Ne [He]2s(2)2p(6) 12s9/9p Nucleus Model : Gaussian Charge Distribution Nuclear Charge = 10.0 Atomic Mass = 20.0 Parameter Alpha = 5.210572E+08 Speed of Light = 137.0359895 S+ P- P+ Number of Closed Shells 2 1 1 Open Shells 0 0 0 ENERGIES Total Energy = -1.286908677853797E+02 Mass Energy = -1.286907925129660E+02 Kinetic Energy = 2.576718122414214E+02 Potential Energy = -2.576718875138352E+02 SINGLE-FAMILY EXPONENT BASIS SET Exponent S+ P- P+ 6.6997130775E+04 o 9.5993767865E+03 o 2.1258204847E+03 o 5.8950339234E+02 o o o 1.8872796111E+02 o o o 6.6870817798E+01 o o o 2.5473455531E+01 o o o 1.0226160809E+01 o o o 4.0456189630E+00 o o o 1.5795790782E+00 o o o 5.9596546332E-01 o o o 2.1263142098E-01 o o o NORMALIZED BASIS SPINORS Symmetry Exponent Param Coefficients Species Large-Component Small-Component S+ 1 6.6997130775E+04 1.0000000000E+00 1.0000000000E+00 2 9.5993767865E+03 1.0000000000E+00 1.0000000000E+00 3 2.1258204847E+03 1.0000000000E+00 1.0000000000E+00 4 5.8950339234E+02 1.0000000000E+00 1.0000000000E+00 5 1.8872796111E+02 1.0000000000E+00 1.0000000000E+00 6 6.6870817798E+01 1.0000000000E+00 1.0000000000E+00 7 2.5473455531E+01 1.0000000000E+00 1.0000000000E+00 8 1.0226160809E+01 1.0000000000E+00 1.0000000000E+00 9 4.0456189630E+00 1.0000000000E+00 1.0000000000E+00 10 1.5795790782E+00 1.0000000000E+00 1.0000000000E+00 11 5.9596546332E-01 1.0000000000E+00 1.0000000000E+00 12 2.1263142098E-01 1.0000000000E+00 1.0000000000E+00 P- 1 5.8950339234E+02 1.0000000000E+00 1.0000000000E+00 2 1.8872796111E+02 1.0000000000E+00 1.0000000000E+00 3 6.6870817798E+01 1.0000000000E+00 1.0000000000E+00 4 2.5473455531E+01 1.0000000000E+00 1.0000000000E+00 5 1.0226160809E+01 1.0000000000E+00 1.0000000000E+00 6 4.0456189630E+00 1.0000000000E+00 1.0000000000E+00 7 1.5795790782E+00 1.0000000000E+00 1.0000000000E+00 8 5.9596546332E-01 1.0000000000E+00 1.0000000000E+00 9 2.1263142098E-01 1.0000000000E+00 1.0000000000E+00 P+ 1 5.8950339234E+02 1.0000000000E+00 1.0000000000E+00 2 1.8872796111E+02 1.0000000000E+00 1.0000000000E+00 3 6.6870817798E+01 1.0000000000E+00 1.0000000000E+00 4 2.5473455531E+01 1.0000000000E+00 1.0000000000E+00 5 1.0226160809E+01 1.0000000000E+00 1.0000000000E+00 6 4.0456189630E+00 1.0000000000E+00 1.0000000000E+00 7 1.5795790782E+00 1.0000000000E+00 1.0000000000E+00 8 5.9596546332E-01 1.0000000000E+00 1.0000000000E+00 9 2.1263142098E-01 1.0000000000E+00 1.0000000000E+00 SPINOR ENERGIES AND VECTORS 1S+ 2S+ -3.2816701E+01 -1.9354850E+00 ------------ ------------ *** Large-Component *** 1 1.6447658E-04 -3.8736625E-05 2 1.2493982E-03 -2.9494987E-04 3 6.5470398E-03 -1.5476330E-03 4 2.7170234E-02 -6.5161219E-03 5 9.1465069E-02 -2.2583603E-02 6 2.3710484E-01 -6.3978951E-02 7 4.0889076E-01 -1.3503120E-01 8 3.2357059E-01 -1.7096139E-01 9 5.6712891E-02 5.2598474E-02 10 3.1200592E-04 4.7938336E-01 11 1.0591917E-03 5.1682108E-01 12 -4.6073962E-05 9.7915807E-02 *** Small-Component *** 13 2.3930214E-04 -5.6293953E-05 14 7.4278277E-04 -1.7515148E-04 15 1.8740710E-03 -4.4248681E-04 16 4.1372449E-03 -9.9114116E-04 17 7.9168272E-03 -1.9527576E-03 18 1.2243463E-02 -3.3007351E-03 19 1.3045047E-02 -4.3043560E-03 20 6.5437767E-03 -3.4548928E-03 21 7.2145301E-04 6.6817153E-04 22 2.4926685E-06 3.8075890E-03 23 5.1619716E-06 2.5215106E-03 24 -1.3183160E-07 2.8535271E-04 2P- -8.5251912E-01 ------------ *** Large-Component *** 1 3.1267233E-04 2 1.4176319E-03 3 7.6387680E-03 4 2.8998177E-02 5 9.7133718E-02 6 2.4149043E-01 7 3.7575758E-01 8 3.6356620E-01 9 1.5768513E-01 *** Small-Component *** 10 5.4882323E-05 11 1.5585187E-04 12 5.0348247E-04 13 1.1901285E-03 14 2.5298990E-03 15 3.9605157E-03 16 3.8515267E-03 17 2.2894143E-03 18 5.9275829E-04 2P+ -8.4796786E-01 ------------ *** Large-Component *** 1 2.7266520E-04 2 1.3757610E-03 3 7.4895503E-03 4 2.8734576E-02 5 9.6553836E-02 6 2.4067206E-01 7 3.7530496E-01 8 3.6417765E-01 9 1.5924696E-01 *** Small-Component *** 10 5.3450203E-05 11 1.5353519E-04 12 4.9857914E-04 13 1.1821368E-03 14 2.5182226E-03 15 3.9491128E-03 16 3.8483066E-03 17 2.2937591E-03 18 5.9911778E-04 RADIAL MOMENTS Sym Orb S+ 1 1.88558E+02 9.64257E+00 1.57368E-01 3.33724E-02 8.94174E-03 2.90952E-03 2 1.11830E+01 1.63704E+00 8.90608E-01 9.64308E-01 1.23821E+00 1.86399E+00 P- 1 3.08204E+00 1.43908E+00 9.63037E-01 1.22188E+00 1.95898E+00 3.82672E+00 P+ 1 3.05690E+00 1.43469E+00 9.65688E-01 1.22855E+00 1.97484E+00 3.86710E+00