(1s1s) 1 S Z= 6 C 4+
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 | 4.8592 | 1s | 6.4591 | 0.7243916891052357E+00 |
| 2 | 1s | 6.8374 | 4s | 45.5166 | 0.2701981000362529E-02 |
| 3 | 1s | 10.1534 | 2s | 13.3364 | -0.1206836554049323E-01 |
| 4 | 2s | 51.7873 | 4s | 50.9430 | 0.1499490796447838E-02 |
| 5 | 1s | 8.2233 | 3s | 16.2933 | -0.1127153468247747E-01 |
| 6 | 1s | 6.8600 | 2s | 18.2671 | 0.1800113347426511E-01 |
| 7 | 2s | 35.3677 | 3s | 24.2281 | -0.1695076552506252E-02 |
| 8 | 3s | 52.3912 | 4s | 44.1282 | -0.2817883670619367E-02 |
| 9 | 4s | 61.6696 | 5s | 63.3833 | -0.9054896113815446E-03 |
| 10 | 2p | 15.1934 | 2p | 15.1934 | 0.2489734235454695E-01 |
| 11 | 2p | 30.9671 | 3p | 32.9527 | 0.4288398799502995E-02 |
| 12 | 4p | 46.2349 | 4p | 46.2349 | 0.1673344801833094E-02 |
| 13 | 2p | 18.3305 | 4p | 41.1995 | -0.3049689011133042E-02 |
| 14 | 3p | 80.3325 | 4p | 78.2919 | 0.4201471796810367E-03 |
| 15 | 3d | 40.0547 | 3d | 40.0547 | -0.4056593458989320E-02 |
| 16 | 4d | 61.4687 | 4d | 61.4687 | -0.1876174474782560E-02 |
| 17 | 5d | 84.8675 | 5d | 84.8675 | -0.6809281877589215E-03 |
| 18 | 3d | 20.3406 | 5d | 55.9427 | -0.6519525201947121E-03 |
| 19 | 4f | 66.8036 | 4f | 66.8036 | 0.1564686048467309E-02 |
| 20 | 5f | 87.2867 | 5f | 87.2867 | 0.7823430242336545E-03 |
| 21 | 5g | 97.5888 | 5g | 97.5888 | -0.7316356059962881E-03 |
Energy= -32.40544114 a.u.
Table 2. ClementiE., 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 | 5.44726 | 0.94428 |
| 2 | 1s | 9.80425 | 0.06382 |
| 3 | 1s | 14.61460 | -0.00125 |
Energy= -32.361191 a.u.