(2s2s) 1 S Z= 3 Li 1+
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 | 2.5102 | 2s | 3.1644 | 0.6464460857662983E+00 |
| 2 | 1s | 3.0000 | 2s | 3.1644 | -0.5645486463684582E-01 |
| 3 | 2s | 2.5102 | 1s | 3.0000 | 0.1994352393566458E-01 |
| 4 | 1s | 3.0000 | 1s | 3.0000 | -0.2463122190544920E-02 |
| 5 | 2s | 3.0890 | 3s | 5.6803 | 0.2722329894577795E-01 |
| 6 | 1s | 3.0000 | 3s | 5.6803 | 0.4532523515004946E-03 |
| 7 | 2s | 3.0890 | 1s | 3.0000 | 0.3116594207651156E-02 |
| 8 | 1s | 3.0000 | 1s | 3.0000 | 0.7338284932771990E-04 |
| 9 | 3s | 6.2511 | 4s | 6.3329 | -0.6480888405736181E-02 |
| 10 | 1s | 3.0000 | 4s | 6.3329 | -0.7109313156097733E-03 |
| 11 | 3s | 6.2511 | 1s | 3.0000 | -0.3873623036371944E-03 |
| 12 | 1s | 3.0000 | 1s | 3.0000 | -0.6009321701293367E-04 |
| 13 | 2p | 2.9243 | 2p | 2.2053 | 0.3686231990257538E+00 |
| 14 | 2p | 2.6929 | 4p | 5.0308 | -0.1753356255821044E-01 |
| 15 | 2p | 5.2332 | 4p | 9.2858 | 0.1147019400834471E-01 |
| 16 | 3d | 6.3555 | 3d | 6.3555 | 0.9931823431467951E-02 |
| 17 | 3d | 11.8099 | 4d | 25.1065 | -0.2703412729239494E-02 |
| 18 | 4f | 14.9757 | 4f | 14.9757 | -0.2214223759186633E-02 |
| 19 | 2p | 7.2459 | 2p | 7.2459 | -0.1645419434053529E-02 |
| 20 | 2p | 15.5972 | 3p | 14.6395 | 0.6782683844996067E-03 |
| 21 | 4p | 21.7096 | 4p | 21.7096 | 0.4116564117231733E-04 |
| 22 | 2p | 8.1020 | 4p | 19.7161 | 0.1662688099025011E-03 |
| 23 | 3p | 37.9856 | 4p | 36.8482 | 0.7385830074576200E-04 |
| 24 | 3d | 19.1417 | 3d | 19.1417 | 0.5854559382958315E-03 |
| 25 | 4d | 29.4220 | 4d | 29.4220 | -0.3541073402016106E-03 |
| 26 | 5d | 40.7121 | 5d | 40.7121 | -0.7811622683156253E-05 |
| 27 | 3d | 9.9077 | 5d | 26.7671 | 0.1548017404681702E-02 |
| 28 | 4f | 32.0497 | 4f | 32.0497 | 0.6274108877250901E-04 |
| 29 | 5f | 41.8215 | 5f | 41.8215 | -0.4998959975245734E-04 |
| 30 | 5g | 46.9528 | 5g | 46.9528 | 0.1088052566392087E-03 |
| 31 | 1s | 2.1439 | 1s | 3.1818 | 0.1616408528213496E-03 |
| 32 | 1s | 3.1350 | 4s | 21.5194 | 0.1736249080300549E-04 |
| 33 | 1s | 4.5258 | 2s | 6.3462 | -0.7359508028956046E-05 |
| 34 | 2s | 24.6199 | 4s | 24.3412 | 0.6860457667353992E-05 |
| 35 | 1s | 4.0278 | 3s | 7.4513 | -0.1795141341865007E-04 |
| 36 | 1s | 3.1609 | 2s | 8.4215 | 0.9068051843277711E-05 |
| 37 | 2s | 17.4214 | 3s | 11.5207 | -0.9536530024065486E-05 |
| 38 | 3s | 25.1567 | 4s | 21.1630 | -0.1295325735722469E-04 |
| 39 | 4s | 29.7353 | 5s | 30.6499 | -0.2625945037136002E-05 |
| 40 | 1s | 2.9975 | 2s | 2.1241 | 0.3460075249354791E-02 |
| 41 | 1s | 1.9132 | 2s | 6.9860 | 0.1433855183332625E-03 |
| 42 | 1s | 3.0000 | 3s | 2.1437 | 0.2119063631196382E-02 |
| 43 | 1s | 2.9987 | 4s | 2.1083 | -0.1752020700245650E-03 |
| 44 | 1s | 3.0000 | 5s | 2.0853 | -0.1828418779776510E-03 |
Energy= -1.90693773 a.u.