**************************************************************************** H 1s(1) TW-Mod set18 (44s44p36d32f) Nucleus Model : Uniformly Charged Sphere Nuclear Charge = 1.0 Atomic Mass = 1.0 Nuclear Radius = 3.430114E-05 Speed of Light = 137.0359955 S+ Number of Closed Shells 0 Open Shells 1 Conf Weight Open Shell Occupation Numbers 1 1.00000000 1.0 0.0 0.0 0.0 0.0 0.0 0.0 ENERGIES Total Energy = -5.00006656119845E-01 Mass Energy = -5.00006667091108E-01 Kinetic Energy = 1.00002664774517E+00 Potential Energy = -1.00002663677391E+00 NORMALIZED BASIS SPINORS Symmetry Exponent Param Coefficients Species Large-Component Small-Component S+ 1 2.4700000E+08 1.0000000E+00 1.0000000E+00 2 1.3984373E+08 1.0000000E+00 1.0000000E+00 3 7.9175181E+07 1.0000000E+00 1.0000000E+00 4 4.4826530E+07 1.0000000E+00 1.0000000E+00 5 2.5379390E+07 1.0000000E+00 1.0000000E+00 6 1.4369023E+07 1.0000000E+00 1.0000000E+00 7 8.1352946E+06 1.0000000E+00 1.0000000E+00 8 4.6059513E+06 1.0000000E+00 1.0000000E+00 9 2.6077466E+06 1.0000000E+00 1.0000000E+00 10 1.4764252E+06 1.0000000E+00 1.0000000E+00 11 8.3590612E+05 1.0000000E+00 1.0000000E+00 12 4.7326410E+05 1.0000000E+00 1.0000000E+00 13 2.6794744E+05 1.0000000E+00 1.0000000E+00 14 1.5170352E+05 1.0000000E+00 1.0000000E+00 15 8.5889827E+04 1.0000000E+00 1.0000000E+00 16 4.8628154E+04 1.0000000E+00 1.0000000E+00 17 2.7531751E+04 1.0000000E+00 1.0000000E+00 18 1.5587623E+04 1.0000000E+00 1.0000000E+00 19 8.8252283E+03 1.0000000E+00 1.0000000E+00 20 4.9965703E+03 1.0000000E+00 1.0000000E+00 21 2.8289030E+03 1.0000000E+00 1.0000000E+00 22 1.6016371E+03 1.0000000E+00 1.0000000E+00 23 9.0679719E+02 1.0000000E+00 1.0000000E+00 24 5.1340042E+02 1.0000000E+00 1.0000000E+00 25 2.9067138E+02 1.0000000E+00 1.0000000E+00 26 1.6456911E+02 1.0000000E+00 1.0000000E+00 27 9.3173924E+01 1.0000000E+00 1.0000000E+00 28 5.2752184E+01 1.0000000E+00 1.0000000E+00 29 2.9866649E+01 1.0000000E+00 1.0000000E+00 30 1.6909570E+01 1.0000000E+00 1.0000000E+00 31 9.5736734E+00 1.0000000E+00 1.0000000E+00 32 5.4203167E+00 1.0000000E+00 1.0000000E+00 33 3.0688151E+00 1.0000000E+00 1.0000000E+00 34 1.7374678E+00 1.0000000E+00 1.0000000E+00 35 9.8370036E-01 1.0000000E+00 1.0000000E+00 36 5.5694061E-01 1.0000000E+00 1.0000000E+00 37 3.1532248E-01 1.0000000E+00 1.0000000E+00 38 1.7852580E-01 1.0000000E+00 1.0000000E+00 39 1.0107577E-01 1.0000000E+00 1.0000000E+00 40 5.7225962E-02 1.0000000E+00 1.0000000E+00 41 3.2399564E-02 1.0000000E+00 1.0000000E+00 42 1.8343627E-02 1.0000000E+00 1.0000000E+00 43 1.0385592E-02 1.0000000E+00 1.0000000E+00 44 5.8800000E-03 1.0000000E+00 1.0000000E+00 SPINOR ENERGIES AND VECTORS 1S+ -5.0000665E-01 ------------ *** Large-Component *** 1 3.3687780E-11 2 -4.8558795E-11 3 1.1377223E-10 4 -6.5203746E-11 5 2.0686467E-10 6 4.3357602E-11 7 4.5620051E-10 8 5.3048187E-10 9 1.4238974E-09 10 2.4931446E-09 11 5.3498468E-09 12 1.0468570E-08 13 2.1427480E-08 