(1s1s) 1 S Z=30 Zn 28+
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 | 26.9334 | 1s | 32.3433 | 0.7135580497438929E+00 |
| 2 | 1s | 45.3437 | 4s | 167.9798 | 0.1248726587051813E-02 |
| 3 | 1s | 63.8042 | 2s | 99.5425 | -0.2169216471221435E-02 |
| 4 | 2s | 109.6124 | 4s | 214.6622 | 0.4566771518360915E-03 |
| 5 | 1s | 37.5868 | 3s | 82.6401 | -0.5294600729099686E-02 |
| 6 | 1s | 50.2940 | 2s | 76.8509 | 0.6050972261828212E-02 |
| 7 | 2s | 109.3353 | 3s | 157.8312 | -0.3496434443745075E-03 |
| 8 | 3s | 175.2162 | 4s | 192.1639 | -0.4352704103437747E-03 |
| 9 | 4s | 249.2939 | 5s | 272.0201 | -0.1855250929334122E-03 |
| 10 | 2p | 78.9738 | 2p | 78.9738 | 0.4944957284725178E-02 |
| 11 | 2p | 162.1656 | 3p | 167.9804 | 0.8634052401901103E-03 |
| 12 | 4p | 239.9702 | 4p | 239.9702 | 0.3639146053693854E-03 |
| 13 | 2p | 91.8445 | 4p | 212.5801 | -0.6136599227797479E-03 |
| 14 | 3p | 419.3852 | 4p | 407.8286 | 0.8562696596926715E-04 |
| 15 | 3d | 207.2697 | 3d | 207.2697 | -0.8419984986977937E-03 |
| 16 | 4d | 317.6200 | 4d | 317.6200 | -0.3924569273591412E-03 |
| 17 | 5d | 437.6787 | 5d | 437.6787 | -0.1427116099487786E-03 |
| 18 | 3d | 103.8333 | 5d | 288.4970 | -0.1284404489539007E-03 |
| 19 | 4f | 344.7620 | 4f | 344.7620 | 0.3282367028821907E-03 |
| 20 | 5f | 450.8728 | 5f | 450.8728 | 0.1641183514410954E-03 |
| 21 | 5g | 502.8202 | 5g | 502.8202 | -0.1569827709436564E-03 |
Energy= -881.40638688 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 | 29.45710 | 0.99013 |
| 2 | 1s | 55.93740 | 0.01508 |
| 3 | 1s | 65.95340 | -0.00394 |
Energy= -881.36104 a.u.