******************************************************************************************************* Li [He]2s(1) TW-Mod set18 (44s44p36d32f) Nucleus Model : Uniformly Charged Sphere Nuclear Charge = 3.0 Atomic Mass = 7.0 Nuclear Radius = 5.292062E-05 Speed of Light = 137.0359955 S+ Number of Closed Shells 1 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 = -7.43353313502906E+00 Mass Energy = -7.43353297433800E+00 Kinetic Energy = 1.48686790085287E+01 Potential Energy = -1.48686791692197E+01 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+ 2S+ -2.4779781E+00 -1.9633891E-01 ------------ ------------ *** Large-Component *** 1 5.6293810E-10 -8.7839031E-11 2 -5.6105620E-10 8.7432295E-11 3 1.6977591E-09 -2.6487901E-10 4 -5.2749463E-10 8.1012283E-11 5 3.1988478E-09 -4.9636789E-10 6 1.4218191E-09 -2.2717321E-10 7 7.2828983E-09 -1.1325578E-09 8 9.1455842E-09 -1.4360237E-09 9 2.2244828E-08 -3.4646753E-09 10 3.8621018E-08 -6.0535075E-09 11 8.0421453E-08 -1.2541459E-08 12 1.5457864E-07 -2.4185998E-08 13 3.1248117E-07 -4.8798219E-08 14 6.2082481E-07 -9.7018873E-08 15 1.2527444E-06 -1.9580990E-07 16 2.5199416E-06 -3.9360848E-07 17 5.0989080E-06 -7.9711011E-07 18 1.0313080E-05 -1.6110231E-06 19 2.0918088E-05 -3.2698177E-06 20 4.2421943E-05 -6.6282821E-06 21 8.6161287E-05 -1.3468472E-05 22 1.7492197E-04 -2.7339434E-05 23 3.5531559E-04 -5.5561924E-05 24 7.2090310E-04 -1.1276097E-04 25 1.4612417E-03 -2.2878864E-04 26 2.9521055E-03 -4.6281090E-04 27 5.9342880E-03 -9.3286550E-04 28 1.1806574E-02 -1.8639611E-03 29 2.3072802E-02 -3.6713125E-03 30 4.3640408E-02 -7.0337113E-03 31 7.8241206E-02 -1.2883577E-02 32 1.2937332E-01 -2.2047015E-02 33 1.9170259E-01 -3.4677788E-02 34 2.4330791E-01 -4.9839307E-02 35 2.3872444E-01 -6.5617955E-02 36 1.4701669E-01 -7.5325815E-02 37 4.0798372E-02 -5.8673073E-02 38 2.9418443E-03 2.5468730E-02 39 1.8996278E-04 2.0957263E-01 40 2.4002450E-04 4.0761001E-01 41 2.3426883E-04 3.6493896E-01 42 6.8767863E-05 1.1131708E-01 43 3.1940666E-06 5.0704490E-03 44 1.4089483E-07 1.2584542E-04 *** Small-Component *** 45 7.7879462E-09 -1.2170194E-09 46 3.0874947E-09 -4.8194462E-10 47 1.6057575E-08 -2.5098547E-09 48 1.6114684E-08 -2.5164843E-09 49 3.2925803E-08 -5.1468536E-09 50 4.5140855E-08 -7.0498924E-09 51 7.4175929E-08 -1.1595713E-08 52 1.1064563E-07 -1.7279069E-08 53 1.7254947E-07 -2.6975011E-08 54 2.6257372E-07 -4.1007803E-08 55 4.0431622E-07 -6.3200726E-08 56 6.1808427E-07 -9.6538704E-08 57 9.4868083E-07 -1.4828552E-07 58 1.4518844E-06 -2.2678139E-07 59 2.2264021E-06 -3.4798462E-07 60 3.4084776E-06 -5.3243796E-07 61 5.2248907E-06 -8.1660546E-07 62 7.9998954E-06 -1.2497583E-06 63 1.2260059E-05 -1.9161119E-06 64 1.8770693E-05 -2.9328144E-06 65 2.8755818E-05 -4.4945670E-06 66 4.4009018E-05 -6.8780146E-06 67 6.7357579E-05 -1.0532078E-05 68 1.0293874E-04 -1.6100276E-05 69 1.5712254E-04 -2.4599084E-05 70 2.3898912E-04 -3.7464658E-05 71 3.6164266E-04 -5.6846018E-05 72 5.4156507E-04 -8.5494185E-05 73 7.9653516E-04 -1.2673568E-04 74 1.1338137E-03 -1.8273112E-04 75 1.5297239E-03 -2.5187827E-04 76 1.9033930E-03 -3.2434871E-04 77 2.1222920E-03 -3.8389126E-04 78 2.0268390E-03 -4.1515821E-04 79 1.4963791E-03 -4.1128568E-04 80 6.9340974E-04 -3.5525613E-04 81 1.4479114E-04 -2.0821605E-04 82 7.8558427E-06 6.8004515E-05 83 3.8168391E-07 4.2106827E-04 84 3.6285586E-07 6.1622239E-04 85 2.6650088E-07 4.1513283E-04 86 5.8851670E-08 9.5279940E-05 87 2.0629528E-09 3.2656521E-06 88 6.6299443E-11 6.0960191E-08 RADIAL MOMENTS Sym Orb

S+ 1 1.48981E+01 2.68560E+00 5.73049E-01 4.46700E-01 4.42171E-01 5.32079E-01 2 4.35720E-01 3.45438E-01 3.87332E+00 1.77355E+01 9.38489E+01 5.65709E+02 ******************************************************************************************************* ******************************************************************************************************* Be [He]2s(2) TW-Mod set18 (44s44p36d32f) Nucleus Model : Uniformly Charged Sphere Nuclear Charge = 4.0 Atomic Mass = 9.0 Nuclear Radius = 5.632974E-05 Speed of Light = 137.0359955 S+ Number of Closed Shells 2 Open Shells 0 ENERGIES Total Energy = -1.45758916980673E+01 Mass Energy = -1.45758904165912E+01 Kinetic Energy = 2.91575213207804E+01 Potential Energy = -2.91575226022565E+01 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+ 2S+ -4.7334978E+00 -3.0932211E-01 ------------ ------------ *** Large-Component *** 1 1.3163326E-09 -2.3998246E-10 2 -1.1300176E-09 2.0607222E-10 3 3.8294383E-09 -6.9822512E-10 4 -8.5185418E-10 1.5573517E-10 5 7.2730717E-09 -1.3268539E-09 6 3.7155988E-09 -6.7539406E-10 7 1.6564630E-08 -3.0227295E-09 8 2.1076181E-08 -3.8381668E-09 9 4.9736557E-08 -9.0707088E-09 10 8.5815352E-08 -1.5641714E-08 11 1.7631815E-07 -3.2141789E-08 12 3.3665717E-07 -6.1379831E-08 13 6.7522881E-07 -1.2307879E-07 14 1.3356582E-06 -2.4352851E-07 15 2.6820076E-06 -4.8887967E-07 16 5.3812228E-06 -9.8114867E-07 17 1.0854804E-05 -1.9787418E-06 18 2.1923833E-05 -3.9974440E-06 19 4.4377871E-05 -8.0906708E-06 20 8.9921487E-05 -1.6397975E-05 21 1.8235424E-04 -3.3255626E-05 22 3.6990118E-04 -6.7487473E-05 23 7.5006792E-04 -1.3691130E-04 24 1.5191626E-03 -2.7759557E-04 25 3.0686369E-03 -5.6166857E-04 26 6.1671048E-03 -1.1323522E-03 27 1.2276084E-02 -2.2660460E-03 28 2.4014170E-02 -4.4744639E-03 29 4.5538341E-02 -8.6197858E-03 30 8.1983365E-02 -1.5932463E-02 31 1.3632055E-01 -2.7673183E-02 32 2.0238100E-01 -4.4417753E-02 33 2.5295384E-01 -6.5205812E-02 34 2.3373379E-01 -8.4466227E-02 35 1.2657049E-01 -8.0803743E-02 36 2.8458507E-02 -1.6854211E-02 37 1.5422534E-03 1.1566127E-01 38 -3.2983016E-05 2.7152997E-01 39 4.2208890E-05 3.6937202E-01 40 -3.5158887E-05 2.8603831E-01 41 2.4478797E-05 8.8545746E-02 42 -1.4007571E-05 5.2061171E-03 43 5.8901018E-06 1.7015908E-04 44 -1.3326822E-06 -3.4188300E-05 *** Small-Component *** 45 1.2511266E-08 -2.2803164E-09 46 1.2004367E-08 -2.1888666E-09 47 2.7141846E-08 -4.9454202E-09 48 3.9745187E-08 -7.2479404E-09 49 6.4470035E-08 -1.1745958E-08 50 9.9158391E-08 -1.8081835E-08 51 1.5369106E-07 -2.8003243E-08 52 2.3619286E-07 -4.3066839E-08 53 3.6293824E-07 -6.6134637E-08 54 5.5670394E-07 -1.0150021E-07 55 8.5355198E-07 -1.5554535E-07 56 1.3082128E-06 -2.3850364E-07 57 2.0044998E-06 -3.6530704E-07 58 3.0713303E-06 -5.5991862E-07 59 4.7050778E-06 -8.5751379E-07 60 7.2082549E-06 -1.3140748E-06 61 1.1041484E-05 -2.0124647E-06 62 1.6913586E-05 -3.0834452E-06 63 2.5903782E-05 -4.7218732E-06 64 3.9668689E-05 -7.2328490E-06 65 6.0725652E-05 -1.1072746E-05 66 9.2916368E-05 -1.6949793E-05 67 1.4203013E-04 -2.5921154E-05 68 2.1675254E-04 -3.9601208E-05 69 3.2978545E-04 -6.0353623E-05 70 4.9909183E-04 -9.1626113E-05 71 7.4797053E-04 -1.3804921E-04 72 1.1014161E-03 -2.0519557E-04 73 1.5720561E-03 -2.9753187E-04 74 2.1300139E-03 -4.1389444E-04 75 2.6653361E-03 -5.4100735E-04 76 2.9776395E-03 -6.5345267E-04 77 2.8005426E-03 -7.2183965E-04 78 1.9472094E-03 -7.0359951E-04 79 7.9342632E-04 -5.0647640E-04 80 1.3423426E-04 -7.9497354E-05 81 5.4737366E-06 4.1044527E-04 82 -8.8102185E-08 7.2504239E-04 83 8.4827736E-08 7.4213770E-04 84 -5.3165899E-08 4.3243298E-04 85 2.7854522E-08 1.0072469E-04 86 -1.1998299E-08 4.4560992E-06 87 3.7994520E-09 1.0959913E-07 88 -6.4771137E-10 -1.6571291E-08 RADIAL MOMENTS Sym Orb

S+ 1 2.77867E+01 3.68330E+00 4.14891E-01 2.32855E-01 1.65222E-01 1.41962E-01 2 1.05707E+00 5.22671E-01 2.64894E+00 8.42365E+00 3.13954E+01 1.35106E+02 *******************************************************************************************************