(2s2s) 1 S Z= 5 B 3+
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 | 4.4080 | 2s | 5.2724 | 0.6350405986260050E+00 |
| 2 | 1s | 5.0000 | 2s | 5.2724 | -0.4084987762588148E-01 |
| 3 | 2s | 4.4080 | 1s | 5.0000 | 0.1947654610428570E-01 |
| 4 | 1s | 5.0000 | 1s | 5.0000 | -0.1771806171162015E-02 |
| 5 | 2s | 5.2455 | 3s | 9.4923 | 0.1507360757901113E-01 |
| 6 | 1s | 5.0000 | 3s | 9.4923 | 0.4163919566693315E-03 |
| 7 | 2s | 5.2455 | 1s | 5.0000 | 0.1725494956398277E-02 |
| 8 | 1s | 5.0000 | 1s | 5.0000 | 0.6740836897223463E-04 |
| 9 | 3s | 10.5994 | 4s | 10.8308 | -0.4310361812402660E-02 |
| 10 | 1s | 5.0000 | 4s | 10.8308 | -0.4648236694727464E-03 |
| 11 | 3s | 10.5994 | 1s | 5.0000 | -0.2510046547825795E-03 |
| 12 | 1s | 5.0000 | 1s | 5.0000 | -0.3827994292738707E-04 |
| 13 | 2p | 4.9458 | 2p | 4.0975 | 0.3545063081537070E+00 |
| 14 | 2p | 4.4984 | 4p | 8.5941 | -0.8013745491961332E-02 |
| 15 | 2p | 8.7102 | 4p | 15.8792 | 0.8222807413380164E-02 |
| 16 | 3d | 11.7930 | 3d | 11.7930 | 0.5388294691828738E-02 |
| 17 | 3d | 19.6822 | 4d | 43.9014 | -0.1828909844558299E-02 |
| 18 | 4f | 26.0467 | 4f | 26.0467 | -0.1540001448249713E-02 |
| 19 | 2p | 12.5444 | 2p | 12.5444 | -0.1153524503073465E-02 |
| 20 | 2p | 25.6429 | 3p | 27.1889 | 0.4805693319073741E-03 |
| 21 | 4p | 38.1440 | 4p | 38.1440 | -0.5347025568033244E-05 |
| 22 | 2p | 15.2215 | 4p | 34.0528 | -0.1323668562193368E-04 |
| 23 | 3p | 66.2450 | 4p | 64.5609 | 0.5025574045639620E-04 |
| 24 | 3d | 33.0847 | 3d | 33.0847 | 0.3208780992392119E-03 |
| 25 | 4d | 50.7882 | 4d | 50.7882 | -0.2124690952678920E-03 |
| 26 | 5d | 70.1528 | 5d | 70.1528 | -0.1715880771096044E-05 |
| 27 | 3d | 16.8624 | 5d | 46.2282 | 0.1235854220351095E-02 |
| 28 | 4f | 55.2180 | 4f | 55.2180 | 0.5645458810680481E-04 |
| 29 | 5f | 72.1285 | 5f | 72.1285 | -0.3461306116575293E-04 |
| 30 | 5g | 80.7251 | 5g | 80.7251 | 0.7522083064301092E-04 |
| 31 | 1s | 3.9343 | 1s | 5.3819 | 0.5098940002868905E-03 |
| 32 | 1s | 5.6207 | 4s | 37.4070 | 0.9378414414911877E-05 |
| 33 | 1s | 8.2850 | 2s | 10.9955 | -0.1047832170589560E-04 |
| 34 | 2s | 42.7474 | 4s | 42.0498 | 0.4014507551835137E-05 |
| 35 | 1s | 6.7749 | 3s | 13.3415 | -0.1414584678203932E-04 |
| 36 | 1s | 5.6057 | 2s | 14.9242 | 0.1563844898879892E-04 |
| 37 | 2s | 29.3060 | 3s | 19.9813 | -0.7258296388534108E-05 |
| 38 | 3s | 43.3140 | 4s | 36.4524 | -0.8441296885919345E-05 |
| 39 | 4s | 51.0528 | 5s | 52.4514 | -0.1856290304859019E-05 |
| 40 | 1s | 4.9966 | 2s | 4.1032 | 0.2962328187049079E-02 |
| 41 | 1s | 3.2618 | 2s | 11.7677 | 0.9251350928154272E-04 |
| 42 | 1s | 4.9958 | 3s | 4.1472 | 0.1861993200928404E-02 |
| 43 | 1s | 4.9964 | 4s | 4.1182 | 0.6893188124453195E-04 |
| 44 | 1s | 4.9979 | 5s | 4.0929 | -0.2198185502027107E-04 |
Energy= -5.66221255 a.u.