 3.7016598E-02 -1.8311931E-02 -9.4294352E-03 4.5305901E-03 -1.9083876E-03 -5.5801921E-04 11 4.0245291E+03 -9.7188485E-02 4.6589794E-02 -2.3326259E-02 -1.2118416E-02 5.8210946E-03 -2.4518937E-03 -7.1741792E-04 12 1.9003687E+03 -8.3919238E-02 4.5625147E-02 -2.3626228E-02 -1.2266612E-02 5.9156416E-03 -2.4938651E-03 -7.2901879E-04 13 9.1610272E+02 -4.1918674E-02 1.9636644E-02 -9.5279216E-03 -5.0105611E-03 2.3922444E-03 -1.0062623E-03 -2.9508438E-04 14 4.3723656E+02 -7.3432896E-03 -2.9694092E-02 2.3031600E-02 1.3545182E-02 -6.6843400E-03 2.8326902E-03 8.3076382E-04 15 2.2099401E+02 9.0655143E-05 -5.0856066E-02 5.0184591E-02 3.0575901E-02 -1.5424319E-02 6.5695786E-03 1.9222554E-03 16 1.1430094E+02 -1.0706690E-04 -2.3143294E-02 2.3591269E-02 1.6201566E-02 -8.3317749E-03 3.5629484E-03 1.0482735E-03 17 5.6073523E+01 4.6926075E-05 -2.2156635E-03 -2.9857876E-02 -3.2547039E-02 1.8900844E-02 -8.3037227E-03 -2.4502548E-03 18 2.9724560E+01 -1.9992027E-05 1.1160291E-04 -2.3632611E-02 -3.1258083E-02 1.9735483E-02 -8.8795769E-03 -2.6158478E-03 19 1.3873629E+01 7.7372464E-06 -3.1361731E-05 -2.4400895E-03 1.4592869E-02 -1.3919499E-02 6.8254100E-03 2.0326985E-03 20 7.3565026E+00 -3.2794041E-06 1.4024744E-05 1.4946014E-04 1.5405798E-02 -1.9458333E-02 1.0535993E-02 3.2181290E-03 21 2.9512659E+00 1.0034053E-06 -4.1355382E-06 -3.3067587E-05 1.0274094E-03 7.7138058E-03 -6.3291481E-03 -2.0570570E-03 22 1.5416760E+00 -3.9818576E-07 1.5970491E-06 1.2276758E-05 -1.2193421E-04 6.6009685E-03 -6.6273857E-03 -2.2652286E-03 23 5.0121187E-01 8.6793272E-08 -3.7563570E-07 -2.0279093E-06 1.7284319E-05 2.4628967E-04 3.4480425E-03 1.5476578E-03 24 2.3305583E-01 -3.0894531E-08 1.4334630E-07 5.6978545E-07 -5.3142090E-06 -3.3968959E-05 2.0031429E-03 1.4436846E-03 25 4.8446909E-02 5.1609940E-09 -2.7366134E-08 -4.6352315E-08 6.2008739E-07 3.1230182E-06 2.9203871E-05 -9.6214036E-04 26 2.0497331E-02 -1.9620850E-09 1.1274884E-08 5.3296166E-09 -1.8129261E-07 -8.6972729E-07 -5.5906682E-06 -4.8112039E-04 2p- 3p- 4p- 5p- 6p- 7p- 1 2.3529154E+07 -6.1551299E-05 3.1730953E-05 -1.6271003E-05 7.5301922E-06 -2.9278324E-06 7.1215634E-07 2 4.7278472E+06 -1.9755890E-04 1.0190142E-04 -5.2240300E-05 2.4211396E-05 -9.4098297E-06 2.2894873E-06 3 1.1541482E+06 -4.8456231E-04 2.5047544E-04 -1.2853759E-04 5.9471035E-05 -2.3126806E-05 5.6248031E-06 4 3.1941181E+05 -1.1025376E-03 5.7103228E-04 -2.9299231E-04 1.3589641E-04 -5.2810859E-05 1.2850799E-05 5 9.7462332E+04 -2.4333764E-03 1.2663098E-03 -6.5098633E-04 3.0115474E-04 -1.1713987E-04 2.8487327E-05 6 3.2344967E+04 -5.2789751E-03 2.7602938E-03 -1.4193586E-03 6.5904443E-04 -2.5610289E-04 6.2326562E-05 7 1.1621319E+04 -1.1103932E-02 5.8631319E-03 -3.0251997E-03 1.4000059E-03 -5.4473932E-04 1.3246394E-04 8 4.5112639E+03 -2.1958569E-02 1.1751014E-02 -6.0758439E-03 2.8269438E-03 -1.0986559E-03 2.6741803E-04 9 1.8817437E+03 -3.8697610E-02 2.1295019E-02 -1.1103314E-02 5.1466659E-03 -2.0041562E-03 4.8728121E-04 10 8.3500810E+02 -5.5532508E-02 3.1734778E-02 -1.6676688E-02 7.8067629E-03 -3.0349515E-03 7.3907754E-04 11 3.8917853E+02 -5.5629880E-02 3.2634749E-02 -1.7319394E-02 8.0163275E-03 -3.1289968E-03 7.5998102E-04 12 1.8823456E+02 -2.9407332E-02 8.0746296E-03 -2.3229577E-03 9.7054953E-04 -3.4425113E-04 8.5715464E-05 13 9.2049100E+01 -4.7046301E-03 -2.8813418E-02 2.3284420E-02 -1.2289783E-02 4.8601065E-03 -1.1897175E-03 14 4.6770533E+01 5.3686889E-04 -3.0751624E-02 2.6138835E-02 -1.3254130E-02 5.3184428E-03 -1.2897663E-03 15 2.3718537E+01 3.7286601E-04 -7.7189814E-03 -7.3886625E-03 6.0572658E-03 -2.7162946E-03 6.5824785E-04 16 1.1825884E+01 2.3900264E-04 -2.7862873E-04 -2.0456714E-02 1.7543127E-02 -7.6000455E-03 1.8893421E-03 17 5.9662135E+00 1.4864898E-04 -2.5752695E-05 -5.8017270E-03 4.9193479E-04 1.4429254E-04 -6.8754854E-05 18 2.7145580E+00 8.6859534E-05 7.4658625E-06 -2.0830396E-04 -1.0852192E-02 7.2143112E-03 -1.8314761E-03 19 1.2629770E+00 5.4233039E-05 -1.7629195E-06 1.5732415E-05 -3.2974268E-03 1.0615724E-03 -2.8243402E-04 20 4.8711700E-01 2.8396188E-05 4.6784002E-07 3.7244036E-06 -9.5511166E-05 -4.1072926E-03 1.3564309E-03 21 2.0047011E-01 1.7282432E-05 -1.1963831E-07 3.3725738E-06 8.8975661E-07 -1.6215156E-03 6.3455695E-04 22 4.8989894E-02 7.7708964E-06 1.7555755E-08 1.2942602E-06 -1.5882918E-07 -4.0972791E-05 -1.0998723E-03 23 1.8916835E-02 3.0609895E-06 -4.4987560E-09 5.4595312E-07 -5.4084837E-08 3.8749971E-06 -5.8252340E-04 2p+ 3p+ 4p+ 5p+ 6p+ 7p+ 1 2.3529154E+07 -9.3025833E-07 5.0133101E-07 -2.6217380E-07 1.1748884E-07 -4.3823568E-08 1.1314267E-08 2 4.7278472E+06 -5.6473298E-06 3.0147091E-06 -1.5441554E-06 7.1973097E-07 -2.6633412E-07 6.8111637E-08 3 1.1541482E+06 -2.7388243E-05 1.4718498E-05 -7.6468963E-06 3.4702615E-06 -1.2910919E-06 3.3231493E-07 4 3.1941181E+05 -1.1691808E-04 6.2583214E-05 -3.2210497E-05 1.4882606E-05 -5.5169760E-06 1.4138790E-06 5 9.7462332E+04 -4.4436476E-04 2.3879116E-04 -1.2373466E-04 5.6474678E-05 -2.0987380E-05 5.3945945E-06 6 3.2344967E+04 -1.5177489E-03 8.1564504E-04 -4.2091278E-04 1.9383557E-04 -7.1908233E-05 1.8444150E-05 7 1.1621319E+04 -4.5782945E-03 2.4771569E-03 -1.2845743E-03 5.8777809E-04 -2.1836151E-04 5.6100235E-05 8 4.5112639E+03 -1.1993391E-02 6.5556764E-03 -3.3993714E-03 1.5654122E-03 -5.8097619E-04 1.4905968E-04 9 1.8817437E+03 -2.6437544E-02 1.4826185E-02 -7.7576045E-03 3.5588907E-03 -1.3226327E-03 3.3978934E-04 10 8.3500810E+02 -4.6281477E-02 2.7025167E-02 -1.4253347E-02 6.5946005E-03 -2.4493583E-03 6.2841774E-04 11 3.8917853E+02 -5.7062923E-02 3.5287032E-02 -1.8979409E-02 8.7466285E-03 -3.2560809E-03 8.3700469E-04 12 1.8823456E+02 -3.9795054E-02 2.1071397E-02 -1.0531642E-02 4.8707506E-03 -1.7999858E-03 4.6029007E-04 13 9.2049100E+01 -1.0779963E-02 -1.7037095E-02 1.4573246E-02 -7.6547137E-03 2.8966840E-03 -7.4219975E-04 14 4.6770533E+01 -3.8567660E-04 -3.3134510E-02 2.9103897E-02 -1.4875654E-02 5.6733772E-03 -1.4651025E-03 15 2.3718537E+01 -8.9062491E-05 -1.2212640E-02 2.1980906E-03 -1.2452793E-04 -8.0916913E-05 3.1340982E-05 16 1.1825884E+01 4.0474679E-05 -8.1300356E-04 -1.9648296E-02 1.5960320E-02 -6.5593579E-03 1.6905538E-03 17 5.9662135E+00 -1.4339503E-05 -3.3470901E-05 -8.8612430E-03 5.7656325E-03 -2.3356844E-03 6.1833427E-04 18 2.7145580E+00 4.5860639E-06 1.0559131E-05 -5.8129719E-04 -9.5145660E-03 5.6608162E-03 -1.5381864E-03 19 1.2629770E+00 -1.5175226E-06 -2.6433581E-06 1.3219477E-05 -4.8781990E-03 2.8478252E-03 -7.4860985E-04 20 4.8711700E-01 3.6189545E-07 7.5925339E-07 -2.3793981E-06 -2.5398903E-04 -3.0785260E-03 9.3019231E-04 21 2.0047011E-01 -8.8720341E-08 -2.0024408E-07 6.0997744E-07 7.1720471E-06 -2.3157276E-03 1.0348011E-03 22 4.8989894E-02 1.1899882E-08 3.2254247E-08 -9.2904968E-08 -5.1081194E-07 -1.3412801E-04 -7.4979218E-04 23 1.8916835E-02 -2.4775704E-09 -8.6829095E-09 2.2383234E-08 1.6350819E-07 1.6568668E-05 -7.9645486E-04 3d- 4d- 5d- 1 1.6831797E+04 -1.7040572E-04 9.3637241E-05 -3.8745856E-05 2 4.2210633E+03 -9.3746646E-04 5.1511216E-04 -2.1327435E-04 3 1.4653175E+03 -3.5620916E-03 1.9750716E-03 -8.1890605E-04 4 6.0192100E+02 -1.0181934E-02 5.6945110E-03 -2.3666932E-03 5 2.7323605E+02 -2.1797017E-02 1.2455174E-02 -5.1975540E-03 6 1.3237823E+02 -3.2754070E-02 1.8707730E-02 -7.8128005E-03 7 6.6706580E+01 -3.0708300E-02 1.5929192E-02 -6.4644459E-03 8 3.4371261E+01 -1.4225008E-02 -1.7758715E-03 1.9688357E-03 9 1.7577137E+01 -2.3872995E-03 -1.7281952E-02 9.4655881E-03 10 8.9370834E+00 -5.3632313E-05 -1.3821531E-02 6.9196137E-03 11 4.4416937E+00 2.4260518E-06 -3.3318001E-03 -3.8468661E-03 12 2.1460241E+00 6.9895836E-06 -1.3767065E-04 -8.0058806E-03 13 9.8337058E-01 1.3417645E-06 -4.1696364E-06 -3.6002590E-03 14 3.9891072E-01 1.0824755E-06 2.0749662E-06 -3.5367633E-04 3d+ 4d+ 5d+ 1 1.6831797E+04 -8.9657385E-05 4.9263821E-05 -2.0231880E-05 2 4.2210633E+03 -6.4161911E-04 3.5155937E-04 -1.4430715E-04 3 1.4653175E+03 -2.8244423E-03 1.5629890E-03 -6.4288190E-04 4 6.0192100E+02 -8.8347925E-03 4.9289124E-03 -2.0310693E-03 5 2.7323605E+02 -2.0083689E-02 1.1462999E-02 -4.7461596E-03 6 1.3237823E+02 -3.1657064E-02 1.8141198E-02 -7.5203388E-03 7 6.6706580E+01 -3.1269534E-02 1.6651847E-02 -6.7656732E-03 8 3.4371261E+01 -1.5455956E-02 9.5198509E-06 1.0789763E-03 9 1.7577137E+01 -2.8571276E-03 -1.6315886E-02 8.8786354E-03 10 8.9370834E+00 -1.0506279E-04 -1.4357858E-02 7.3565458E-03 11 4.4416937E+00 -1.1388246E-05 -3.7887268E-03 -2.9751607E-03 12 2.1460241E+00 2.4386391E-06 -1.8367942E-04 -7.8761936E-03 13 9.8337058E-01 -6.2093111E-07 -6.9842493E-06 -3.9014588E-03 14 3.9891072E-01 8.7145900E-08 1.7106902E-06 -4.3513424E-04 4f- 1 6.7455714E+02 -4.7689178E-04 2 2.2828283E+02 -2.5139680E-03 3 9.6324777E+01 -7.4966121E-03 4 4.4593407E+01 -1.4529987E-02 5 2.1633560E+01 -1.7819029E-02 6 1.0556316E+01 -1.3629155E-02 7 5.0356025E+00 -5.5669220E-03 8 2.2153739E+00 -7.7327061E-04 4f+ 1 6.7455714E+02 -4.1968423E-04 2 2.2828283E+02 -2.3280359E-03 3 9.6324777E+01 -7.1727190E-03 4 4.4593407E+01 -1.4160783E-02 5 2.1633560E+01 -1.7629736E-02 6 1.0556316E+01 -1.3774802E-02 7 5.0356025E+00 -5.7603030E-03 8 2.2153739E+00 -8.3740143E-04 Spin-free Dirac-Hartree-Fock basis sets ======================================= ** Fr 223 ** Large component functions ------------------------- 1s 2s 3s 4s 5s 6s 7s 1 5.6963096E+07 3.3866317E-04 -1.3681723E-04 6.6335493E-05 3.3972034E-05 -1.6120024E-05 -6.5077937E-06 1.6073140E-06 2 1.4755889E+07 8.1334939E-04 -3.3005612E-04 1.6017211E-04 8.2027334E-05 -3.8927170E-05 -1.5715386E-05 3.8809112E-06 3 4.7962438E+06 1.6820269E-03 -6.8610450E-04 3.3316177E-04 1.7070683E-04 -8.1007224E-05 -3.2704081E-05 8.0779836E-06 4 1.6931776E+06 3.2655942E-03 -1.3432042E-03 6.5337877E-04 3.3474944E-04 -1.5889027E-04 -6.4147986E-05 1.5839904E-05 5 6.3800494E+05 6.3202677E-03 -2.6268709E-03 1.2793272E-03 6.5612726E-04 -3.1140090E-04 -1.2572374E-04 3.1058148E-05 6 2.5085475E+05 1.2189253E-02 -5.1399849E-03 2.5110032E-03 1.2874634E-03 -6.1131262E-04 -2.4681620E-04 6.0935770E-05 7 1.0253048E+05 2.3658888E-02 -1.0150760E-02 4.9679821E-03 2.5520574E-03 -1.2114806E-03 -4.8915471E-04 1.2086766E-04 8 4.3324751E+04 4.5893525E-02 -2.0152833E-02 9.9153001E-03 5.0900639E-03 -2.4182876E-03 -9.7646982E-04 2.4100548E-04 9 1.8883306E+04 8.7491826E-02 -3.9616580E-02 1.9558688E-02 1.0076550E-02 -4.7852607E-03 -1.9323835E-03 4.7769236E-04 10 8.4668678E+03 1.5739460E-01 -7.4952287E-02 3.7443895E-02 1.9275703E-02 -9.1693320E-03 -3.7032064E-03 9.1347773E-04 11 3.8974480E+03 2.4763155E-01 -1.2798721E-01 6.4705165E-02 3.3595348E-02 -1.5972758E-02 -6.4524938E-03 1.5967218E-03 12 1.8382356E+03 2.9370339E-01 -1.7217913E-01 8.9872549E-02 4.6604659E-02 -2.2253858E-02 -8.9929300E-03 2.2136709E-03 13 8.8536603E+02 2.0285341E-01 -9.9214355E-02 4.7480256E-02 2.4860234E-02 -1.1704991E-02 -4.7254227E-03 1.1854114E-03 14 4.2155307E+02 4.9473240E-02 2.3498316E-01 -1.8461293E-01 -1.0855005E-01 5.2974050E-02 2.1538849E-02 -5.3714858E-03 15 2.1290435E+02 -9.9711440E-04 5.4167445E-01 -5.4273617E-01 -3.3036175E-01 1.6504322E-01 6.7342362E-02 -1.6542170E-02 16 1.1005381E+02 1.4157802E-03 3.3423719E-01 -3.4031991E-01 -2.3354439E-01 1.1847655E-01 4.8623264E-02 -1.2268204E-02 17 5.3965406E+01 -8.7400697E-04 4.4189055E-02 6.4369602E-01 7.0201916E-01 -4.0259109E-01 -1.6953032E-01 4.2610633E-02 18 2.8566819E+01 4.9479972E-04 -2.8451300E-03 6.7652961E-01 8.9287520E-01 -5.5740608E-01 -2.3961304E-01 5.8760649E-02 19 1.3268951E+01 -2.6867423E-04 1.0772698E-03 9.9147978E-02 -6.4181146E-01 6.0434608E-01 2.8231897E-01 -6.9277971E-02 20 7.0040811E+00 1.5039094E-04 -6.4500975E-04 -8.4202870E-03 -8.8308669E-01 1.0987210E+00 5.6727819E-01 -1.4774523E-01 21 2.7630508E+00 -6.6385908E-05 2.6355310E-04 2.8948492E-03 -8.6531479E-02 -7.4271568E-01 -5.7875335E-01 1.6160660E-01 22 1.4215454E+00 3.3406084E-05 -1.2196414E-04 -1.4712638E-03 1.3829165E-02 -8.0619998E-01 -7.5767028E-01 2.0569724E-01 23 4.3735660E-01 -1.0340580E-05 3.7971570E-05 4.1289835E-04 -3.1260222E-03 -4.5181682E-02 7.8945876E-01 -2.6899009E-01 24 1.9008543E-01 4.5081469E-06 -1.6834556E-05 -1.7274554E-04 1.3066396E-03 8.7452214E-03 6.0520878E-01 -3.8455135E-01 25 3.0289608E-02 -1.2534686E-06 4.6314099E-06 4.8555087E-05 -3.4165471E-04 -1.8982357E-03 1.6756948E-02 7.0961248E-01 26 1.3992651E-02 6.6055175E-07 -2.4399327E-06 -2.5588847E-05 1.7938671E-04 9.8247621E-04 -5.8393963E-03 4.5176741E-01 2p 3p 4p 5p 6p 7p 1 2.2332924E+07 2.6326088E-05 -1.3764717E-05 7.0504268E-06 -3.1966774E-06 1.1299901E-06 -1.9806184E-07 2 4.4021223E+06 8.5529538E-05 -4.4736063E-05 2.2915027E-05 -1.0393311E-05 3.6733565E-06 -6.4378118E-07 3 1.0618564E+06 2.3018525E-04 -1.2054877E-04 6.1772749E-05 -2.8005020E-05 9.9006053E-06 -1.7354813E-06 4 2.9148845E+05 5.9083948E-04 -3.1004478E-04 1.5892954E-04 -7.2123178E-05 2.5487416E-05 -4.4662885E-06 5 8.8478251E+04 1.5424846E-03 -8.1337735E-04 4.1753483E-04 -1.8926481E-04 6.6933860E-05 -1.1735282E-05 6 2.9288618E+04 4.2803786E-03 -2.2723480E-03 1.1679546E-03 -5.3077550E-04 1.8752786E-04 -3.2853133E-05 7 1.0523575E+04 1.2660002E-02 -6.8009649E-03 3.5074430E-03 -1.5904069E-03 5.6278215E-04 -9.8700186E-05 8 4.0933375E+03 3.7832788E-02 -2.0637217E-02 1.0676960E-02 -4.8636388E-03 1.7182948E-03 -3.0095669E-04 9 1.7123975E+03 1.0417064E-01 -5.8507643E-02 3.0513994E-02 -1.3863100E-02 4.9099653E-03 -8.6137865E-04 10 7.6202584E+02 2.3518706E-01 -1.3765502E-01 7.2504456E-02 -3.3217424E-02 1.1738688E-02 -2.0552399E-03 11 3.5606311E+02 3.7151276E-01 -2.2799108E-01 1.2181461E-01 -5.5481992E-02 1.9702229E-02 -3.4607550E-03 12 1.7250288E+02 3.1706573E-01 -1.3486156E-01 5.9852175E-02 -2.6849332E-02 9.2692456E-03 -1.6046687E-03 13 8.4658182E+01 9.7927029E-02 3.1002765E-01 -2.5598248E-01 1.3209368E-01 -4.7320523E-02 8.2592077E-03 14 4.3252664E+01 3.1839694E-03 5.7747967E-01 -5.0140105E-01 2.5192212E-01 -9.1968953E-02 1.6259782E-02 15 2.1991958E+01 1.2353870E-03 2.4117505E-01 7.2993565E-02 -7.5600406E-02 3.2669678E-02 -6.0226754E-03 16 1.1085626E+01 -7.9480396E-04 1.6474993E-02 7.1794089E-01 -5.8393895E-01 2.2602800E-01 -3.9472109E-02 17 5.6191807E+00 3.5663257E-04 1.8752118E-03 3.7133678E-01 -1.8643901E-01 7.0912287E-02 -1.3261687E-02 18 2.5991449E+00 -1.5733563E-04 -8.0980591E-04 2.9690881E-02 7.2682737E-01 -4.1773726E-01 7.7346681E-02 19 1.2092092E+00 7.0472827E-05 2.5693341E-04 -3.3446471E-04 4.9261500E-01 -2.3645761E-01 4.0348732E-02 20 4.1867130E-01 -2.2236168E-05 -9.4665681E-05 7.0852514E-05 3.6472996E-02 6.1173777E-01 -1.2048741E-01 21 1.5867990E-01 8.1039298E-06 3.4733578E-05 -3.8688643E-05 -3.2957663E-03 5.6660320E-01 -1.7409627E-01 22 2.6432483E-02 -2.2271208E-06 -9.5839028E-06 9.9754989E-06 7.3996943E-04 3.9501344E-02 5.0022678E-01 23 1.0851686E-02 1.1266463E-06 4.8371046E-06 -4.7675089E-06 -3.7676340E-04 -1.3715956E-02 5.9044274E-01 3d 4d 5d 1 1.5475567E+04 2.3000844E-04 -1.2540093E-04 5.0404784E-05 2 3.8983314E+03 1.8124804E-03 -9.9020805E-04 3.9866043E-04 3 1.3583963E+03 1.0564839E-02 -5.8250064E-03 2.3467889E-03 4 5.5935643E+02 4.5502758E-02 -2.5327053E-02 1.0236734E-02 5 2.5426851E+02 1.4248936E-01 -8.1069437E-02 3.2875327E-02 6 1.2320603E+02 3.0410251E-01 -1.7301368E-01 7.0294351E-02 7 6.2057429E+01 3.9656057E-01 -2.0414260E-01 8.0382983E-02 8 3.1898116E+01 2.5035802E-01 3.8634849E-02 -3.6726899E-02 9 1.6241360E+01 5.7170325E-02 4.3547511E-01 -2.3075157E-01 10 8.2156309E+00 2.4743630E-03 4.7723363E-01 -2.2909769E-01 11 4.0362738E+00 4.2427103E-04 1.5696287E-01 1.9537757E-01 12 1.9309074E+00 -1.2756776E-04 8.1613441E-03 5.6126834E-01 13 8.7172848E-01 4.8081204E-05 7.6735034E-04 3.7596031E-01 14 3.4344862E-01 -1.0902384E-05 -2.8810763E-04 6.1529070E-02 4f 1 6.4166416E+02 1.7834142E-03 2 2.1726779E+02 1.5554634E-02 3 9.1635026E+01 7.0746417E-02 4 4.2375982E+01 2.0010951E-01 5 2.0514028E+01 3.5050198E-01 6 9.9765878E+00 3.8456473E-01 7 4.7348711E+00 2.2912033E-01 8 2.0650807E+00 4.9463513E-02 Pseudo-large component functions -------------------------------- 1s 2s 3s 4s 5s 6s 7s 1 5.6963096E+07 8.0655728E-06 -3.2484667E-06 1.5737894E-06 8.0613190E-07 -3.8246170E-07 -1.5440230E-07 3.8143213E-08 2 1.4755889E+07 5.3828999E-05 -2.1688313E-05 1.0515114E-05 5.3817519E-06 -2.5540542E-06 -1.0310842E-06 2.5457114E-07 3 4.7962438E+06 1.8826518E-04 -7.5895670E-05 3.6769685E-05 1.8838488E-05 -8.9372752E-06 -3.6080488E-06 8.9143819E-07 4 1.6931776E+06 6.0309371E-04 -2.4345879E-04 1.1810084E-04 6.0434124E-05 -2.8683894E-05 -1.1579864E-05 2.8584964E-06 5 6.3800494E+05 1.7435910E-03 -7.0490003E-04 3.4160748E-04 1.7508574E-04 -8.3058773E-05 -3.3531780E-05 8.2861746E-06 6 2.5085475E+05 4.8051032E-03 -1.9496874E-03 9.4687056E-04 4.8450854E-04 -2.2999826E-04 -9.2852788E-05 2.2916427E-05 7 1.0253048E+05 1.2469977E-02 -5.0875602E-03 2.4690592E-03 1.2664032E-03 -6.0077140E-04 -2.4254466E-04 5.9949118E-05 8 4.3324751E+04 3.0583465E-02 -1.2629878E-02 6.1559288E-03 3.1514115E-03 -1.4965070E-03 -6.0418368E-04 1.4907703E-04 9 1.8883306E+04 6.9597961E-02 -2.9374687E-02 1.4342806E-02 7.3723381E-03 -3.4982873E-03 -1.4124733E-03 3.4924180E-04 10 8.4668678E+03 1.4230840E-01 -6.2829963E-02 3.1042823E-02 1.5932562E-02 -7.5742869E-03 -3.0585267E-03 7.5430015E-04 11 3.8974480E+03 2.4421466E-01 -1.1689922E-01 5.8469314E-02 3.0286769E-02 -1.4389512E-02 -5.8121210E-03 1.4384203E-03 12 1.8382356E+03 3.0621836E-01 -1.6701598E-01 8.6469435E-02 4.4749944E-02 -2.1358098E-02 -8.6299364E-03 2.1241551E-03 13 8.8536603E+02 2.1840689E-01 -1.0322834E-01 5.0234125E-02 2.6400102E-02 -1.2455737E-02 -5.0303303E-03 1.2604987E-03 14 4.2155307E+02 5.4213119E-02 2.2852944E-01 -1.7672016E-01 -1.0362845E-01 5.0524848E-02 2.0539951E-02 -5.1240099E-03 15 2.1290435E+02 -1.1386654E-03 5.4434777E-01 -5.3843459E-01 -3.2690132E-01 1.6321153E-01 6.6584825E-02 -1.6355159E-02 16 1.1005381E+02 1.5879098E-03 3.3846675E-01 -3.4330156E-01 -2.3575478E-01 1.1964715E-01 4.9108962E-02 -1.2387716E-02 17 5.3965406E+01 -9.8634381E-04 4.5092704E-02 6.4188142E-01 6.9784837E-01 -3.9989839E-01 -1.6837371E-01 4.2321492E-02 18 2.8566819E+01 5.6812906E-04 -3.0545228E-03 6.7908161E-01 8.9416083E-01 -5.5807642E-01 -2.3988276E-01 5.8828540E-02 19 1.3268951E+01 -3.1391344E-04 1.2247240E-03 9.9220054E-02 -6.4122763E-01 6.0316409E-01 2.8169175E-01 -6.9119032E-02 20 7.0040811E+00 1.7835538E-04 -7.5047184E-04 -8.2288219E-03 -8.8373940E-01 1.0989349E+00 5.6736660E-01 -1.4776569E-01 21 2.7630508E+00 -8.1826281E-05 3.3470195E-04 2.7498919E-03 -8.6677719E-02 -7.4251354E-01 -5.7849865E-01 1.6153299E-01 22 1.4215454E+00 4.2913192E-05 -1.7153881E-04 -1.3660701E-03 1.3886520E-02 -8.0641976E-01 -7.5776027E-01 2.0572222E-01 23 4.3735660E-01 -1.4733799E-05 6.5131362E-05 