**************************************************************************************************** H 1s(1) TW-Mod set27 (62s62p36d36f) 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 = -5.00006656126591E-01 Mass Energy = -5.00006597476167E-01 Kinetic Energy = 1.00002650807676E+00 Potential Energy = -1.00002656672719E+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 1.6540330E+08 1.0000000E+00 1.0000000E+00 3 1.1076215E+08 1.0000000E+00 1.0000000E+00 4 7.4171765E+07 1.0000000E+00 1.0000000E+00 5 4.9669047E+07 1.0000000E+00 1.0000000E+00 6 3.3260827E+07 1.0000000E+00 1.0000000E+00 7 2.2273080E+07 1.0000000E+00 1.0000000E+00 8 1.4915145E+07 1.0000000E+00 1.0000000E+00 9 9.9879120E+06 1.0000000E+00 1.0000000E+00 10 6.6883952E+06 1.0000000E+00 1.0000000E+00 11 4.4788771E+06 1.0000000E+00 1.0000000E+00 12 2.9992755E+06 1.0000000E+00 1.0000000E+00 13 2.0084618E+06 1.0000000E+00 1.0000000E+00 14 1.3449644E+06 1.0000000E+00 1.0000000E+00 15 9.0065408E+05 1.0000000E+00 1.0000000E+00 16 6.0312210E+05 1.0000000E+00 1.0000000E+00 17 4.0388011E+05 1.0000000E+00 1.0000000E+00 18 2.7045791E+05 1.0000000E+00 1.0000000E+00 19 1.8111186E+05 1.0000000E+00 1.0000000E+00 20 1.2128138E+05 1.0000000E+00 1.0000000E+00 21 8.1215952E+04 1.0000000E+00 1.0000000E+00 22 5.4386180E+04 1.0000000E+00 1.0000000E+00 23 3.6419651E+04 1.0000000E+00 1.0000000E+00 24 2.4388382E+04 1.0000000E+00 1.0000000E+00 25 1.6331656E+04 1.0000000E+00 1.0000000E+00 26 1.0936477E+04 1.0000000E+00 1.0000000E+00 27 7.3236006E+03 1.0000000E+00 1.0000000E+00 28 4.9042418E+03 1.0000000E+00 1.0000000E+00 29 3.2841206E+03 1.0000000E+00 1.0000000E+00 30 2.1992080E+03 1.0000000E+00 1.0000000E+00 31 1.4726974E+03 1.0000000E+00 1.0000000E+00 32 9.8619035E+02 1.0000000E+00 1.0000000E+00 33 6.6040137E+02 1.0000000E+00 1.0000000E+00 34 4.4223711E+02 1.0000000E+00 1.0000000E+00 35 2.9614364E+02 1.0000000E+00 1.0000000E+00 36 1.9831229E+02 1.0000000E+00 1.0000000E+00 37 1.3279962E+02 1.0000000E+00 1.0000000E+00 38 8.8929134E+01 1.0000000E+00 1.0000000E+00 39 5.9551305E+01 1.0000000E+00 1.0000000E+00 40 3.9878471E+01 1.0000000E+00 1.0000000E+00 41 2.6704578E+01 1.0000000E+00 1.0000000E+00 42 1.7882694E+01 1.0000000E+00 1.0000000E+00 43 1.1975128E+01 1.0000000E+00 1.0000000E+00 44 8.0191323E+00 1.0000000E+00 1.0000000E+00 45 5.3700039E+00 1.0000000E+00 1.0000000E+00 46 3.5960177E+00 1.0000000E+00 1.0000000E+00 47 2.4080696E+00 1.0000000E+00 1.0000000E+00 48 1.6125614E+00 1.0000000E+00 1.0000000E+00 49 1.0798501E+00 1.0000000E+00 1.0000000E+00 50 7.2312054E-01 1.0000000E+00 1.0000000E+00 51 4.8423694E-01 1.0000000E+00 1.0000000E+00 52 3.2426878E-01 1.0000000E+00 1.0000000E+00 53 2.1714626E-01 1.0000000E+00 1.0000000E+00 54 