RETURN

(2s2s) 1 S       Z=25       Mn 23+

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 23.8632 2s 25.8492 0.6237997899802982E+00
2 1s 25.0000 2s 25.8492 -0.1571031253243862E-01
3 2s 23.8632 1s 25.0000 0.1189862673869685E-01
4 1s 25.0000 1s 25.0000 -0.4237907168492290E-03
5 2s 28.2982 3s 50.1693 0.2028469456064939E-02
6 1s 25.0000 3s 50.1693 0.1515833685870719E-03
7 2s 28.2982 1s 25.0000 0.2285596984543136E-03
8 1s 25.0000 1s 25.0000 0.2415448229224143E-04
9 3s 52.7148 4s 54.2297 -0.1013931091814148E-02
10 1s 25.0000 4s 54.2297 -0.1099594525899594E-03
11 3s 52.7148 1s 25.0000 -0.5895192825947982E-04
12 1s 25.0000 1s 25.0000 -0.9041430353035411E-05
13 2p 25.0856 2p 23.8298 0.3395391215038731E+00
14 2p 21.1076 4p 40.8482 -0.6578534046264834E-03
15 2p 42.8284 4p 80.6412 0.2201675405633620E-02
16 3d 79.8526 3d 79.8526 0.1319512280807694E-02
17 3d 64.6031 4d 143.9118 -0.3702876125227815E-03
18 4f 136.6780 4f 136.6780 -0.3702876125227815E-03
19 2p 65.5783 2p 65.5783 -0.3598646907172706E-03
20 2p 132.8361 3p 141.9462 0.1122670583402245E-03
21 4p 200.1300 4p 200.1300 -0.3898984426322433E-05
22 2p 77.4495 4p 177.1722 -0.1064665607759617E-04
23 3p 349.3934 4p 339.8462 0.1106694151181935E-04
24 3d 172.5092 3d 172.5092 -0.3254840955423638E-04
25 4d 264.5017 4d 264.5017 -0.8664409875189277E-05
26 5d 364.6693 5d 364.6693 0.3890933100361065E-05
27 3d 86.4213 5d 240.6528 0.1292089466400795E-04
28 4f 286.7781 4f 286.7781 0.1498219079946148E-04
29 5f 375.0614 5f 375.0614 -0.9210477552936929E-05
30 5g 418.4803 5g 418.4803 0.1859942184666463E-04
31 1s 22.3275 1s 26.9525 0.2221822038275753E-03
32 1s 39.9344 4s 143.4429 0.1286371201348485E-05
33 1s 61.7609 2s 85.0833 -0.4177025431958416E-06
34 2s 102.0672 4s 184.4206 0.5514655313044298E-06
35 1s 31.5549 3s 68.6536 -0.1414120685755041E-05
36 1s 39.3930 2s 64.6914 0.1681919282974745E-05
37 2s 110.6273 3s 135.4627 -0.1920779422294289E-06
38 3s 154.4752 4s 164.5495 -0.2479089111498145E-06
39 4s 216.4462 5s 232.4848 -0.7747935562838061E-07
40 1s 25.0089 2s 24.0813 0.8829673553215254E-03
41 1s 16.2653 2s 55.4643 0.7478733499573319E-05
42 1s 24.9904 3s 24.1455 0.3772065721230280E-03
43 1s 24.9904 4s 24.1291 0.1176363414929036E-04
44 1s 24.9985 5s 24.1045 0.1645216784843077E-04

Energy= -153.20487621 a.u.

RETURN