3.5266835E-04 -3.1531992E-03 -4.5157232E-02 7.8946931E-01 -2.6898464E-01 24 1.9008543E-01 7.1678017E-06 -3.4741421E-05 -1.3227481E-04 1.3239010E-03 8.7251846E-03 6.0521492E-01 -3.8455139E-01 25 3.0289608E-02 -2.8303387E-06 1.6424839E-05 2.1334713E-05 -3.5258259E-04 -1.8841993E-03 1.6763531E-02 7.0960963E-01 26 1.3992651E-02 1.9009551E-06 -1.1987478E-05 -3.4322922E-06 1.8814542E-04 9.7096310E-04 -5.8445561E-03 4.5177026E-01 2p 3p 4p 5p 6p 7p 1 2.2332924E+07 2.8006427E-07 -1.4675977E-07 7.5241292E-08 -3.4044224E-08 1.2047475E-08 -2.1133448E-09 2 4.4021223E+06 2.3004681E-06 -1.2054381E-06 6.1745337E-07 -2.8077511E-07 9.9117770E-08 -1.7355422E-08 3 1.0618564E+06 1.3848619E-05 -7.2872591E-06 3.7402101E-06 -1.6916342E-06 5.9884886E-07 -1.0507416E-07 4 2.9148845E+05 7.5257942E-05 -3.9650151E-05 2.0334900E-05 -9.2531086E-06 3.2661200E-06 -5.7182352E-07 5 8.8478251E+04 3.8408201E-04 -2.0349660E-04 1.0461433E-04 -4.7338959E-05 1.6758724E-05 -2.9403982E-06 6 2.9288618E+04 1.8331847E-03 -9.7413741E-04 5.0065971E-04 -2.2784669E-04 8.0446890E-05 -1.4086481E-05 7 1.0523575E+04 7.9157507E-03 -4.2440425E-03 2.1879692E-03 -9.9116183E-04 3.5086729E-04 -6.1553284E-05 8 4.0933375E+03 2.9726053E-02 -1.6131406E-02 8.3344120E-03 -3.7971169E-03 1.3411129E-03 -2.3485276E-04 9 1.7123975E+03 9.2729160E-02 -5.1765436E-02 2.6959758E-02 -1.2240922E-02 4.3356896E-03 -7.6069844E-04 10 7.6202584E+02 2.2324322E-01 -1.2992390E-01 6.8339502E-02 -3.1303816E-02 1.1060948E-02 -1.9364634E-03 11 3.5606311E+02 3.6394679E-01 -2.2260280E-01 1.1887393E-01 -5.4131908E-02 1.9223283E-02 -3.3767355E-03 12 1.7250288E+02 3.1400983E-01 -1.3446886E-01 6.0095925E-02 -2.7013965E-02 9.3322852E-03 -1.6158688E-03 13 8.4658182E+01 9.4641999E-02 3.0850410E-01 -2.5385061E-01 1.3091684E-01 -4.6891036E-02 8.1838720E-03 14 4.3252664E+01 -2.6327123E-04 5.7820814E-01 -5.0109272E-01 2.5171787E-01 -9.1890397E-02 1.6245753E-02 15 2.1991958E+01 -1.9930383E-03 2.4196746E-01 7.1773599E-02 -7.4756650E-02 3.2343430E-02 -5.9648816E-03 16 1.1085626E+01 -3.2659847E-03 1.6599525E-02 7.1753602E-01 -5.8342769E-01 2.2581730E-01 -3.9434980E-02 17 5.6191807E+00 -2.1170890E-03 1.9534744E-03 3.7116284E-01 -1.8649362E-01 7.0959695E-02 -1.3270211E-02 18 2.5991449E+00 -2.0646098E-03 -7.5443207E-04 2.9369899E-02 7.2685162E-01 -4.1768799E-01 7.7336783E-02 19 1.2092092E+00 -2.0078086E-03 3.1906821E-04 -6.9672347E-04 4.9273930E-01 -2.3650982E-01 4.0358359E-02 20 4.1867130E-01 -1.7355463E-03 -4.3413862E-05 -2.3301473E-04 3.6524024E-02 6.1169717E-01 -1.2047880E-01 21 1.5867990E-01 -1.6194352E-03 8.3080731E-05 -3.2395141E-04 -3.2476977E-03 5.6657740E-01 -1.7409085E-01 22 2.6432483E-02 -1.7439417E-03 4.2500109E-05 -2.9748430E-04 7.8920861E-04 3.9467842E-02 5.0023092E-01 23 1.0851686E-02 -3.3457723E-04 1.4718471E-05 -6.3257355E-05 -3.6636048E-04 -1.3722599E-02 5.9044400E-01 3d 4d 5d 1 1.5475567E+04 1.0596369E-04 -5.7857692E-05 2.3250482E-05 2 3.8983314E+03 1.3289655E-03 -7.2515576E-04 2.9192749E-04 3 1.3583963E+03 9.2321086E-03 -5.0844025E-03 2.0477995E-03 4 5.5935643E+02 4.2831021E-02 -2.3805910E-02 9.6192756E-03 5 2.5426851E+02 1.3869254E-01 -7.8822027E-02 3.1956683E-02 6 1.2320603E+02 3.0062240E-01 -1.7092153E-01 6.9435823E-02 7 6.2057429E+01 3.9483791E-01 -2.0334004E-01 8.0088544E-02 8 3.1898116E+01 2.4984566E-01 3.8113825E-02 -3.6399168E-02 9 1.6241360E+01 5.6711005E-02 4.3493795E-01 -2.3040582E-01 10 8.2156309E+00 2.1436346E-03 4.7712037E-01 -2.2905462E-01 11 4.0362738E+00 1.9732141E-04 1.5692233E-01 1.9524034E-01 12 1.9309074E+00 -2.5196336E-04 8.0875037E-03 5.6120832E-01 13 8.7172848E-01 -3.1408934E-05 7.2964640E-04 3.7594447E-01 14 3.4344862E-01 -6.8727095E-05 -3.2249370E-04 6.1510028E-02 4f 1 6.4166416E+02 1.6268380E-03 2 2.1726779E+02 1.5069951E-02 3 9.1635026E+01 6.9820430E-02 4 4.2375982E+01 1.9903376E-01 5 2.0514028E+01 3.4971670E-01 6 9.9765878E+00 3.8422079E-01 7 4.7348711E+00 2.2902491E-01 8 2.0650807E+00 4.9414443E-02 Foldy-Wouthuysen functions -------------------------- 1s 2s 3s 4s 5s 6s 7s 1 5.6963096E+07 8.7610845E-04 -3.5943893E-04 1.7455743E-04 8.9455625E-05 -4.2452993E-05 -1.7141084E-05 4.2345926E-06 2 1.4755889E+07 1.9462187E-03 -8.0012003E-04 3.8871545E-04 1.9912352E-04 -9.4477543E-05 -3.8139872E-05 9.4136614E-06 3 4.7962438E+06 3.6353242E-03 -1.4974336E-03 7.2762975E-04 3.7306195E-04 -1.7707383E-04 -7.1504475E-05 1.7673804E-05 4 1.6931776E+06 6.4126392E-03 -2.6547079E-03 1.2912443E-03 6.6144302E-04 -3.1382874E-04 -1.2667924E-04 3.1251889E-05 5 6.3800494E+05 1.1164205E-02 -4.6509635E-03 2.2640693E-03 1.1616307E-03 -5.5147220E-04 -2.2272035E-04 5.5074252E-05 6 2.5085475E+05 1.9329769E-02 -8.1464725E-03 3.9755648E-03 2.0373442E-03 -9.6685965E-04 -3.9024827E-04 9.6241583E-05 7 1.0253048E+05 3.3684163E-02 -1.4409590E-02 7.0475173E-03 3.6206698E-03 -1.7190068E-03 -6.9422210E-04 1.7170902E-04 8 4.3324751E+04 5.9194864E-02 -2.5921611E-02 1.2745641E-02 6.5414379E-03 -3.1079789E-03 -1.2548929E-03 3.0943909E-04 9 1.8883306E+04 1.0391568E-01 -4.6969103E-02 2.3199608E-02 1.1953784E-02 -5.6767210E-03 -2.2925952E-03 5.6720864E-04 10 8.4668678E+03 1.7557048E-01 -8.3719312E-02 4.1840398E-02 2.1524101E-02 -1.0236687E-02 -4.1339763E-03 1.0190345E-03 11 3.8974480E+03 2.6364223E-01 -1.3697601E-01 6.9435866E-02 3.6094970E-02 -1.7166542E-02 -6.9345032E-03 1.7168747E-03 12 1.8382356E+03 3.0114002E-01 -1.7863989E-01 9.3573465E-02 4.8533795E-02 -2.3175668E-02 -9.3651980E-03 2.3042387E-03 13 8.8536603E+02 2.0056816E-01 -9.8444244E-02 4.7345512E-02 2.4890872E-02 -1.1739170E-02 -4.7440826E-03 1.1920528E-03 14 4.2155307E+02 4.6195176E-02 2.4191447E-01 -1.8931863E-01 -1.1128070E-01 5.4308450E-02 2.2084533E-02 -5.5090252E-03 15 2.1290435E+02 -1.8146037E-03 5.4563788E-01 -5.4803104E-01 -3.3382440E-01 1.6683064E-01 6.8079434E-02 -1.6721891E-02 16 1.1005381E+02 1.2786344E-03 3.3280961E-01 -3.3892913E-01 -2.3303688E-01 1.1823592E-01 4.8523586E-02 -1.2245997E-02 17 5.3965406E+01 -9.2602616E-04 4.3499905E-02 6.4688438E-01 7.0544646E-01 -4.0455333E-01 -1.7036037E-01 4.2819916E-02 18 2.8566819E+01 4.8390949E-04 -3.0379972E-03 6.7633465E-01 8.9289137E-01 -5.5754620E-01 -2.3968294E-01 5.8775291E-02 19 1.3268951E+01 -2.7767544E-04 1.1159968E-03 