RETURN

(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.

RETURN