(2s2s) 1 S Z= 4 Be 2+
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 | 3.4559 | 2s | 4.2185 | 0.6394662941064396E+00 |
2 | 1s | 4.0000 | 2s | 4.2185 | -0.4698684038754677E-01 |
3 | 2s | 3.4559 | 1s | 4.0000 | 0.1966480163789620E-01 |
4 | 1s | 4.0000 | 1s | 4.0000 | -0.2043445935393878E-02 |
5 | 2s | 4.1291 | 3s | 7.5528 | 0.2017788457459101E-01 |
6 | 1s | 4.0000 | 3s | 7.5528 | 0.3656163708323820E-03 |
7 | 2s | 4.1291 | 1s | 4.0000 | 0.2310113681366643E-02 |
8 | 1s | 4.0000 | 1s | 4.0000 | 0.5919681627293624E-04 |
9 | 3s | 8.4865 | 4s | 8.6227 | -0.5114670258364635E-02 |
10 | 1s | 4.0000 | 4s | 8.6227 | -0.5510645375932587E-03 |
11 | 3s | 8.4865 | 1s | 4.0000 | -0.2994256931589786E-03 |
12 | 1s | 4.0000 | 1s | 4.0000 | -0.4562353007276081E-04 |
13 | 2p | 3.9338 | 2p | 3.1437 | 0.3596328545250828E+00 |
14 | 2p | 3.5976 | 4p | 6.8356 | -0.1132909425648404E-01 |
15 | 2p | 6.9931 | 4p | 12.5747 | 0.9616874949603236E-02 |
16 | 3d | 9.0778 | 3d | 9.0778 | 0.7025473168177453E-02 |
17 | 3d | 15.7669 | 4d | 34.4855 | -0.2157646445673353E-02 |
18 | 4f | 20.5095 | 4f | 20.5095 | -0.1819805321005540E-02 |
19 | 2p | 9.9029 | 2p | 9.9029 | -0.1353072915001631E-02 |
20 | 2p | 20.6403 | 3p | 20.9402 | 0.5593692808903573E-03 |
21 | 4p | 29.9491 | 4p | 29.9491 | 0.6237805669261326E-05 |
22 | 2p | 11.8033 | 4p | 26.8420 | 0.4979927809018107E-04 |
23 | 3p | 52.1254 | 4p | 50.7207 | 0.5981577765094448E-04 |
24 | 3d | 26.1122 | 3d | 26.1122 | 0.4089876587388537E-03 |
25 | 4d | 40.1011 | 4d | 40.1011 | -0.2657286265805795E-03 |
26 | 5d | 55.4245 | 5d | 55.4245 | -0.2005702495182776E-05 |
27 | 3d | 13.3837 | 5d | 36.4937 | 0.1361787078019904E-02 |
28 | 4f | 43.6333 | 4f | 43.6333 | 0.6169761530383905E-04 |
29 | 5f | 56.9726 | 5f | 56.9726 | -0.4091976738009171E-04 |
30 | 5g | 63.8382 | 5g | 63.8382 | 0.8882421073392199E-04 |
31 | 1s | 3.0462 | 1s | 4.2756 | 0.4425317794033666E-03 |
32 | 1s | 4.3147 | 4s | 29.5589 | 0.1307640309927796E-04 |
33 | 1s | 6.1610 | 2s | 8.7314 | -0.1469648039398580E-04 |
34 | 2s | 33.6701 | 4s | 33.2781 | 0.5490242962224673E-05 |
35 | 1s | 5.4443 | 3s | 10.4077 | -0.1521732705793878E-04 |
36 | 1s | 4.3454 | 2s | 11.5779 | 0.1886955507375955E-04 |
37 | 2s | 23.5640 | 3s | 15.7787 | -0.8752360953094344E-05 |
38 | 3s | 34.2939 | 4s | 28.9063 | -0.1098714365053996E-04 |
39 | 4s | 40.5363 | 5s | 41.6952 | -0.2328693553239131E-05 |
40 | 1s | 3.9972 | 2s | 3.1114 | 0.3232312216652225E-02 |
41 | 1s | 2.5756 | 2s | 9.3910 | 0.1154905155009840E-03 |
42 | 1s | 3.9979 | 3s | 3.1453 | 0.2054763479673025E-02 |
43 | 1s | 3.9977 | 4s | 3.1134 | -0.2321874544084873E-04 |
44 | 1s | 3.9989 | 5s | 3.0897 | -0.7484716146689606E-04 |
Energy= -3.53470753 a.u.