(1s1s) 1 S Z=26 Fe 24+
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 | 23.3038 | 1s | 28.0306 | 0.7126507787070914E+00 |
| 2 | 1s | 38.2491 | 4s | 141.5886 | 0.1496566635284892E-02 |
| 3 | 1s | 56.7368 | 2s | 84.8446 | -0.2159331859482487E-02 |
| 4 | 2s | 86.2275 | 4s | 183.9887 | 0.5701206229656731E-03 |
| 5 | 1s | 32.8656 | 3s | 69.3931 | -0.4233145625520123E-02 |
| 6 | 1s | 46.6874 | 2s | 65.4933 | 0.4696368631679732E-02 |
| 7 | 2s | 92.8525 | 3s | 136.0934 | -0.4846025295208222E-03 |
| 8 | 3s | 155.5020 | 4s | 164.0344 | -0.4347169750113257E-03 |
| 9 | 4s | 217.0086 | 5s | 235.7415 | -0.2137952336121274E-03 |
| 10 | 2p | 68.3063 | 2p | 68.3063 | 0.5722585753017945E-02 |
| 11 | 2p | 139.8140 | 3p | 145.7946 | 0.9977110901899279E-03 |
| 12 | 4p | 207.6374 | 4p | 207.6374 | 0.4133374516501130E-03 |
| 13 | 2p | 79.6409 | 4p | 183.9782 | -0.7197772864941623E-03 |
| 14 | 3p | 362.5057 | 4p | 352.6967 | 0.9977110901899278E-04 |
| 15 | 3d | 179.4373 | 3d | 179.4373 | -0.9692050590416443E-03 |
| 16 | 4d | 275.0511 | 4d | 275.0511 | -0.4489699905854676E-03 |
| 17 | 5d | 379.2032 | 5d | 379.2032 | -0.1639096791026310E-03 |
| 18 | 3d | 89.9112 | 5d | 250.1446 | -0.1496566635284892E-03 |
| 19 | 4f | 298.3732 | 4f | 298.3732 | 0.3777049127147584E-03 |
| 20 | 5f | 390.2440 | 5f | 390.2440 | 0.1852892024638438E-03 |
| 21 | 5g | 435.0899 | 5g | 435.0899 | -0.1781626946767729E-03 |
Energy= -659.90634871 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 | 25.45370 | 0.98817 |
| 2 | 1s | 47.42210 | 0.01692 |
| 3 | 1s | 56.67690 | -0.00361 |
Energy= -659.86104 a.u.