(1s1s) 1 S Z=34 Se 32+
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 | 30.5524 | 1s | 36.6554 | 0.7142236314357295E+00 |
| 2 | 1s | 49.8686 | 4s | 190.4412 | 0.1271318063955598E-02 |
| 3 | 1s | 69.3785 | 2s | 116.7932 | -0.2106959712735402E-02 |
| 4 | 2s | 125.7541 | 4s | 244.2080 | 0.3928229972896513E-03 |
| 5 | 1s | 42.0269 | 3s | 94.4545 | -0.5720931287800194E-02 |
| 6 | 1s | 54.2659 | 2s | 85.0394 | 0.7156520786986010E-02 |
| 7 | 2s | 132.8166 | 3s | 183.9855 | -0.2214093257450761E-03 |
| 8 | 3s | 198.8648 | 4s | 217.6309 | -0.3785385246609366E-03 |
| 9 | 4s | 282.0022 | 5s | 308.0129 | -0.1642714352302178E-03 |
| 10 | 2p | 89.5108 | 2p | 89.5108 | 0.4392475333329737E-02 |
| 11 | 2p | 182.2570 | 3p | 192.5677 | 0.7713615219505879E-03 |
| 12 | 4p | 272.3377 | 4p | 272.3377 | 0.3142583978317210E-03 |
| 13 | 2p | 105.2120 | 4p | 241.2574 | -0.5642366688342264E-03 |
| 14 | 3p | 474.2852 | 4p | 461.8976 | 0.7856459945793025E-04 |
| 15 | 3d | 235.3607 | 3d | 235.3607 | -0.7427925766931587E-03 |
| 16 | 4d | 360.9184 | 4d | 360.9184 | -0.3428273430891502E-03 |
| 17 | 5d | 497.7131 | 5d | 497.7131 | -0.1285602536584313E-03 |
| 18 | 3d | 117.7823 | 5d | 328.6309 | -0.1142757810297167E-03 |
| 19 | 4f | 390.9520 | 4f | 390.9520 | 0.2928316888886491E-03 |
| 20 | 5f | 511.4450 | 5f | 511.4450 | 0.1428447262871459E-03 |
| 21 | 5g | 570.0444 | 5g | 570.0444 | -0.1357024899727886E-03 |
Energy= -1134.90641504 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 | 33.45270 | 0.99083 |
| 2 | 1s | 61.75950 | 0.01291 |
| 3 | 1s | 73.80030 | -0.00262 |
Energy= -1134.8610 a.u.