(1s1s) 1 S Z=21 Sc 19+
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 | 18.8434 | 1s | 22.5669 | 0.7116465160524622E+00 |
| 2 | 1s | 31.6480 | 4s | 144.7584 | 0.5337348870393467E-03 |
| 3 | 1s | 50.6562 | 2s | 74.7060 | -0.2291501781688929E-02 |
| 4 | 2s | 147.6612 | 4s | 152.1850 | 0.9749557269918732E-03 |
| 5 | 1s | 29.2049 | 3s | 58.4614 | -0.4397975469204216E-02 |
| 6 | 1s | 40.1333 | 2s | 84.9598 | 0.3252224578359753E-02 |
| 7 | 2s | 71.7151 | 3s | 127.1561 | -0.9820721921523978E-03 |
| 8 | 3s | 146.7664 | 4s | 144.3053 | -0.1530040009512794E-02 |
| 9 | 4s | 169.8194 | 5s | 203.0439 | -0.4198714444709527E-03 |
| 10 | 2p | 55.0139 | 2p | 55.0139 | 0.7095115765043048E-02 |
| 11 | 2p | 112.2324 | 3p | 118.0714 | 0.1245381403091809E-02 |
| 12 | 4p | 167.4345 | 4p | 167.4345 | 0.5123854915577729E-03 |
| 13 | 2p | 64.5993 | 4p | 148.3671 | -0.8966746102261024E-03 |
| 14 | 3p | 292.1430 | 4p | 284.2661 | 0.1209799077289186E-03 |
| 15 | 3d | 144.6323 | 3d | 144.6323 | -0.1202682612128661E-02 |
| 16 | 4d | 221.7639 | 4d | 221.7639 | -0.5550842825209205E-03 |
| 17 | 5d | 305.7376 | 5d | 305.7376 | -0.2063774896552141E-03 |
| 18 | 3d | 72.5033 | 5d | 201.7747 | -0.1850280941736402E-03 |
| 19 | 4f | 240.5453 | 4f | 240.5453 | 0.4696867005946250E-03 |
| 20 | 5f | 314.5598 | 5f | 314.5598 | 0.2348433502973125E-03 |
| 21 | 5g | 350.8206 | 5g | 350.8206 | -0.2206104199762633E-03 |
Energy= -428.03129263 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 | 20.45300 | 0.98523 |
| 2 | 1s | 37.72940 | 0.01946 |
| 3 | 1s | 47.29890 | -0.00285 |
Energy= -427.98605 a.u.