9.8759685E-02 -6.4306368E-01 6.0539771E-01 2.8280805E-01 -6.9399016E-02 20 7.0040811E+00 1.4628805E-04 -6.7244939E-04 -8.4675009E-03 -8.8303898E-01 1.0987702E+00 5.6732481E-01 -1.4775917E-01 21 2.7630508E+00 -6.6999019E-05 2.6437639E-04 2.9208280E-03 -8.6397569E-02 -7.4303801E-01 -5.7896783E-01 1.6166499E-01 22 1.4215454E+00 3.3127606E-05 -1.2586394E-04 -1.4850332E-03 1.3823121E-02 -8.0615288E-01 -7.5764335E-01 2.0568993E-01 23 4.3735660E-01 -1.0707276E-05 4.0004698E-05 4.1073187E-04 -3.1348963E-03 -4.5160904E-02 7.8949559E-01 -2.6900195E-01 24 1.9008543E-01 4.5104162E-06 -1.8161352E-05 -1.7134954E-04 1.3116742E-03 8.7423160E-03 6.0520118E-01 -3.8455006E-01 25 3.0289608E-02 -1.2587693E-06 4.8308078E-06 4.8446588E-05 -3.4200793E-04 -1.8988216E-03 1.6756189E-02 7.0961432E-01 26 1.3992651E-02 6.4565098E-07 -2.5310142E-06 -2.5667839E-05 1.7943446E-04 9.8286119E-04 -5.8395246E-03 4.5176691E-01 2p 3p 4p 5p 6p 7p 1 2.2332924E+07 2.3888679E-05 -1.2394288E-05 6.3511677E-06 -2.8712883E-06 1.0166024E-06 -1.7845233E-07 2 4.4021223E+06 8.2032698E-05 -4.2616478E-05 2.1777260E-05 -9.9023292E-06 3.4934699E-06 -6.1126661E-07 3 1.0618564E+06 2.3544689E-04 -1.2275436E-04 6.2978056E-05 -2.8469373E-05 1.0082370E-05 -1.7701438E-06 4 2.9148845E+05 6.4123169E-04 -3.3554485E-04 1.7174952E-04 -7.8128542E-05 2.7565722E-05 -4.8235445E-06 5 8.8478251E+04 1.7414268E-03 -9.1737019E-04 4.7154779E-04 -2.1333510E-04 7.5544784E-05 -1.3260359E-05 6 2.9288618E+04 4.8405225E-03 -2.5686545E-03 1.3194635E-03 -6.0047748E-04 2.1195652E-04 -3.7101700E-05 7 1.0523575E+04 1.3960816E-02 -7.4977751E-03 3.8693030E-03 -1.7530095E-03 6.2070041E-04 -1.0891614E-04 8 4.0933375E+03 4.0409613E-02 -2.2043180E-02 1.1403028E-02 -5.1973867E-03 1.8356107E-03 -3.2140456E-04 9 1.7123975E+03 1.0851144E-01 -6.0979681E-02 3.1814727E-02 -1.4449950E-02 5.1187590E-03 -8.9816552E-04 10 7.6202584E+02 2.4061177E-01 -1.4100295E-01 7.4292587E-02 -3.4046921E-02 1.2030738E-02 -2.1061480E-03 11 3.5606311E+02 3.7530230E-01 -2.3078174E-01 1.2340340E-01 -5.6207549E-02 1.9962527E-02 -3.5067932E-03 12 1.7250288E+02 3.1731471E-01 -1.3471282E-01 5.9719594E-02 -2.6801308E-02 9.2485927E-03 -1.6005590E-03 13 8.4658182E+01 9.7228576E-02 3.1216251E-01 -2.5759796E-01 1.3293036E-01 -4.7617849E-02 8.3108539E-03 14 4.3252664E+01 3.0442443E-03 5.7823755E-01 -5.0227195E-01 2.5237224E-01 -9.2139542E-02 1.6290359E-02 15 2.1991958E+01 1.2265470E-03 2.4083081E-01 7.3747238E-02 -7.6024051E-02 3.2833234E-02 -6.0520137E-03 16 1.1085626E+01 -7.9751929E-04 1.6415006E-02 7.1830302E-01 -5.8430527E-01 2.2617202E-01 -3.9497231E-02 17 5.6191807E+00 3.5531015E-04 1.8590999E-03 3.7125125E-01 -1.8630696E-01 7.0862849E-02 -1.3253185E-02 18 2.5991449E+00 -1.5717209E-04 -8.0595704E-04 2.9662730E-02 7.2694286E-01 -4.1780978E-01 7.7360120E-02 19 1.2092092E+00 7.0223595E-05 2.5509622E-04 -3.3672609E-04 4.9259937E-01 -2.3644378E-01 4.0346148E-02 20 4.1867130E-01 -2.2150191E-05 -9.4359872E-05 7.1560558E-05 3.6467387E-02 6.1175300E-01 -1.2049051E-01 21 1.5867990E-01 8.0697011E-06 3.4589337E-05 -3.8934352E-05 -3.2959271E-03 5.6660218E-01 -1.7409658E-01 22 2.6432483E-02 -2.2216927E-06 -9.5271276E-06 9.9595117E-06 7.4012236E-04 3.9500951E-02 5.0022768E-01 23 1.0851686E-02 1.1242109E-06 4.8052568E-06 -4.7578203E-06 -3.7682827E-04 -1.3715961E-02 5.9044265E-01 3d 4d 5d 1 1.5475567E+04 2.5754896E-04 -1.4051470E-04 5.6500849E-05 2 3.8983314E+03 1.9329526E-03 -1.0550973E-03 4.2466982E-04 3 1.3583963E+03 1.0954737E-02 -6.0398799E-03 2.4334580E-03 4 5.5935643E+02 4.6444861E-02 -2.5851023E-02 1.0448465E-02 5 2.5426851E+02 1.4410086E-01 -8.2008112E-02 3.3257941E-02 6 1.2320603E+02 3.0580926E-01 -1.7403078E-01 7.0713119E-02 7 6.2057429E+01 3.9741850E-01 -2.0462218E-01 8.0575071E-02 8 3.1898116E+01 2.5033450E-01 3.9003055E-02 -3.6918694E-02 9 1.6241360E+01 5.7090214E-02 4.3590561E-01 -2.3098086E-01 10 8.2156309E+00 2.4606596E-03 4.7732001E-01 -2.2914269E-01 11 4.0362738E+00 4.2551342E-04 1.5692545E-01 1.9547184E-01 12 1.9309074E+00 -1.2852594E-04 8.1570790E-03 5.6131305E-01 13 8.7172848E-01 4.8380798E-05 7.6660386E-04 3.7595969E-01 14 3.4344862E-01 -1.0986005E-05 -2.8798512E-04 6.1526971E-02 4f 1 6.4166416E+02 1.8270338E-03 2 2.1726779E+02 1.5723603E-02 3 9.1635026E+01 7.1118547E-02 4 4.2375982E+01 2.0060956E-01 5 2.0514028E+01 3.5087664E-01 6 9.9765878E+00 3.8471435E-01 7 4.7348711E+00 2.2913236E-01 8 2.0650807E+00 4.9458816E-02 ** Ra 226 ** Large component functions ------------------------- 1s 2s 3s 4s 5s 6s 7s 1 5.6763728E+07 3.6020667E-04 -1.4626827E-04 7.1017376E-05 3.6473923E-05 -1.7480999E-05 7.3485195E-06 2.1453589E-06 2 1.4747363E+07 8.6078141E-04 -3.5112002E-04 1.7063453E-04 8.7637335E-05 -4.2006399E-05 1.7658829E-05 5.1552203E-06 3 4.8145849E+06 1.7676031E-03 -7.2480531E-04 3.5245858E-04 1.8111169E-04 -8.6808965E-05 3.6492540E-05 1.0654046E-05 4 1.7081469E+06 3.4046628E-03 -1.4078778E-03 6.8582377E-04 3.5239143E-04 -1.6893944E-04 7.1022799E-05 2.0733580E-05 5 6.4698808E+05 6.5389918E-03 -2.7325333E-03 1.3327481E-03 6.8548443E-04 -3.2861235E-04 1.3814515E-04 4.0333314E-05 6 2.5555834E+05 1.2511585E-02 -5.3051128E-03 2.5955103E-03 1.3346921E-03 -6.4007459E-04 2.6911264E-04 7.8558783E-05 7 1.0486877E+05 2.4093043E-02 -1.0396083E-02 5.0958953E-03 2.6252657E-03 -1.2588401E-03 5.2922647E-04 1.5452622E-04 8 4.4457253E+04 4.6372067E-02 -2.0481170E-02 1.0092317E-02 5.1963616E-03 -2.4933948E-03 1.0484728E-03 3.0604686E-04 9 1.9428038E+04 8.7766798E-02 -3.9971764E-02 1.9765405E-02 1.0212025E-02 -4.8989714E-03 2.0597258E-03 6.0149034E-04 10 8.7291409E+03 1.5695273E-01 -7.5124684E-02 3.7584413E-02 1.9406412E-02 -9.3228456E-03 3.9214392E-03 1.1445124E-03 11 4.0245291E+03 2.4602579E-01 -1.2759007E-01 6.4585327E-02 3.3623646E-02 -1.6150953E-02 6.7920992E-03 1.9840997E-03 12 1.9003687E+03 2.9191712E-01 -1.7090238E-01 8.9230452E-02 4.6406637E-02 -2.2371277E-02 9.4185853E-03 2.7475521E-03 13 9.1610272E+02 2.0305317E-01 -9.8424642E-02 4.6903832E-02 2.4556817E-02 -1.1695409E-02 4.9044169E-03 1.4379061E-03 14 4.3723656E+02 5.0521285E-02 2.3171852E-01 -1.8262414E-01 -1.0767584E-01 5.3159109E-02 -2.2483995E-02 -6.5871363E-03 15 2.2099401E+02 -8.3118031E-04 5.3888169E-01 -5.3897814E-01 -3.2916756E-01 1.6600384E-01 -7.0628796E-02 -2.0616835E-02 16 1.1430094E+02 1.4032398E-03 3.3764152E-01 -3.4567029E-01 -2.3707462E-01 1.2184017E-01 -5.1952945E-02 -1.5284356E-02 17 5.6073523E+01 -8.7354221E-04 4.5751121E-02 6.3416566E-01 6.9271848E-01 -4.0251568E-01 1.7645988E-01 5.2033619E-02 18 2.9724560E+01 5.0101316E-04 -3.0042413E-03 6.8251347E-01 9.0572875E-01 -5.7101983E-01 2.5676281E-01 7.5401826E-02 19 1.3873629E+01 -2.7825454E-04 1.1791181E-03 1.0300710E-01 -6.2250090E-01 5.9255168E-01 -2.9081195E-01 -8.6258463E-02 20 7.3565026E+00 1.5943732E-04 -7.1051349E-04 -8.7831798E-03 -8.9750210E-01 1.1348462E+00 -6.1246007E-01 -1.8707625E-01 21 2.9512659E+00 -7.3933701E-05 3.0415803E-04 3.1714750E-03 -9.3500073E-02 -7.1180129E-01 5.8168195E-01 1.8958339E-01 22 1.5416760E+00 3.8878035E-05 -1.4804611E-04 -1.6680561E-03 1.5196545E-02 -8.4102949E-01 8.4388179E-01 2.8663804E-01 23 5.0121187E-01 -1.3403077E-05 5.1236546E-05 5.2055787E-04 -3.7728277E-03 -5.4097267E-02 -7.6866859E-01 -3.4348941E-01 24 2.3305583E-01 6.3156596E-06 -2.4485154E-05 -2.3570473E-04 1.6908727E-03 1.0933252E-02 -6.5827786E-01 -4.7248045E-01 25 4.8446909E-02 -1.6958230E-06 6.5170555E-06 6.3767321E-05 -4.2479139E-04 -2.2179474E-03 -2.0700024E-02 6.8434005E-01 26 2.0497331E-02 7.5491751E-07 -2.8944542E-06 -2.8446936E-05 1.8767107E-04 9.5106377E-04 6.1838644E-03 5.3812781E-01 2p 3p 4p 5p 6p 7p 1 2.3529154E+07 2.6087858E-05 -1.3669287E-05 7.0275814E-06 -3.2280655E-06 1.2145905E-06 -3.0423916E-07 2 4.7278472E+06 8.4706828E-05 -4.4400592E-05 2.2825943E-05 -1.0488854E-05 3.9462406E-06 -9.8845038E-07 3 1.1541482E+06 2.2622967E-04 -1.1872359E-04 6.1065717E-05 -2.8046985E-05 1.0553620E-05 -2.6436007E-06 4 3.1941181E+05 5.7512678E-04 -3.0242009E-04 1.5556997E-04 -7.1526289E-05 2.6909341E-05 -6.7400270E-06 5 9.7462332E+04 1.4821161E-03 -7.8295987E-04 4.0345593E-04 -1.8527214E-04 6.9729162E-05 -1.7467670E-05 6 3.2344967E+04 4.0482365E-03 -2.1528806E-03 1.1102089E-03 -5.1117725E-04 1.9230699E-04 -4.8164783E-05 7 1.1621319E+04 1.1798518E-02 -6.3466405E-03 3.2859365E-03 -1.5093340E-03 5.6828167E-04 -1.4237275E-04 8 4.5112639E+03 3.5009635E-02 -1.9116120E-02 9.9191942E-03 -4.5781102E-03 1.7225585E-03 -4.3141148E-04 9 1.8817437E+03 9.6718062E-02 -5.4294369E-02 2.8420592E-02 -1.3078291E-02 4.9275903E-03 -1.2346767E-03 10 8.3500810E+02 2.2218173E-01 -1.2980629E-01 6.8502581E-02 -3.1794370E-02 1.1970126E-02 -2.9978239E-03 11 3.8917853E+02 3.6362862E-01 -2.2309255E-01 1.1974424E-01 -5.5256476E-02 2.0857640E-02 -5.2282551E-03 12 1.8823456E+02 3.3169647E-01 -1.5624245E-01 7.3527786E-02 -3.3811069E-02 1.2591656E-02 -3.1451694E-03 13 9.2049100E+01 1.1435153E-01 2.6962456E-01 -2.2495443E-01 1.1811770E-01 -4.5277278E-02 1.1349055E-02 14 4.6770533E+01 4.3914860E-03 5.8676237E-01 -5.1393220E-01 2.6246249E-01 -1.0160940E-01 2.5557564E-02 15 2.3718537E+01 1.7737208E-03 2.6917062E-01 2.0695302E-02 -4.4209417E-02 2.1396660E-02 -5.5571928E-03 16 1.1825884E+01 -1.1400505E-03 2.1247445E-02 7.2023965E-01 -5.9526562E-01 2.4864454E-01 -6.2806566E-02 17 5.9662135E+00 5.5602076E-04 1.6091512E-03 3.9513693E-01 -2.1199022E-01 8.2845168E-02 -2.1095760E-02 18 2.7145580E+00 -2.6317917E-04 -7.4739110E-04 3.2347379E-02 7.5080780E-01 -4.6129593E-01 1.2190220E-01 19 1.2629770E+00 1.3004279E-04 2.7172386E-04 -9.4550193E-04 4.7713260E-01 -2.5902284E-01 6.6932482E-02 20 4.8711700E-01 -5.1295046E-05 -1.2151881E-04 2.4502056E-04 3.2677845E-02 6.0777081E-01 -1.8670404E-01 21 2.0047011E-01 2.0551425E-05 4.9168147E-05 -1.0484088E-04 -9.9230326E-04 5.7610917E-01 -2.5310299E-01 22 4.8989894E-02 -6.3966328E-06 -1.5492253E-05 3.2904263E-05 5.5324572E-05 5.2941970E-02 4.7943882E-01 23 1.8916835E-02 2.6799505E-06 6.4398055E-06 -1.2553096E-05 -4.7985530E-05 -9.9760627E-03 6.5117356E-01 3d 4d 5d 1 1.6831797E+04 2.1392056E-04 -1.1731661E-04 4.8329974E-05 2 4.2210633E+03 1.6675499E-03 -9.1599474E-04 3.7759196E-04 3 1.4653175E+03 9.7178813E-03 -5.3885892E-03 2.2250918E-03 4 6.0192100E+02 4.2196964E-02 -2.3601694E-02 9.7670547E-03 5 2.7323605E+02 1.3403998E-01 -7.6647130E-02 3.1858065E-02 6 1.3237823E+02 2.9282802E-01 -1.6772776E-01 6.9784743E-02 7 6.6706580E+01 3.9595854E-01 -2.0872411E-01 8.4803352E-02 8 3.4371261E+01 2.6481932E-01 1.2953732E-02 -2.5677727E-02 9 1.7577137E+01 6.6182723E-02 4.1397418E-01 -2.2596104E-01 10 8.9370834E+00 3.2526157E-03 4.9047659E-01 -2.4952953E-01 11 4.4416937E+00 5.1827018E-04 1.7669100E-01 1.6424561E-01 12 2.1460241E+00 -1.6513333E-04 1.1685533E-02 5.6209223E-01 13 9.8337058E-01 6.4421500E-05 6.4048910E-04 3.9401800E-01 14 3.9891072E-01 -1.5161359E-05 -2.6351723E-04 6.5332381E-02 4f 1 6.7455714E+02 1.7200589E-03 2 2.2828283E+02 1.5067320E-02 3 9.6324777E+01 6.9097331E-02 4 4.4593407E+01 1.9719279E-01 5 2.1633560E+01 3.4892204E-01 6 1.0556316E+01 3.8593945E-01 7 5.0356025E+00 2.3087365E-01 8 2.2153739E+00 4.9561918E-02 Pseudo-large component functions -------------------------------- 1s 2s 3s 4s 5s 6s 7s 1 5.6763728E+07 8.5064084E-06 -3.4435396E-06 1.6706479E-06 8.5817252E-07 -4.1125323E-07 1.7287276E-07 5.0472135E-08 2 1.4747363E+07 5.6520017E-05 -2.2888518E-05 1.1112310E-05 5.7039017E-06 -2.7339888E-06 1.1493383E-06 3.3551158E-07 3 4.8145849E+06 1.9594488E-04 -7.9397604E-05 3.8520720E-05 1.9791457E-05 -9.4841160E-06 3.9866439E-06 1.1639862E-06 4 1.7081469E+06 6.2250466E-04 -2.5258143E-04 1.2269581E-04 6.2968452E-05 -3.0184725E-05 1.2689716E-05 3.7041597E-06 5 6.4698808E+05 1.7842388E-03 -7.2506423E-04 3.5187955E-04 1.8085941E-04 -8.6665445E-05 3.6429138E-05 1.0636806E-05 6 2.5555834E+05 4.8814291E-03 -1.9908071E-03 9.6818343E-04 4.9686549E-04 -2.3821018E-04 1.0014808E-04 2.9232010E-05 7 1.0486877E+05 1.2582804E-02 -5.1599498E-03 2.5077691E-03 1.2898702E-03 -6.1811015E-04 2.5981666E-04 7.5867562E-05 8 4.4457253E+04 3.0683774E-02 -1.2733809E-02 6.2150987E-03 3.1910843E-03 -1.5303701E-03 6.4345183E-04 1.8780399E-04 9 1.9428038E+04 6.9480819E-02 -2.9461036E-02 1.4404897E-02 7.4247989E-03 -3.5590799E-03 1.4960997E-03 4.3691473E-04 10 8.7291409E+03 1.4154919E-01 -6.2721910E-02 3.1026994E-02 1.5971603E-02 -7.6676238E-03 3.2247469E-03 9.4110416E-04 11 4.0245291E+03 2.4247961E-01 -1.1626793E-01 5.8212477E-02 