RETURN

(2s2s) 1 S       Z=24       Cr 22+

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 22.8293 2s 24.8991 0.6237532064982735E+00
2 1s 24.0000 2s 24.8991 -0.1683942826508373E-01
3 2s 22.8293 1s 24.0000 0.1312772393254493E-01
4 1s 24.0000 1s 24.0000 -0.5012091421742706E-03
5 2s 31.0245 3s 47.4655 0.1708187745284621E-02
6 1s 24.0000 3s 47.4655 0.2829065595499614E-03
7 2s 31.0245 1s 24.0000 0.1937792082588872E-03
8 1s 24.0000 1s 24.0000 0.4538680276866995E-04
9 3s 48.4607 4s 52.5667 -0.1269357125240798E-02
10 1s 24.0000 4s 52.5667 -0.1425324822484576E-03
11 3s 48.4607 1s 24.0000 -0.7297659444642092E-04
12 1s 24.0000 1s 24.0000 -0.1158853705521025E-04
13 2p 24.1906 2p 22.7239 0.3397796898997680E+00
14 2p 21.1736 4p 39.5125 -0.8415734602176596E-03
15 2p 40.7111 4p 78.4884 0.2149165788956475E-02
16 3d 76.5218 3d 76.5218 0.1375257903057825E-02
17 3d 61.9103 4d 138.0403 -0.3834565185300583E-03
18 4f 131.1613 4f 131.1613 -0.3857394325963751E-03
19 2p 62.9753 2p 62.9753 -0.3073531192372950E-03
20 2p 128.2898 3p 135.4389 0.1170322847295198E-03
21 4p 191.8070 4p 191.8070 -0.4653781247959934E-05
22 2p 74.1016 4p 169.8811 -0.1777242308294666E-04
23 3p 334.7541 4p 325.5885 0.1184689134426115E-04
24 3d 165.4872 3d 165.4872 -0.3336461021525075E-04
25 4d 253.6461 4d 253.6461 -0.8517508373383774E-05
26 5d 349.5116 5d 349.5116 0.4646465907874831E-05
27 3d 82.9364 5d 230.4798 0.1296502072225170E-04
28 4f 275.2520 4f 275.2520 0.1591693289447982E-04
29 5f 359.9768 5f 359.9768 -0.9347558875821902E-05
30 5g 401.4170 5g 401.4170 0.1934742240622380E-04
31 1s 21.4344 1s 25.8744 0.2308285397116923E-03
32 1s 39.7831 4s 138.3727 0.1345554803499117E-05
33 1s 61.2292 2s 79.7242 -0.4731985064089692E-06
34 2s 95.1561 4s 177.0589 0.5903711633891642E-06
35 1s 30.5696 3s 65.8474 -0.1491543517239731E-05
36 1s 39.8968 2s 64.4978 0.1551167786862572E-05
37 2s 100.3161 3s 123.9105 -0.2587635936957524E-06
38 3s 145.8322 4s 157.2176 -0.2642333029965394E-06
39 4s 205.8784 5s 221.7750 -0.8551692418922040E-07
40 1s 24.0084 2s 23.0789 0.9422033764941889E-03
41 1s 15.6373 2s 53.0829 0.8479830388447699E-05
42 1s 23.9887 3s 23.1433 0.4110689269539626E-03
43 1s 23.9965 4s 23.1276 0.2117573244607223E-04
44 1s 23.9965 5s 23.1039 0.2112912572929295E-04

Energy= -141.07777907 a.u.

RETURN