Be [He]2s(2) 12s Nucleus Model : Gaussian Charge Distribution Nuclear Charge = 4.0 Atomic Mass = 9.0 Parameter Alpha = 7.878880E+08 Speed of Light = 137.0359895 S+ Number of Closed Shells 2 Open Shells 0 ENERGIES Total Energy = -1.457583468928859E+01 Mass Energy = -1.457583357964791E+01 Kinetic Energy = 2.915740370333585E+01 Potential Energy = -2.915740481297654E+01 SINGLE-FAMILY EXPONENT BASIS SET Exponent S+ 1.4996441952E+04 o 2.2254015328E+03 o 5.0360095765E+02 o 1.4206171923E+02 o 4.6178833280E+01 o 1.6566184116E+01 o 6.3493203689E+00 o 2.5437167146E+00 o 1.0377538442E+00 o 2.5295770921E-01 o 1.0528824506E-01 o 4.2642358469E-02 o NORMALIZED BASIS SPINORS Symmetry Exponent Param Coefficients Species Large-Component Small-Component S+ 1 1.4996441952E+04 1.0000000000E+00 1.0000000000E+00 2 2.2254015328E+03 1.0000000000E+00 1.0000000000E+00 3 5.0360095765E+02 1.0000000000E+00 1.0000000000E+00 4 1.4206171923E+02 1.0000000000E+00 1.0000000000E+00 5 4.6178833280E+01 1.0000000000E+00 1.0000000000E+00 6 1.6566184116E+01 1.0000000000E+00 1.0000000000E+00 7 6.3493203689E+00 1.0000000000E+00 1.0000000000E+00 8 2.5437167146E+00 1.0000000000E+00 1.0000000000E+00 9 1.0377538442E+00 1.0000000000E+00 1.0000000000E+00 10 2.5295770921E-01 1.0000000000E+00 1.0000000000E+00 11 1.0528824506E-01 1.0000000000E+00 1.0000000000E+00 12 4.2642358469E-02 1.0000000000E+00 1.0000000000E+00 SPINOR ENERGIES AND VECTORS 1S+ 2S+ -4.7334603E+00 -3.0931245E-01 ------------ ------------ *** Large-Component *** 1 9.1678086E-05 -1.6684908E-05 2 7.0925513E-04 -1.2973242E-04 3 3.7126704E-03 -6.7576066E-04 4 1.5373555E-02 -2.8402871E-03 5 5.2583369E-02 -9.7614551E-03 6 1.4508906E-01 -2.8485473E-02 7 3.0219063E-01 -6.3640232E-02 8 4.0535948E-01 -1.1713119E-01 9 2.2333949E-01 -1.2149068E-01 10 1.3097974E-02 2.5285119E-01 11 -4.7491260E-03 5.8179200E-01 12 1.2582688E-03 2.9226467E-01 *** Small-Component *** 13 6.9302922E-05 -1.2610437E-05 14 2.0975529E-04 -3.8361953E-05 15 5.2464382E-04 -9.5477813E-05 16 1.1561499E-03 -2.1357175E-04 17 2.2566686E-03 -4.1886718E-04 18 3.7311226E-03 -7.3245132E-04 19 4.8119969E-03 -1.0132843E-03 20 4.0859862E-03 -1.1805401E-03 21 1.4379860E-03 -7.8214727E-04 22 4.1636775E-05 8.0367046E-04 23 -9.7398694E-06 1.1930421E-03 24 1.6422667E-06 3.8141186E-04 RADIAL MOMENTS Sym Orb S+ 1 2.77796E+01 3.68329E+00 4.14889E-01 2.32853E-01 1.65247E-01 1.42218E-01 2 1.05683E+00 5.22675E-01 2.64875E+00 8.42094E+00 3.13627E+01 1.34717E+02