(2s2s) 1 S Z= 8 O 6+
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 | 2s | 7.2875 | 2s | 8.4021 | 0.6293628213197001E+00 |
| 2 | 1s | 8.0000 | 2s | 8.4021 | -0.3071583241230514E-01 |
| 3 | 2s | 7.2875 | 1s | 8.0000 | 0.1779951106388026E-01 |
| 4 | 1s | 8.0000 | 1s | 8.0000 | -0.1228525784599263E-02 |
| 5 | 2s | 8.6116 | 3s | 15.2756 | 0.8508931078416332E-02 |
| 6 | 1s | 8.0000 | 3s | 15.2756 | 0.3670361329105147E-03 |
| 7 | 2s | 8.6116 | 1s | 8.0000 | 0.9736228735466980E-03 |
| 8 | 1s | 8.0000 | 1s | 8.0000 | 0.5939359055865374E-04 |
| 9 | 3s | 16.9674 | 4s | 17.4695 | -0.2885232475632271E-02 |
| 10 | 1s | 8.0000 | 4s | 17.4695 | -0.3109727332470310E-03 |
| 11 | 3s | 16.9674 | 1s | 8.0000 | -0.1664713536804159E-03 |
| 12 | 1s | 8.0000 | 1s | 8.0000 | -0.2537441320872631E-04 |
| 13 | 2p | 7.9841 | 2p | 7.0022 | 0.3471821160173791E+00 |
| 14 | 2p | 7.1708 | 4p | 13.7149 | -0.3874952482931527E-02 |
| 15 | 2p | 13.8235 | 4p | 25.7819 | 0.5709062047343224E-02 |
| 16 | 3d | 23.9383 | 3d | 23.9383 | 0.4235155736955603E-02 |
| 17 | 3d | 18.4738 | 4d | 44.5305 | -0.9134251367608082E-03 |
| 18 | 4f | 42.6679 | 4f | 42.6679 | -0.1047829428080273E-02 |
| 19 | 2p | 20.4964 | 2p | 20.4964 | -0.8178316083230372E-03 |
| 20 | 2p | 41.6702 | 3p | 44.4612 | 0.3251514850839062E-03 |
| 21 | 4p | 62.4365 | 4p | 62.4365 | -0.9042752800274944E-05 |
| 22 | 2p | 24.5672 | 4p | 55.5092 | -0.3300228132468832E-04 |
| 23 | 3p | 108.5883 | 4p | 105.8128 | 0.3318380776906650E-04 |
| 24 | 3d | 53.9929 | 3d | 53.9929 | -0.1101424977802731E-03 |
| 25 | 4d | 82.8251 | 4d | 82.8251 | -0.3691454476261306E-04 |
| 26 | 5d | 114.2856 | 5d | 114.2856 | 0.2070102028590450E-04 |
| 27 | 3d | 27.2975 | 5d | 75.3525 | -0.4662761271107348E-04 |
| 28 | 4f | 89.9654 | 4f | 89.9654 | 0.4104500746440364E-04 |
| 29 | 5f | 117.5952 | 5f | 117.5952 | -0.2382918816528778E-04 |
| 30 | 5g | 131.3359 | 5g | 131.3359 | 0.5174880501963431E-04 |
| 31 | 1s | 6.7257 | 1s | 8.6053 | 0.4753630808432562E-03 |
| 32 | 1s | 9.4286 | 4s | 61.7854 | 0.3783925068403957E-05 |
| 33 | 1s | 14.6928 | 2s | 18.2598 | -0.5343081028678200E-05 |
| 34 | 2s | 69.4092 | 4s | 68.3621 | 0.1723611334821683E-05 |
| 35 | 1s | 11.1837 | 3s | 22.0751 | -0.8950186699010329E-05 |
| 36 | 1s | 9.7952 | 2s | 25.4988 | 0.7715142802086050E-05 |
| 37 | 2s | 46.9920 | 3s | 32.6604 | -0.4199911988593565E-05 |
| 38 | 3s | 69.9574 | 4s | 59.0605 | -0.4152188083932640E-05 |
| 39 | 4s | 81.8878 | 5s | 84.4859 | -0.9364841408320624E-06 |
| 40 | 1s | 7.9931 | 2s | 7.0924 | 0.2359485789020521E-02 |
| 41 | 1s | 5.3389 | 2s | 18.9015 | 0.5164914392165920E-04 |
| 42 | 1s | 7.9937 | 3s | 7.1502 | 0.1380310970488498E-02 |
| 43 | 1s | 7.9950 | 4s | 7.1264 | 0.1288436128797267E-03 |
| 44 | 1s | 7.9975 | 5s | 7.1006 | 0.2747839285862237E-04 |
Energy= -15.04406234 a.u.