14 4.3162974E-08 15 8.7600576E-08 16 1.7785479E-07 17 3.6080306E-07 18 7.3425718E-07 19 1.4908038E-06 20 3.0361747E-06 21 6.1693343E-06 22 1.2567018E-05 23 2.5548333E-05 24 5.2037470E-05 25 1.0580630E-04 26 2.1540559E-04 27 4.3775338E-04 28 8.8990434E-04 29 1.8043778E-03 30 3.6519212E-03 31 7.3488681E-03 32 1.4671881E-02 33 2.8826689E-02 34 5.5159881E-02 35 1.0055829E-01 36 1.6857124E-01 37 2.4325615E-01 38 2.6992213E-01 39 1.8776935E-01 40 5.7663345E-02 41 3.9434192E-03 42 1.3884959E-04 43 -4.7669362E-05 44 1.0156760E-05 *** Small-Component *** 45 1.3964759E-09 46 -1.1098224E-09 47 2.7968475E-09 48 -2.7755092E-10 49 3.6287855E-09 50 2.3212265E-09 51 6.0755762E-09 52 7.4539813E-09 53 1.2792959E-08 54 1.8644541E-08 55 2.9230045E-08 56 4.4383869E-08 57 6.8203923E-08 58 1.0449534E-07 59 1.5991716E-07 60 2.4540583E-07 61 3.7535004E-07 62 5.7601850E-07 63 8.8116680E-07 64 1.3518790E-06 65 2.0685591E-06 66 3.1725600E-06 67 4.8552676E-06 68 7.4437824E-06 69 1.1391377E-05 70 1.7453451E-05 71 2.6692649E-05 72 4.0834516E-05 73 6.2304754E-05 74 9.4888940E-05 75 1.4368394E-04 76 2.1585487E-04 77 3.1912084E-04 78 4.5947832E-04 79 6.3028734E-04 80 7.9502627E-04 81 8.6325239E-04 82 7.2075464E-04 83 3.7726628E-04 84 8.7176007E-05 85 4.4858307E-06 86 1.1885573E-07 87 -3.0707220E-08 88 4.9239631E-09 RADIAL MOMENTS Sym Orb S+ 1 2.00016E+00 1.00003E+00 1.49997E+00 2.99991E+00 7.49969E+00 2.24989E+01 *************************************************************************************** *************************************************************************************** He 1s(2) TW-Mod set18 (44s44p36d32f) Nucleus Model : Uniformly Charged Sphere Nuclear Charge = 2.0 Atomic Mass = 4.0 Nuclear Radius = 4.628134E-05 Speed of Light = 137.0359955 S+ Number of Closed Shells 1 Open Shells 0 ENERGIES Total Energy = -2.86181332282013E+00 Mass Energy = -2.86181496960566E+00 Kinetic Energy = 5.72389665778411E+00 Potential Energy = -5.72389501099858E+00 NORMALIZED BASIS SPINORS Symmetry Exponent Param Coefficients Species Large-Component Small-Component S+ 1 2.4700000E+08 1.0000000E+00 1.0000000E+00 2 1.3984373E+08 1.0000000E+00 1.0000000E+00 3 7.9175181E+07 1.0000000E+00 1.0000000E+00 4 4.4826530E+07 1.0000000E+00 1.0000000E+00 5 2.5379390E+07 1.0000000E+00 1.0000000E+00 6 1.4369023E+07 1.0000000E+00 1.0000000E+00 7 8.1352946E+06 1.0000000E+00 1.0000000E+00 8 4.6059513E+06 1.0000000E+00 1.0000000E+00 9 2.6077466E+06 1.0000000E+00 1.0000000E+00 10 1.4764252E+06 1.0000000E+00 1.0000000E+00 11 8.3590612E+05 1.0000000E+00 1.0000000E+00 12 4.7326410E+05 1.0000000E+00 1.0000000E+00 13 2.6794744E+05 1.0000000E+00 1.0000000E+00 14 1.5170352E+05 1.0000000E+00 1.0000000E+00 15 8.5889827E+04 1.0000000E+00 1.0000000E+00 16 4.8628154E+04 1.0000000E+00 1.0000000E+00 17 2.7531751E+04 1.0000000E+00 1.0000000E+00 18 1.5587623E+04 1.0000000E+00 1.0000000E+00 19 8.8252283E+03 1.0000000E+00 1.0000000E+00 20 