(1s1s) 1 S Z= 9 F 7+
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 | 7.5171 | 1s | 9.8054 | 0.7212932701925017E+00 |
| 2 | 1s | 14.3610 | 4s | 61.6831 | 0.2041259954644780E-02 |
| 3 | 1s | 12.5820 | 2s | 21.0974 | -0.8359789001531094E-02 |
| 4 | 2s | 67.1963 | 4s | 66.2973 | 0.1810446108183179E-02 |
| 5 | 1s | 12.1726 | 3s | 24.8439 | -0.1133151727472420E-01 |
| 6 | 1s | 9.9327 | 2s | 25.9629 | 0.1507502934702328E-01 |
| 7 | 2s | 34.9776 | 3s | 55.0117 | -0.2055685820048630E-02 |
| 8 | 3s | 68.5251 | 4s | 63.3822 | -0.2740914426731506E-02 |
| 9 | 4s | 78.8738 | 5s | 90.6029 | -0.6924415393848016E-03 |
| 10 | 2p | 23.1428 | 2p | 23.1428 | 0.1661859694523524E-01 |
| 11 | 2p | 47.0302 | 3p | 50.1120 | 0.2899598946173857E-02 |
| 12 | 4p | 70.4825 | 4p | 70.4825 | 0.1146856299606078E-02 |
| 13 | 2p | 27.5939 | 4p | 62.6327 | -0.2091750483558255E-02 |
| 14 | 3p | 122.6280 | 4p | 119.4747 | 0.2813043753750757E-03 |
| 15 | 3d | 60.9752 | 3d | 60.9752 | -0.2748127359433431E-02 |
| 16 | 4d | 93.5371 | 4d | 93.5371 | -0.1269476155538803E-02 |
| 17 | 5d | 129.0690 | 5d | 129.0690 | -0.4688406256251261E-03 |
| 18 | 3d | 30.7815 | 5d | 85.1327 | -0.4327759621155010E-03 |
| 19 | 4f | 101.5632 | 4f | 101.5632 | 0.1067514039884903E-02 |
| 20 | 5f | 132.7729 | 5f | 132.7729 | 0.5337570199424513E-03 |
| 21 | 5g | 148.2413 | 5g | 148.2413 | -0.5049052891347511E-03 |
Energy= -75.53083495 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 | 8.44950 | 0.96398 |
| 2 | 1s | 15.20300 | 0.04150 |
| 3 | 1s | 24.63050 | -0.00103 |
Energy= -75.486124 a.u.