1.4541177E-01 1.0000000E+00 1.0000000E+00 55 9.7374848E-02 1.0000000E+00 1.0000000E+00 56 6.5206969E-02 1.0000000E+00 1.0000000E+00 57 4.3665781E-02 1.0000000E+00 1.0000000E+00 58 2.9240746E-02 1.0000000E+00 1.0000000E+00 59 1.9581036E-02 1.0000000E+00 1.0000000E+00 60 1.3112421E-02 1.0000000E+00 1.0000000E+00 61 8.7807196E-03 1.0000000E+00 1.0000000E+00 62 5.8800000E-03 1.0000000E+00 1.0000000E+00 SPINOR ENERGIES AND VECTORS 1S+ -5.0000668E-01 ------------ *** Large-Component *** 1 8.4451764E-11 2 -2.7423085E-10 3 5.9729944E-10 4 -9.0533334E-10 5 1.2555237E-09 6 -1.4208128E-09 7 1.7013536E-09 8 -1.6184504E-09 9 1.9658931E-09 10 -1.5030306E-09 11 2.2618989E-09 12 -9.7733459E-10 13 2.9677178E-09 14 4.1512903E-10 15 4.9533453E-09 16 3.9983550E-09 17 1.0541140E-08 18 1.3411671E-08 19 2.5921337E-08 20 3.8717596E-08 21 6.7753919E-08 22 1.0738872E-07 23 1.8133592E-07 24 2.9416581E-07 25 4.9001095E-07 26 8.0250894E-07 27 1.3296358E-06 28 2.1865473E-06 29 3.6147957E-06 30 5.9557284E-06 31 9.8361646E-06 32 1.6220895E-05 33 2.6776091E-05 34 4.4178138E-05 35 7.2887512E-05 36 1.2028484E-04 37 1.9834367E-04 38 3.2722106E-04 39 5.3915277E-04 40 8.8846960E-04 41 1.4615061E-03 42 2.4022801E-03 43 3.9368708E-03 44 6.4340818E-03 45 1.0456197E-02 46 1.6872210E-02 47 2.6907814E-02 48 4.2207639E-02 49 6.4533990E-02 50 9.5047673E-02 51 1.3227861E-01 52 1.6928805E-01 53 1.9101729E-01 54 1.7872179E-01 55 1.2629590E-01 56 5.8789407E-02 57 1.4611676E-02 58 1.4472207E-03 59 3.1741987E-05 60 -1.9982325E-06 61 2.3232005E-06 62 -8.3500239E-07 *** Small-Component *** 63 3.0816052E-09 64 -7.4809554E-09 65 1.3650754E-08 66 -1.6171433E-08 67 1.9265750E-08 68 -1.6694672E-08 69 1.8194188E-08 70 -1.2106464E-08 71 1.5495575E-08 72 -6.0322708E-09 73 1.4347797E-08 74 8.1862223E-10 75 1.6349378E-08 76 9.6260769E-09 77 2.3189388E-08 78 2.3009118E-08 79 3.7897403E-08 80 4.5601329E-08 81 6.6224582E-08 82 8.5621049E-08 83 1.1888766E-07 84 1.5786992E-07 85 2.1560867E-07 86 2.8921932E-07 87 3.9248961E-07 88 5.2860994E-07 89 7.1548025E-07 90 9.6527737E-07 91 1.3049506E-06 92 1.7619838E-06 93 2.3805047E-06 94 3.2153954E-06 95 4.3426877E-06 96 5.8663648E-06 97 7.9201581E-06 98 1.0698654E-05 99 1.4437105E-05 100 1.9493638E-05 101 2.6284851E-05 102 3.5448518E-05 103 4.7719838E-05 104 6.4189859E-05 105 8.6085663E-05 106 1.1513470E-04 107 1.5311665E-04 108 2.0218903E-04 109 2.6386971E-04 110 3.3871582E-04 111 4.2379602E-04 112 5.1078742E-04 113 5.8171680E-04 114 6.0922316E-04 115 5.6252996E-04 116 4.3070248E-04 117 2.4906409E-04 118 9.4874337E-05 119 1.9295916E-05 120 1.5640940E-06 121 2.8035894E-08 122 -1.4473766E-09 123 1.3821424E-09 124 -4.0613792E-10 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 set27 (62s62p36d36f) 