(1s1s) 1 S Z=17 Cl 15+
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 | 15.1130 | 1s | 18.2810 | 0.7124692974957358E+00 |
| 2 | 1s | 21.3373 | 4s | 127.6139 | 0.5699754379965887E-03 |
| 3 | 1s | 45.6873 | 2s | 45.5403 | -0.1674302849114979E-02 |
| 4 | 2s | 130.8145 | 4s | 133.6364 | 0.6055989028713755E-03 |
| 5 | 1s | 23.3861 | 3s | 47.2297 | -0.4794918372146302E-02 |
| 6 | 1s | 31.1327 | 2s | 66.4067 | 0.2607637628834393E-02 |
| 7 | 2s | 65.7891 | 3s | 72.4064 | -0.1268195349542410E-02 |
| 8 | 3s | 120.8649 | 4s | 119.5851 | -0.1239696577642581E-02 |
| 9 | 4s | 144.1644 | 5s | 166.1931 | -0.4844791222971004E-03 |
| 10 | 2p | 44.3834 | 2p | 44.3834 | 0.8784746438122423E-02 |
| 11 | 2p | 90.3037 | 3p | 95.6759 | 0.1538933682590789E-02 |
| 12 | 4p | 135.2318 | 4p | 135.2318 | 0.6198482888212902E-03 |
| 13 | 2p | 52.3966 | 4p | 119.8520 | -0.1118576797068305E-02 |
| 14 | 3p | 235.8886 | 4p | 229.5730 | 0.1496185524741045E-03 |
| 15 | 3d | 116.7261 | 3d | 116.7261 | -0.1474811445816173E-02 |
| 16 | 4d | 178.9663 | 4d | 178.9663 | -0.6839705255959064E-03 |
| 17 | 5d | 246.7536 | 5d | 246.7536 | -0.2493642541235075E-03 |
| 18 | 3d | 58.6070 | 5d | 162.7384 | -0.2279901751986355E-03 |
| 19 | 4f | 194.1772 | 4f | 194.1772 | 0.5771001309715460E-03 |
| 20 | 5f | 253.9111 | 5f | 253.9111 | 0.2849877189982943E-03 |
| 21 | 5g | 283.1970 | 5g | 283.1970 | -0.2707383330483796E-03 |
Energy= -278.53121447 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 | 16.44940 | 0.98097 |
| 2 | 1s | 29.64730 | 0.02314 |
| 3 | 1s | 39.57500 | -0.00182 |
Energy= -278.48606 a.u.