(1s1s) 1 S Z=20 Ca 18+
Table 1. Novikov N.V. // Wave Function Value Database http://cdfe.sinp.msu.ru/services/wftables/
| j | R n1,l1 (α1,r) | R n2,l2 (α2,r) | g | ||
| n1 l1 | α1 | n2 l2 | α2 | ||
| 1 | 1s | 17.9573 | 1s | 21.4876 | 0.7107726418228776E+00 |
| 2 | 1s | 30.3833 | 4s | 138.3694 | 0.6183721983859035E-03 |
| 3 | 1s | 48.0845 | 2s | 57.4675 | -0.2594320142653503E-02 |
| 4 | 2s | 136.3542 | 4s | 141.6595 | 0.1172774859007748E-02 |
| 5 | 1s | 28.5270 | 3s | 55.0619 | -0.3802633633752395E-02 |
| 6 | 1s | 41.6609 | 2s | 78.5447 | 0.2608535595489961E-02 |
| 7 | 2s | 68.9500 | 3s | 115.4013 | -0.1656100255447305E-02 |
| 8 | 3s | 136.9636 | 4s | 135.3666 | -0.1776931604557194E-02 |
| 9 | 4s | 158.3915 | 5s | 190.9683 | -0.4548944907666417E-03 |
| 10 | 2p | 52.3548 | 2p | 52.3548 | 0.7456005012721986E-02 |
| 11 | 2p | 106.7373 | 3p | 112.4746 | 0.1307821660954095E-02 |
| 12 | 4p | 159.3598 | 4p | 159.3598 | 0.5330794813671582E-03 |
| 13 | 2p | 61.5472 | 4p | 141.2248 | -0.9453276136244272E-03 |
| 14 | 3p | 277.9787 | 4p | 270.5130 | 0.1279390755281180E-03 |
| 15 | 3d | 137.6307 | 3d | 137.6307 | -0.1258067576026493E-02 |
| 16 | 4d | 211.0086 | 4d | 211.0086 | -0.5828335662947596E-03 |
| 17 | 5d | 290.8964 | 5d | 290.8964 | -0.2132317925468633E-03 |
| 18 | 3d | 69.0332 | 5d | 191.8588 | -0.1919086132921769E-03 |
| 19 | 4f | 228.9181 | 4f | 228.9181 | 0.4904331228577855E-03 |
| 20 | 5f | 299.3880 | 5f | 299.3880 | 0.2416626982197784E-03 |
| 21 | 5g | 333.7110 | 5g | 333.7110 | -0.2345549718015496E-03 |
Energy= -387.65627375 a.u.
Table 2. Clementi E., Roetti C. // At. Data Nucl. Data Tables 14, 177, (1974)
Ψ( r 1 , r 2 ) = F( r 1 ) F( r 2 ) ; F( r ) = Σ j C j φ 1s ( α j , r )
| j | R n,l (α,r) | C | |
| n l | α | ||
| 1 | 1s | 19.45300 | 0.98449 |
| 2 | 1s | 35.80330 | 0.02004 |
| 3 | 1s | 45.68780 | -0.00259 |
Energy= -387.61106 a.u.