(2s2p) 1 P 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 | 7.2101 | 2p | 7.8954 | 0.8254480475384026E+00 |
2 | 1s | 8.0000 | 2p | 7.8954 | -0.4454158845744307E-01 |
3 | 2s | 10.6886 | 2p | 7.2399 | 0.1817215896874468E+00 |
4 | 1s | 8.0000 | 2p | 7.2399 | 0.3445964068946013E-01 |
5 | 3s | 13.9567 | 2p | 10.3602 | -0.2154880465651827E-01 |
6 | 1s | 8.0000 | 2p | 10.3602 | -0.2407494649594981E-02 |
7 | 2s | 7.4644 | 4p | 16.7714 | 0.2052944800651053E-01 |
8 | 1s | 8.0000 | 4p | 16.7714 | -0.7574820390297679E-03 |
9 | 4s | 21.5958 | 4p | 21.1443 | -0.7299328978270910E-02 |
10 | 1s | 8.0000 | 4p | 21.1443 | -0.2634810788599033E-03 |
11 | 3s | 23.6379 | 2p | 24.8845 | 0.2332679905537494E-02 |
12 | 1s | 8.0000 | 2p | 24.8845 | 0.1745984980132785E-04 |
13 | 5s | 28.4406 | 5p | 27.8173 | -0.2077147769973581E-02 |
14 | 1s | 8.0000 | 5p | 27.8173 | -0.1430962861040677E-04 |
15 | 2p | 6.0181 | 3d | 11.8084 | -0.8603473780653642E-01 |
16 | 4p | 17.3746 | 3d | 13.4920 | 0.2081219706471589E-01 |
17 | 3p | 17.5386 | 5d | 26.7058 | -0.6025234080913788E-02 |
18 | 2p | 21.7064 | 4d | 29.9456 | 0.6791782329237978E-02 |
19 | 5p | 40.4641 | 5d | 38.3282 | 0.1772127670856997E-02 |
20 | 4f | 22.9907 | 5g | 34.4011 | -0.5308140558287934E-02 |
21 | 2p | 16.2244 | 3d | 25.2557 | -0.5620722136833217E-02 |
22 | 2p | 9.9633 | 5d | 42.1709 | -0.7673562783228816E-03 |
23 | 3p | 27.0411 | 4d | 44.6639 | -0.6115619476860368E-03 |
24 | 3d | 30.7500 | 4f | 47.4063 | 0.1732880607935751E-02 |
25 | 4d | 43.8879 | 5f | 63.9254 | 0.2017059260248528E-02 |
26 | 1s | 8.0437 | 2p | 6.9536 | -0.6591759056033803E-03 |
27 | 1s | 6.4158 | 3p | 13.8502 | 0.3067393944148922E-05 |
28 | 2s | 17.1613 | 2p | 7.4517 | 0.3415052979433430E-05 |
29 | 2s | 14.1997 | 3p | 26.6396 | 0.1550652908548122E-05 |
30 | 1s | 7.7329 | 3p | 36.7491 | -0.7319198477424283E-06 |
31 | 1s | 7.9979 | 3p | 6.9630 | -0.1238071281844678E-03 |
32 | 1s | 8.0000 | 4p | 6.9660 | -0.1160003017954852E-03 |
33 | 1s | 8.0000 | 5p | 6.9724 | -0.8082817592163217E-04 |
Energy= -14.55397266 a.u.