3.0233015E-02 -1.4511915E-02 6.1018135E-03 1.7824794E-03 12 1.9003687E+03 3.0461699E-01 -1.6563976E-01 8.5766470E-02 4.4513995E-02 -2.1448259E-02 9.0289486E-03 2.6337954E-03 13 9.1610272E+02 2.1902520E-01 -1.0251597E-01 4.9722782E-02 2.6139867E-02 -1.2474970E-02 5.2343661E-03 1.5342282E-03 14 4.3723656E+02 5.5499402E-02 2.2508771E-01 -1.7454212E-01 -1.0262306E-01 5.0617775E-02 -2.1404576E-02 -6.2713415E-03 15 2.2099401E+02 -9.6049228E-04 5.4153079E-01 -5.3448632E-01 -3.2555764E-01 1.6407478E-01 -6.9797074E-02 -2.0373343E-02 16 1.1430094E+02 1.5805728E-03 3.4204138E-01 -3.4870791E-01 -2.3932083E-01 1.2304002E-01 -5.2472208E-02 -1.5436287E-02 17 5.6073523E+01 -9.9089681E-04 4.6699231E-02 6.3223579E-01 6.8837190E-01 -3.9967891E-01 1.7518912E-01 5.1658552E-02 18 2.9724560E+01 5.7897160E-04 -3.2158383E-03 6.8515321E-01 9.0702818E-01 -5.7169448E-01 2.5704334E-01 7.5484160E-02 19 1.3873629E+01 -3.2763325E-04 1.3292027E-03 1.0309343E-01 -6.2185949E-01 5.9128762E-01 -2.9010988E-01 -8.6045682E-02 20 7.3565026E+00 1.9079433E-04 -8.1943958E-04 -8.5790481E-03 -8.9818447E-01 1.1350597E+00 -6.1254797E-01 -1.8710089E-01 21 2.9512659E+00 -9.2137765E-05 3.8017198E-04 3.0110985E-03 -9.3665179E-02 -7.1156487E-01 5.8138388E-01 1.8948077E-01 22 1.5416760E+00 5.0554769E-05 -2.0266879E-04 -1.5478031E-03 1.5263017E-02 -8.4127555E-01 8.4398582E-01 2.8667109E-01 23 5.0121187E-01 -1.9304651E-05 8.3480014E-05 4.4625336E-04 -3.8069819E-03 -5.4067945E-02 -7.6867791E-01 -3.4347821E-01 24 2.3305583E-01 1.0068336E-05 -4.6631292E-05 -1.8366152E-04 1.7135443E-03 1.0907771E-02 -6.5828644E-01 -4.7248120E-01 25 4.8446909E-02 -3.6802452E-06 1.9441964E-05 3.2698040E-05 -4.3754889E-04 -2.2021078E-03 -2.0708000E-02 6.8433661E-01 26 2.0497331E-02 2.1477364E-06 -1.2288350E-05 -5.6945379E-06 1.9683465E-04 9.3936094E-04 6.1893885E-03 5.3813114E-01 2p 3p 4p 5p 6p 7p 1 2.3529154E+07 2.7246829E-07 -1.4306492E-07 7.3658123E-08 -3.3757557E-08 1.2708670E-08 -3.1840653E-09 2 4.7278472E+06 2.2079145E-06 -1.1595569E-06 5.9576710E-07 -2.7452760E-07 1.0322727E-07 -2.5849994E-08 3 1.1541482E+06 1.3063011E-05 -6.8868470E-06 3.5501299E-06 -1.6263339E-06 6.1238397E-07 -1.5343851E-07 4 3.1941181E+05 6.9823959E-05 -3.6869395E-05 1.8964810E-05 -8.7451200E-06 3.2882487E-06 -8.2341374E-07 5 9.7462332E+04 3.5119913E-04 -1.8642538E-04 9.6255748E-05 -4.4116946E-05 1.6612924E-05 -4.1625239E-06 6 3.2344967E+04 1.6613136E-03 -8.8470633E-04 4.5607795E-04 -2.1033152E-04 7.9101553E-05 -1.9808827E-05 7 1.1621319E+04 7.1553330E-03 -3.8424547E-03 1.9892414E-03 -9.1275687E-04 3.4372812E-04 -8.6122167E-05 8 4.5112639E+03 2.7003091E-02 -1.4670415E-02 7.6011964E-03 -3.5090431E-03 1.3200727E-03 -3.3059133E-04 9 1.8817437E+03 8.5223973E-02 -4.7547298E-02 2.4854835E-02 -1.1429933E-02 4.3065049E-03 -1.0790766E-03 10 8.3500810E+02 2.0981263E-01 -1.2186058E-01 6.4215822E-02 -2.9799656E-02 1.1217953E-02 -2.8093843E-03 11 3.8917853E+02 3.5537958E-01 -2.1721906E-01 1.1651917E-01 -5.3755090E-02 2.0290838E-02 -5.0862148E-03 12 1.8823456E+02 3.2837178E-01 -1.5545432E-01 7.3508327E-02 -3.3849115E-02 1.2610371E-02 -3.1500010E-03 13 9.2049100E+01 1.1106545E-01 2.6798219E-01 -2.2275136E-01 1.1689043E-01 -4.4799413E-02 1.1228983E-02 14 4.6770533E+01 8.0208524E-04 5.8735916E-01 -5.1339754E-01 2.6212042E-01 -1.0147195E-01 2.5522856E-02 15 2.3718537E+01 -1.5833367E-03 2.7006562E-01 1.9419146E-02 -4.3327526E-02 2.1034622E-02 -5.4656276E-03 16 1.1825884E+01 -3.7701138E-03 2.1381566E-02 7.1976543E-01 -5.9467923E-01 2.4838410E-01 -6.2740307E-02 17 5.9662135E+00 -1.9772484E-03 1.6937314E-03 3.9497364E-01 -2.1205205E-01 8.2903264E-02 -2.1111293E-02 18 2.7145580E+00 -2.3544720E-03 -6.9362728E-04 3.1995330E-02 7.5083292E-01 -4.6123683E-01 1.2188494E-01 19 1.2629770E+00 -1.8386155E-03 3.3232581E-04 -1.2905735E-03 4.7726079E-01 -2.5908163E-01 6.6947985E-02 20 4.8711700E-01 -1.6848083E-03 -7.6421852E-05 -4.6846612E-05 3.2723974E-02 6.0772812E-01 -1.8668970E-01 21 2.0047011E-01 -1.5423349E-03 9.5492814E-05 -3.7990982E-04 -9.4439811E-04 5.7608262E-01 -2.5309489E-01 22 4.8989894E-02 -1.4219285E-03 2.4747574E-05 -2.1881172E-04 9.4096699E-05 5.2912796E-02 4.7944331E-01 23 1.8916835E-02 -8.9708897E-04 3.2862071E-05 -1.7114213E-04 -2.0837260E-05 -9.9959327E-03 6.5117814E-01 3d 4d 5d 1 1.6831797E+04 9.5019917E-05 -5.2204250E-05 2.1511787E-05 2 4.2210633E+03 1.2000005E-03 -6.5831936E-04 2.7130778E-04 3 1.4653175E+03 8.4158597E-03 -4.6613763E-03 1.9243332E-03 4 6.0192100E+02 3.9546810E-02 -2.2086717E-02 9.1372491E-03 5 2.7323605E+02 1.3019258E-01 -7.4361034E-02 3.0900701E-02 6 1.3237823E+02 2.8918744E-01 -1.6552409E-01 6.8857990E-02 7 6.6706580E+01 3.9406532E-01 -2.0778957E-01 8.4443010E-02 8 3.4371261E+01 2.6426486E-01 1.2464627E-02 -2.5353008E-02 9 1.7577137E+01 6.5711286E-02 4.1338815E-01 -2.2557641E-01 10 8.9370834E+00 2.9040371E-03 4.9034040E-01 -2.4946189E-01 11 4.4416937E+00 2.7743829E-04 1.7665472E-01 1.6409817E-01 12 2.1460241E+00 -2.9998140E-04 1.1606612E-02 5.6202175E-01 13 9.8337058E-01 -1.9460894E-05 6.0066543E-04 3.9400219E-01 14 3.9891072E-01 -7.9962410E-05 -3.0222868E-04 6.5310498E-02 4f 1 6.7455714E+02 1.5624998E-03 2 2.2828283E+02 1.4574603E-02 3 9.6324777E+01 6.8145338E-02 4 4.4593407E+01 1.9607255E-01 5 2.1633560E+01 3.4809471E-01 6 1.0556316E+01 3.8557403E-01 7 5.0356025E+00 2.3077354E-01 8 2.2153739E+00 4.9509133E-02 Foldy-Wouthuysen functions -------------------------- 1s 2s 3s 4s 5s 6s 7s 1 5.6763728E+07 9.2923447E-04 -3.8315040E-04 1.8632948E-04 9.5758117E-05 -4.5901633E-05 1.9297704E-05 5.6342206E-06 2 1.4747363E+07 2.0545046E-03 -8.4890508E-04 4.1297784E-04 2.1216949E-04 -1.0167065E-04 4.2741912E-05 1.2475352E-05 3 4.8145849E+06 3.8138899E-03 -1.5789978E-03 7.6834604E-04 3.9503358E-04 -1.8940344E-04 7.9630753E-05 2.3253238E-05 4 1.7081469E+06 6.6822799E-03 -2.7806080E-03 1.3543338E-03 6.9581922E-04 -3.3340796E-04 1.4016143E-04 4.0903426E-05 5 6.4698808E+05 1.1558632E-02 -4.8405063E-03 2.3597431E-03 1.2140613E-03 -5.8224184E-04 2.4480912E-04 7.1499444E-05 6 2.5555834E+05 1.9879681E-02 -8.4230354E-03 4.1162462E-03 2.1157822E-03 -1.0139802E-03 4.2625504E-04 1.2437971E-04 7 1.0486877E+05 3.4403297E-02 -1.4798419E-02 7.2484781E-03 