(1s5s) 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 | 1s | 3.0000 | 5s | 2.0853 | 0.1000289364032817E+01 |
2 | 2s | 24.6199 | 4s | 24.3412 | -0.2278160555554451E-03 |
3 | 2s | 17.4214 | 3s | 11.5207 | -0.3071837746300258E-03 |
4 | 3s | 25.1567 | 4s | 21.1630 | 0.2261809119129149E-03 |
5 | 4s | 29.7353 | 5s | 30.6499 | 0.1349311469921791E-03 |
6 | 2p | 7.2459 | 2p | 7.2459 | 0.2020310175073827E-02 |
7 | 2p | 15.5972 | 3p | 14.6395 | 0.4744870391320333E-03 |
8 | 4p | 21.7096 | 4p | 21.7096 | 0.1728202122391446E-04 |
9 | 2p | 8.1020 | 4p | 19.7161 | -0.1188500926508365E-02 |
10 | 3p | 37.9856 | 4p | 36.8482 | 0.1217800466273945E-03 |
11 | 3d | 19.1417 | 3d | 19.1417 | -0.3983349119233141E-03 |
12 | 4d | 29.4220 | 4d | 29.4220 | 0.1068346939562280E-03 |
13 | 5d | 40.7121 | 5d | 40.7121 | -0.3136540450266633E-04 |
14 | 3d | 9.9077 | 5d | 26.7671 | 0.5173207082261627E-03 |
15 | 4f | 32.0497 | 4f | 32.0497 | 0.1416074743520145E-03 |
16 | 5f | 41.8215 | 5f | 41.8215 | 0.2610064631750522E-04 |
17 | 5g | 46.9528 | 5g | 46.9528 | -0.6438308261969214E-04 |
18 | 1s | 2.1439 | 1s | 3.1818 | -0.1877943553698074E-01 |
19 | 1s | 3.1350 | 4s | 21.5194 | -0.1761838266252601E-03 |
20 | 1s | 4.5258 | 2s | 6.3462 | 0.8550276999987329E-03 |
21 | 1s | 4.0278 | 3s | 7.4513 | 0.2660471026317663E-03 |
22 | 1s | 3.1609 | 2s | 8.4215 | -0.1053526333624619E-02 |
23 | 1s | 2.9975 | 2s | 2.1241 | -0.9880495843698506E-02 |
24 | 1s | 1.9132 | 2s | 6.9860 | -0.4094477477628662E-03 |
25 | 1s | 3.0000 | 3s | 2.1437 | -0.1640185505056999E-01 |
26 | 1s | 2.9987 | 4s | 2.1083 | -0.2082708335362595E-01 |
Energy= -4.58187535 a.u.