(2s2s) 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 | 2s | 19.9337 | 2s | 21.7996 | 0.6237228786458463E+00 |
| 2 | 1s | 21.0000 | 2s | 21.7996 | -0.1752018850198832E-01 |
| 3 | 2s | 19.9337 | 1s | 21.0000 | 0.1334317991942566E-01 |
| 4 | 1s | 21.0000 | 1s | 21.0000 | -0.5300556154314161E-03 |
| 5 | 2s | 26.6944 | 3s | 44.5362 | 0.1732230434968682E-02 |
| 6 | 1s | 21.0000 | 3s | 44.5362 | 0.2660678872286822E-03 |
| 7 | 2s | 26.6944 | 1s | 21.0000 | 0.1867159732724924E-03 |
| 8 | 1s | 21.0000 | 1s | 21.0000 | 0.4055862906306997E-04 |
| 9 | 3s | 42.6386 | 4s | 45.4428 | -0.1438904919290444E-02 |
| 10 | 1s | 21.0000 | 4s | 45.4428 | -0.1610208733114897E-03 |
| 11 | 3s | 42.6386 | 1s | 21.0000 | -0.8388671114067439E-04 |
| 12 | 1s | 21.0000 | 1s | 21.0000 | -0.1327572495087942E-04 |
| 13 | 2p | 21.1587 | 2p | 19.7605 | 0.3403092396975961E+00 |
| 14 | 2p | 18.6064 | 4p | 34.8007 | -0.1009801205806586E-02 |
| 15 | 2p | 35.7305 | 4p | 68.6416 | 0.2424769562091123E-02 |
| 16 | 3d | 66.6563 | 3d | 66.6563 | 0.1577035216475718E-02 |
| 17 | 3d | 53.7436 | 4d | 120.6370 | -0.4301005135842866E-03 |
| 18 | 4f | 114.5273 | 4f | 114.5273 | -0.4363338543608705E-03 |
| 19 | 2p | 55.0139 | 2p | 55.0139 | -0.3443536845279925E-03 |
| 20 | 2p | 112.2324 | 3p | 118.0714 | 0.1320594163099902E-03 |
| 21 | 4p | 167.4345 | 4p | 167.4345 | -0.6170563891319780E-05 |
| 22 | 2p | 64.5993 | 4p | 148.3671 | -0.1430678909798689E-04 |
| 23 | 3p | 292.1430 | 4p | 284.2661 | 0.1265560057105182E-04 |
| 24 | 3d | 144.6323 | 3d | 144.6323 | -0.3829531946819938E-04 |
| 25 | 4d | 221.7639 | 4d | 221.7639 | -0.1244762740193469E-04 |
| 26 | 5d | 305.7376 | 5d | 305.7376 | 0.6151802130656169E-05 |
| 27 | 3d | 72.5033 | 5d | 201.7747 | 0.1316363203816187E-04 |
| 28 | 4f | 240.5453 | 4f | 240.5453 | 0.1903524025455913E-04 |
| 29 | 5f | 314.5598 | 5f | 314.5598 | -0.1237123862206445E-04 |
| 30 | 5g | 350.8206 | 5g | 350.8206 | 0.2159106278430266E-04 |
| 31 | 1s | 18.8434 | 1s | 22.5669 | 0.2537927769126467E-03 |
| 32 | 1s | 31.6480 | 4s | 144.7584 | 0.1466700026594444E-05 |
| 33 | 1s | 50.6562 | 2s | 74.7060 | -0.8172127416587225E-06 |
| 34 | 2s | 147.6612 | 4s | 152.1850 | 0.1072925094571407E-05 |
| 35 | 1s | 29.2049 | 3s | 58.4614 | -0.1843004604681759E-05 |
| 36 | 1s | 40.1333 | 2s | 84.9598 | 0.1159832990490796E-05 |
| 37 | 2s | 71.7151 | 3s | 127.1561 | -0.5178968868713116E-06 |
| 38 | 3s | 146.7664 | 4s | 144.3053 | -0.1425769106862239E-05 |
| 39 | 4s | 169.8194 | 5s | 203.0439 | -0.2769237673562367E-06 |
| 40 | 1s | 21.0150 | 2s | 20.0612 | 0.1052883231485905E-02 |
| 41 | 1s | 13.3224 | 2s | 46.1576 | 0.1250800602031534E-04 |
| 42 | 1s | 20.9943 | 3s | 20.1361 | 0.6066900982780597E-03 |
| 43 | 1s | 20.9943 | 4s | 20.1222 | 0.1005776221793342E-03 |
| 44 | 1s | 21.0000 | 5s | 20.1016 | 0.7906009225338595E-04 |
Energy= -107.69650189 a.u.