3.7342021E-03 -1.7910890E-03 7.5302889E-04 2.1994542E-04 8 4.4457253E+04 6.0010239E-02 -2.6427277E-02 1.3013106E-02 6.6989836E-03 -3.2140830E-03 1.3516453E-03 3.9441373E-04 9 1.9428038E+04 1.0455854E-01 -4.7529324E-02 2.3512870E-02 1.2148642E-02 -5.8286278E-03 2.4505184E-03 7.1584628E-04 10 8.7291409E+03 1.7548630E-01 -8.4105711E-02 4.2094402E-02 2.1721878E-02 -1.0432102E-02 4.3881932E-03 1.2804135E-03 11 4.0245291E+03 2.6235411E-01 -1.3677287E-01 6.9421419E-02 3.6182735E-02 -1.7386819E-02 7.3108601E-03 2.1359276E-03 12 1.9003687E+03 2.9960024E-01 -1.7748998E-01 9.3000540E-02 4.8380187E-02 -2.3321597E-02 9.8192606E-03 2.8641225E-03 13 9.1610272E+02 2.0083729E-01 -9.7680627E-02 4.6781455E-02 2.4591274E-02 -1.1735462E-02 4.9254590E-03 1.4451298E-03 14 4.3723656E+02 4.7153313E-02 2.3878293E-01 -1.8742556E-01 -1.1046663E-01 5.4541433E-02 -2.3071393E-02 -6.7602239E-03 15 2.2099401E+02 -1.6851462E-03 5.4300765E-01 -5.4443559E-01 -3.3274951E-01 1.6786658E-01 -7.1431070E-02 -2.0850872E-02 16 1.1430094E+02 1.2571470E-03 3.3620818E-01 -3.4431049E-01 -2.3658996E-01 1.2161505E-01 -5.1853693E-02 -1.5255679E-02 17 5.6073523E+01 -9.2662514E-04 4.5023000E-02 6.3747667E-01 6.9625482E-01 -4.0456737E-01 1.7736292E-01 5.2300499E-02 18 2.9724560E+01 4.8888857E-04 -3.2049496E-03 6.8233905E-01 9.0580261E-01 -5.7119731E-01 2.5685503E-01 7.5427916E-02 19 1.3873629E+01 -2.8731671E-04 1.2194498E-03 1.0259647E-01 -6.2381969E-01 5.9365806E-01 -2.9135060E-01 -8.6418938E-02 20 7.3565026E+00 1.5495259E-04 -7.3972629E-04 -8.8337276E-03 -8.9746417E-01 1.1349238E+00 -6.1252485E-01 -1.8709692E-01 21 2.9512659E+00 -7.4511898E-05 3.0566897E-04 3.1991038E-03 -9.3355426E-02 -7.1215479E-01 5.8192540E-01 1.8966118E-01 22 1.5416760E+00 3.8555596E-05 -1.5283681E-04 -1.6827384E-03 1.5191452E-02 -8.4098192E-01 8.4385750E-01 2.8663166E-01 23 5.0121187E-01 -1.3781739E-05 5.3816439E-05 5.1804831E-04 -3.7835384E-03 -5.4072548E-02 -7.6871496E-01 -3.4350861E-01 24 2.3305583E-01 6.2872914E-06 -2.6137287E-05 -2.3420703E-04 1.6968887E-03 1.0930287E-02 -6.5826900E-01 -4.7247813E-01 25 4.8446909E-02 -1.6916417E-06 6.7229836E-06 6.3779889E-05 -4.2495847E-04 -2.2191887E-03 -2.0698124E-02 6.8434309E-01 26 2.0497331E-02 7.3138173E-07 -2.9704407E-06 -2.8623405E-05 1.8755359E-04 9.5178812E-04 6.1836366E-03 5.3812710E-01 2p 3p 4p 5p 6p 7p 1 2.3529154E+07 2.3574682E-05 -1.2257069E-05 6.3075940E-06 -2.8887585E-06 1.0877100E-06 -2.7262295E-07 2 4.7278472E+06 8.1028253E-05 -4.2189022E-05 2.1625910E-05 -9.9631260E-06 3.7452249E-06 -9.3747894E-07 3 1.1541482E+06 2.3066998E-04 -1.2050974E-04 6.2092136E-05 -2.8435259E-05 1.0708287E-05 -2.6840762E-06 4 3.1941181E+05 6.2247503E-04 -3.2640718E-04 1.6758494E-04 -7.7239726E-05 2.9037314E-05 -7.2687265E-06 5 9.7462332E+04 1.6719050E-03 -8.8235567E-04 4.5547067E-04 -2.0874504E-04 7.8612522E-05 -1.9702572E-05 6 3.2344967E+04 4.5881936E-03 -2.4391314E-03 1.2567457E-03 -5.7949457E-04 2.1791030E-04 -5.4557682E-05 7 1.1621319E+04 1.3060989E-02 -7.0244125E-03 3.6399346E-03 -1.6704808E-03 6.2915065E-04 -1.5765997E-04 8 4.5112639E+03 3.7529057E-02 -2.0491910E-02 1.0630949E-02 -4.9096270E-03 1.8470275E-03 -4.6252107E-04 9 1.8817437E+03 1.0101224E-01 -5.6736109E-02 2.9710627E-02 -1.3667688E-02 5.1500859E-03 -1.2905272E-03 10 8.3500810E+02 2.2771958E-01 -1.3319965E-01 7.0314684E-02 -3.2645807E-02 1.2290367E-02 -3.0778817E-03 11 3.8917853E+02 3.6776795E-01 -2.2609495E-01 1.2145465E-01 -5.6047221E-02 2.1157777E-02 -5.3037066E-03 12 1.8823456E+02 3.3221120E-01 -1.5637525E-01 7.3561871E-02 -3.3843590E-02 1.2602289E-02 -3.1475796E-03 13 9.2049100E+01 1.1359937E-01 2.7179678E-01 -2.2656394E-01 1.1895970E-01 -4.5598196E-02 1.1429359E-02 14 4.6770533E+01 4.2189423E-03 5.8771563E-01 -5.1499881E-01 2.6302337E-01 -1.0183174E-01 2.5613734E-02 15 2.3718537E+01 1.7623583E-03 2.6881064E-01 2.1453322E-02 -4.4635625E-02 2.1568860E-02 -5.6007582E-03 16 1.1825884E+01 -1.1427690E-03 2.1178350E-02 7.2065718E-01 -5.9568250E-01 2.4882331E-01 -6.2851981E-02 17 5.9662135E+00 5.5445868E-04 1.5879208E-03 3.9505131E-01 -2.1185444E-01 8.2787673E-02 -2.1081096E-02 18 2.7145580E+00 -2.6290735E-04 -7.4122314E-04 3.2315514E-02 7.5093655E-01 -4.6137969E-01 1.2192434E-01 19 1.2629770E+00 1.2966152E-04 2.6871493E-04 -9.4811198E-04 4.7711294E-01 -2.5900709E-01 6.6928560E-02 20 4.8711700E-01 -5.1130931E-05 -1.2074137E-04 2.4602146E-04 3.2672439E-02 6.0778946E-01 -1.8671006E-01 21 2.0047011E-01 2.0486124E-05 4.8790274E-05 -1.0520221E-04 -9.9292969E-04 5.7610820E-01 -2.5310346E-01 22 4.8989894E-02 -6.3837813E-06 -1.5348477E-05 3.2909002E-05 5.5641058E-05 5.2941128E-02 4.7944057E-01 23 1.8916835E-02 2.6746853E-06 6.3762238E-06 -1.2555367E-05 -4.8106280E-05 -9.9760226E-03 6.5117347E-01 3d 4d 5d 1 1.6831797E+04 2.4020682E-04 -1.3183165E-04 5.4349196E-05 2 4.2210633E+03 1.7836934E-03 -9.7889298E-04 4.0335025E-04 3 1.4653175E+03 1.0095594E-02 -5.5979494E-03 2.3117598E-03 4 6.0192100E+02 4.3121735E-02 -2.4118211E-02 9.9805265E-03 5 2.7323605E+02 1.3565486E-01 -7.7591444E-02 3.2252834E-02 6 1.3237823E+02 2.9460118E-01 -1.6878907E-01 7.0231490E-02 7 6.6706580E+01 3.9691425E-01 -2.0927519E-01 8.5032649E-02 8 3.4371261E+01 2.6482738E-01 1.3293813E-02 -2.5863639E-02 9 1.7577137E+01 6.6092328E-02 4.1444040E-01 -2.2621320E-01 10 8.9370834E+00 3.2361237E-03 4.9058717E-01 -2.4959424E-01 11 4.4416937E+00 5.1933000E-04 1.7665104E-01 1.6434610E-01 12 2.1460241E+00 -1.6611141E-04 1.1679628E-02 5.6214556E-01 13 9.8337058E-01 6.4725868E-05 6.3958139E-04 3.9401784E-01 14 3.9891072E-01 -1.5247699E-05 -2.6337855E-04 6.5329750E-02 4f 1 6.7455714E+02 1.7638538E-03 2 2.2828283E+02 1.5238146E-02 3 9.6324777E+01 6.9478526E-02 4 4.4593407E+01 1.9771201E-01 5 2.1633560E+01 3.4931785E-01 6 1.0556316E+01 3.8609965E-01 7 5.0356025E+00 2.3088657E-01 8 2.2153739E+00 4.9556718E-02 Exponents of correlating functions ---------------------------------- d(6s6p) d(7s7p) f(5d) g(4f) Fr 3.4344862E-01 N/A 2.0650807E+00 1.7211674E+01 Ra 3.9891072E-01 9.4846696E-02 2.2153739E+00 1.7991693E+01 Exponents of 6s6p polarizing functions -------------------------------------- s p d Fr 7.8241015E-02 6.5314192E-02 1.0698393E-01 Ra 8.4482073E-02 7.2669843E-02 1.2975291E-01