(1s1s) 1 S Z=24 Cr 22+
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 | 21.4344 | 1s | 25.8744 | 0.7137041104859213E+00 |
| 2 | 1s | 39.7831 | 4s | 138.3727 | 0.1127652494567756E-02 |
| 3 | 1s | 61.2292 | 2s | 79.7242 | -0.1463093426496139E-02 |
| 4 | 2s | 95.1561 | 4s | 177.0589 | 0.4995928773401450E-03 |
| 5 | 1s | 30.5696 | 3s | 65.8474 | -0.5409877157483284E-02 |
| 6 | 1s | 39.8968 | 2s | 64.4978 | 0.4796091622465392E-02 |
| 7 | 2s | 100.3161 | 3s | 123.9105 | -0.3354409319283830E-03 |
| 8 | 3s | 145.8322 | 4s | 157.2176 | -0.5067299184450041E-03 |
| 9 | 4s | 205.8784 | 5s | 221.7750 | -0.2141112331457764E-03 |
| 10 | 2p | 62.9753 | 2p | 62.9753 | 0.6216362802332376E-02 |
| 11 | 2p | 128.2898 | 3p | 135.4389 | 0.1091967289043459E-02 |
| 12 | 4p | 191.8070 | 4p | 191.8070 | 0.4424965485012712E-03 |
| 13 | 2p | 74.1016 | 4p | 169.8811 | -0.7922115626393727E-03 |
| 14 | 3p | 334.7541 | 4p | 325.5885 | 0.1070556165728882E-03 |
| 15 | 3d | 165.4872 | 3d | 165.4872 | -0.1049145042414304E-02 |
| 16 | 4d | 253.6461 | 4d | 253.6461 | -0.4853187951304265E-03 |
| 17 | 5d | 349.5116 | 5d | 349.5116 | -0.1784260276214803E-03 |
| 18 | 3d | 82.9364 | 5d | 230.4798 | -0.1570149043069027E-03 |
| 19 | 4f | 275.2520 | 4f | 275.2520 | 0.4139483840818344E-03 |
| 20 | 5f | 359.9768 | 5f | 359.9768 | 0.2069741920409172E-03 |
| 21 | 5g | 401.4170 | 5g | 401.4170 | -0.1927001098311988E-03 |
Energy= -561.15632939 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 | 23.45690 | 0.98764 |
| 2 | 1s | 44.32600 | 0.01772 |
| 3 | 1s | 53.77210 | -0.00376 |
Energy= -561.11105 a.u.