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 = -2.86181332283314E+00 Mass Energy = -2.86181504279026E+00 Kinetic Energy = 5.72389680291238E+00 Potential Energy = -5.72389508295526E+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 1.6540330E+08 1.0000000E+00 1.0000000E+00 3 1.1076215E+08 1.0000000E+00 1.0000000E+00 4 7.4171765E+07 1.0000000E+00 1.0000000E+00 5 4.9669047E+07 1.0000000E+00 1.0000000E+00 6 3.3260827E+07 1.0000000E+00 1.0000000E+00 7 2.2273080E+07 1.0000000E+00 1.0000000E+00 8 1.4915145E+07 1.0000000E+00 1.0000000E+00 9 9.9879120E+06 1.0000000E+00 1.0000000E+00 10 6.6883952E+06 1.0000000E+00 1.0000000E+00 11 4.4788771E+06 1.0000000E+00 1.0000000E+00 12 2.9992755E+06 1.0000000E+00 1.0000000E+00 13 2.0084618E+06 1.0000000E+00 1.0000000E+00 14 1.3449644E+06 1.0000000E+00 1.0000000E+00 15 9.0065408E+05 1.0000000E+00 1.0000000E+00 16 6.0312210E+05 1.0000000E+00 1.0000000E+00 17 4.0388011E+05 1.0000000E+00 1.0000000E+00 18 2.7045791E+05 1.0000000E+00 1.0000000E+00 19 1.8111186E+05 1.0000000E+00 1.0000000E+00 20 1.2128138E+05 1.0000000E+00 1.0000000E+00 21 8.1215952E+04 1.0000000E+00 1.0000000E+00 22 5.4386180E+04 1.0000000E+00 1.0000000E+00 23 3.6419651E+04 1.0000000E+00 1.0000000E+00 24 2.4388382E+04 1.0000000E+00 1.0000000E+00 25 1.6331656E+04 1.0000000E+00 1.0000000E+00 26 1.0936477E+04 1.0000000E+00 1.0000000E+00 27 7.3236006E+03 1.0000000E+00 1.0000000E+00 28 4.9042418E+03 1.0000000E+00 1.0000000E+00 29 3.2841206E+03 1.0000000E+00 1.0000000E+00 30 2.1992080E+03 1.0000000E+00 1.0000000E+00 31 1.4726974E+03 1.0000000E+00 1.0000000E+00 32 9.8619035E+02 1.0000000E+00 1.0000000E+00 33 6.6040137E+02 1.0000000E+00 1.0000000E+00 34 4.4223711E+02 1.0000000E+00 1.0000000E+00 35 2.9614364E+02 1.0000000E+00 1.0000000E+00 36 1.9831229E+02 1.0000000E+00 1.0000000E+00 37 1.3279962E+02 1.0000000E+00 1.0000000E+00 38 8.8929134E+01 1.0000000E+00 1.0000000E+00 39 5.9551305E+01 1.0000000E+00 1.0000000E+00 40 3.9878471E+01 1.0000000E+00 1.0000000E+00 41 2.6704578E+01 1.0000000E+00 1.0000000E+00 42 1.7882694E+01 1.0000000E+00 1.0000000E+00 43 1.1975128E+01 1.0000000E+00 1.0000000E+00 44 8.0191323E+00 1.0000000E+00 1.0000000E+00 45 5.3700039E+00 1.0000000E+00 1.0000000E+00 46 3.5960177E+00 1.0000000E+00 1.0000000E+00 47 2.4080696E+00 1.0000000E+00 1.0000000E+00 48 1.6125614E+00 1.0000000E+00 1.0000000E+00 49 1.0798501E+00 1.0000000E+00 1.0000000E+00 50 7.2312054E-01 1.0000000E+00 1.0000000E+00 51 4.8423694E-01 1.0000000E+00 1.0000000E+00 52 3.2426878E-01 1.0000000E+00 1.0000000E+00 53 2.1714626E-01 1.0000000E+00 1.0000000E+00 54 1.4541177E-01 1.0000000E+00 1.0000000E+00 55 9.7374848E-02 1.0000000E+00 1.0000000E+00 56 6.5206969E-02 1.0000000E+00 1.0000000E+00 