4.9965703E+03 1.0000000E+00 1.0000000E+00 21 2.8289030E+03 1.0000000E+00 1.0000000E+00 22 1.6016371E+03 1.0000000E+00 1.0000000E+00 23 9.0679719E+02 1.0000000E+00 1.0000000E+00 24 5.1340042E+02 1.0000000E+00 1.0000000E+00 25 2.9067138E+02 1.0000000E+00 1.0000000E+00 26 1.6456911E+02 1.0000000E+00 1.0000000E+00 27 9.3173924E+01 1.0000000E+00 1.0000000E+00 28 5.2752184E+01 1.0000000E+00 1.0000000E+00 29 2.9866649E+01 1.0000000E+00 1.0000000E+00 30 1.6909570E+01 1.0000000E+00 1.0000000E+00 31 9.5736734E+00 1.0000000E+00 1.0000000E+00 32 5.4203167E+00 1.0000000E+00 1.0000000E+00 33 3.0688151E+00 1.0000000E+00 1.0000000E+00 34 1.7374678E+00 1.0000000E+00 1.0000000E+00 35 9.8370036E-01 1.0000000E+00 1.0000000E+00 36 5.5694061E-01 1.0000000E+00 1.0000000E+00 37 3.1532248E-01 1.0000000E+00 1.0000000E+00 38 1.7852580E-01 1.0000000E+00 1.0000000E+00 39 1.0107577E-01 1.0000000E+00 1.0000000E+00 40 5.7225962E-02 1.0000000E+00 1.0000000E+00 41 3.2399564E-02 1.0000000E+00 1.0000000E+00 42 1.8343627E-02 1.0000000E+00 1.0000000E+00 43 1.0385592E-02 1.0000000E+00 1.0000000E+00 44 5.8800000E-03 1.0000000E+00 1.0000000E+00 SPINOR ENERGIES AND VECTORS 1S+ -9.1798993E-01 ------------ *** Large-Component *** 1 1.7906223E-10 2 -2.1698802E-10 3 5.6827736E-10 4 -2.5391874E-10 5 1.0466364E-09 6 3.3836393E-10 7 2.3355107E-09 8 2.8179989E-09 9 7.1966877E-09 10 1.2514410E-08 11 2.6498647E-08 12 5.1265126E-08 13 1.0447394E-07 14 2.0860028E-07 15 4.2281146E-07 16 8.5319473E-07 17 1.7308082E-06 18 3.5075130E-06 19 7.1251771E-06 20 1.4467881E-05 21 2.9415858E-05 22 5.9781779E-05 23 1.2157282E-04 24 2.4705262E-04 25 5.0195860E-04 26 1.0181767E-03 27 2.0609859E-03 28 4.1518606E-03 29 8.2972279E-03 30 1.6326587E-02 31 3.1260792E-02 32 5.7092331E-02 33 9.6993576E-02 34 1.4934919E-01 35 2.0396534E-01 36 2.3775075E-01 37 2.1386504E-01 38 1.2004504E-01 39 2.9050493E-02 40 1.4847271E-03 41 4.1596433E-05 42 -1.2670865E-05 43 3.3938493E-06 44 -5.8108397E-07 *** Small-Component *** 45 4.0225385E-09 46 -9.7779021E-10 47 8.0044351E-09 48 3.3595585E-09 49 1.3174577E-08 50 1.4045427E-08 51 2.6509018E-08 52 3.7050256E-08 53 5.9637090E-08 54 8.9355196E-08 55 1.3859147E-07 56 2.1111070E-07 57 3.2456884E-07 58 4.9633848E-07 59 7.6141693E-07 60 1.1655340E-06 61 1.7868765E-06 62 2.7360583E-06 63 4.1935089E-06 64 6.4215593E-06 65 9.8397964E-06 66 1.5065789E-05 67 2.3074533E-05 68 3.5307376E-05 69 5.4006325E-05 70 8.2460396E-05 71 1.2563171E-04 72 1.9047435E-04 73 2.8646523E-04 74 4.2418992E-04 75 6.1119021E-04 76 8.3995073E-04 77 1.0737648E-03 78 1.2440913E-03 79 1.2784523E-03 80 1.1213121E-03 81 7.5896156E-04 82 3.2055218E-04 83 5.8369008E-05 84 2.2446233E-06 85 4.7343870E-08 86 -1.0866970E-08 87 2.2000201E-09 88 -2.8686305E-10 RADIAL MOMENTS Sym Orb S+ 1 5.99721E+00 1.68743E+00 9.27223E-01 1.18472E+00 1.94039E+00 3.88736E+00 ***************************************************************************************