(1s1s) 1 S Z=36 Kr 34+
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 | 32.3496 | 1s | 38.8116 | 0.7147381540695027E+00 |
| 2 | 1s | 53.1414 | 4s | 203.3556 | 0.1186465335755375E-02 |
| 3 | 1s | 71.9276 | 2s | 123.4138 | -0.2108477554505033E-02 |
| 4 | 2s | 141.6324 | 4s | 260.5662 | 0.3573690770347514E-03 |
| 5 | 1s | 44.2616 | 3s | 100.8719 | -0.6175337651160504E-02 |
| 6 | 1s | 55.7735 | 2s | 89.8430 | 0.7933593510171481E-02 |
| 7 | 2s | 145.2865 | 3s | 198.8191 | -0.2001266831394607E-03 |
| 8 | 3s | 211.0744 | 4s | 232.4646 | -0.3788112216568364E-03 |
| 9 | 4s | 298.8939 | 5s | 326.2796 | -0.1572423938952906E-03 |
| 10 | 2p | 94.7644 | 2p | 94.7644 | 0.4166923438225200E-02 |
| 11 | 2p | 191.6235 | 3p | 205.9853 | 0.7361802986915879E-03 |
| 12 | 4p | 289.3106 | 4p | 289.3106 | 0.2930426431684961E-03 |
| 13 | 2p | 112.4115 | 4p | 256.0710 | -0.5503483786335171E-03 |
| 14 | 3p | 503.9418 | 4p | 490.9723 | 0.7147381540695028E-04 |
| 15 | 3d | 249.2558 | 3d | 249.2558 | -0.7004433909881126E-03 |
| 16 | 4d | 382.1438 | 4d | 382.1438 | -0.3216321693312762E-03 |
| 17 | 5d | 526.9734 | 5d | 526.9734 | -0.1215054861918155E-03 |
| 18 | 3d | 124.7428 | 5d | 347.8824 | -0.1072107231104254E-03 |
| 19 | 4f | 414.4702 | 4f | 414.4702 | 0.2716004985464111E-03 |
| 20 | 5f | 542.1817 | 5f | 542.1817 | 0.1358002492732055E-03 |
| 21 | 5g | 604.2863 | 5g | 604.2863 | -0.1286528677325105E-03 |
Energy= -1273.65642732 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 | 35.44860 | 0.99091 |
| 2 | 1s | 63.82420 | 0.01194 |
| 3 | 1s | 77.28000 | -0.00178 |
Energy= -1273.6110 a.u.