57 4.3665781E-02 1.0000000E+00 1.0000000E+00 58 2.9240746E-02 1.0000000E+00 1.0000000E+00 59 1.9581036E-02 1.0000000E+00 1.0000000E+00 60 1.3112421E-02 1.0000000E+00 1.0000000E+00 61 8.7807196E-03 1.0000000E+00 1.0000000E+00 62 5.8800000E-03 1.0000000E+00 1.0000000E+00 SPINOR ENERGIES AND VECTORS 1S+ -9.1798997E-01 ------------ *** Large-Component *** 1 3.9823782E-10 2 -1.1859925E-09 3 2.5651896E-09 4 -3.7715943E-09 5 5.2945345E-09 6 -5.8755152E-09 7 7.2574855E-09 8 -6.7443499E-09 9 8.6711785E-09 10 -6.3506209E-09 11 1.0497465E-08 12 -4.1384846E-09 13 1.4519381E-08 14 2.1349072E-09 15 2.4896329E-08 16 1.9013837E-08 17 5.2438482E-08 18 6.4412588E-08 19 1.2639471E-07 20 1.8668268E-07 21 3.2630776E-07 22 5.1692255E-07 23 8.6825097E-07 24 1.4114670E-06 25 2.3396261E-06 26 3.8395049E-06 27 6.3385087E-06 28 1.0437921E-05 29 1.7213708E-05 30 2.8380906E-05 31 4.6796476E-05 32 7.7177069E-05 33 1.2723798E-04 34 2.0977719E-04 35 3.4568312E-04 36 5.6930282E-04 37 9.3673795E-04 38 1.5388404E-03 39 2.5224236E-03 40 4.1195021E-03 41 6.6919387E-03 42 1.0778134E-02 43 1.7141597E-02 44 2.6746628E-02 45 4.0626000E-02 46 5.9506517E-02 47 8.3283013E-02 48 1.1048818E-01 49 1.3788519E-01 50 1.6001252E-01 51 1.6827462E-01 52 1.5284787E-01 53 1.1097815E-01 54 5.7400519E-02 55 1.7808933E-02 56 2.5904559E-03 57 8.5553146E-05 58 4.2654350E-05 59 -3.9713939E-05 60 2.7201081E-05 61 -1.1704016E-05 62 2.2271683E-06 *** Small-Component *** 63 6.7056326E-09 64 -1.1548817E-08 65 2.2311624E-08 66 -2.1105216E-08 67 2.9794673E-08 68 -1.8371314E-08 69 3.0102869E-08 70 -7.9757407E-09 71 3.1137115E-08 72 6.9559932E-09 73 3.8559172E-08 74 2.8282664E-08 75 5.7645326E-08 76 6.2230483E-08 77 9.6699848E-08 78 1.2059195E-07 79 1.7091012E-07 80 2.2463657E-07 81 3.0831282E-07 82 4.1284379E-07 83 5.6037244E-07 84 7.5515695E-07 85 1.0212209E-06 86 1.3789980E-06 87 1.8627542E-06 88 2.5166867E-06 89 3.3986271E-06 90 4.5917964E-06 91 6.2006942E-06 92 8.3761570E-06 93 1.1310216E-05 94 1.5274080E-05 95 2.0618068E-05 96 2.7828994E-05 97 3.7540375E-05 98 5.0607588E-05 99 6.8158186E-05 100 9.1643204E-05 101 1.2294775E-04 102 1.6433283E-04 103 2.1847566E-04 104 2.8797417E-04 105 3.7481392E-04 106 4.7860612E-04 107 5.9491729E-04 108 7.1310108E-04 109 8.1672909E-04 110 8.8667576E-04 111 9.0551615E-04 112 8.5991902E-04 113 7.4002877E-04 114 5.5006566E-04 115 3.2682602E-04 116 1.3833173E-04 117 3.5120410E-05 118 4.1809958E-06 119 1.1261034E-07 120 4.6332794E-08 121 -3.5230590E-08 122 1.9710848E-08 123 -6.9304174E-09 124 1.0788750E-09 RADIAL MOMENTS Sym Orb S+ 1 5.99720E+00 1.68743E+00 9.27223E-01 1.18472E+00 1.94040E+00 3.88736E+00 ****************************************************************************************************