RETURN

(2s2s) 1 S       Z=22       Ti 20+

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 20.8912 2s 22.8388 0.6238130371784267E+00
2 1s 22.0000 2s 22.8388 -0.1739436263900862E-01
3 2s 20.8912 1s 22.0000 0.1336309979469251E-01
4 1s 22.0000 1s 22.0000 -0.5269583403842793E-03
5 2s 28.1308 3s 44.9162 0.1777284176706439E-02
6 1s 22.0000 3s 44.9162 0.2804549755375595E-03
7 2s 28.1308 1s 22.0000 0.1981550343831296E-03
8 1s 22.0000 1s 22.0000 0.4422077843027545E-04
9 3s 44.5281 4s 47.8932 -0.1373063853869345E-02
10 1s 22.0000 4s 47.8932 -0.1539574271032628E-03
11 3s 44.5281 1s 22.0000 -0.7950801333014294E-04
12 1s 22.0000 1s 22.0000 -0.1260769836545021E-04
13 2p 22.1987 2p 20.7179 0.3401351336276255E+00
14 2p 19.7067 4p 36.4390 -0.9982448402869890E-03
15 2p 37.2529 4p 72.2287 0.2280222200006075E-02
16 3d 69.9159 3d 69.9159 0.1503982044180648E-02
17 3d 56.4218 4d 126.4963 -0.4122230957177106E-03
18 4f 120.0569 4f 120.0569 -0.4184573695961072E-03
19 2p 57.6431 2p 57.6431 -0.3070792603409953E-03
20 2p 117.1172 3p 124.4379 0.1273668515604653E-03
21 4p 175.5411 4p 175.5411 -0.5430072361622636E-05
22 2p 68.0725 4p 155.5628 -0.2208315042656274E-04
23 3p 305.7345 4p 297.6737 0.1265817833411766E-04
24 3d 151.5734 3d 151.5734 -0.3752371157938226E-04
25 4d 232.3905 4d 232.3905 -0.1000442852830013E-04
26 5d 320.3485 5d 320.3485 0.4634081030905676E-05
27 3d 76.0011 5d 211.2457 0.1242803544242566E-04
28 4f 252.1324 4f 252.1324 0.1674864930063356E-04
29 5f 329.7377 5f 329.7377 -0.1009465816053664E-04
30 5g 367.5444 5g 367.5444 0.2083641577731781E-04
31 1s 19.7459 1s 23.6422 0.2497087539870672E-03
32 1s 25.3299 4s 164.5458 0.1046403893971238E-05
33 1s 50.9174 2s 100.6585 -0.6317631475872802E-06
34 2s 166.2939 4s 171.9614 0.7162066458761467E-06
35 1s 29.4276 3s 62.3701 -0.1558228197975359E-05
36 1s 40.8127 2s 99.1648 0.1136174830641156E-05
37 2s 71.4212 3s 90.0005 -0.1218609727405863E-05
38 3s 155.7436 4s 154.1664 -0.1142518658079828E-05
39 4s 183.7563 5s 212.9687 -0.3873861347296049E-06
40 1s 22.0048 2s 21.0717 0.1204936293730937E-02
41 1s 14.2015 2s 47.6789 0.1196648826621451E-04
42 1s 21.9940 3s 21.1491 0.5583783904692787E-03
43 1s 21.9960 4s 21.1299 0.5682661226007654E-04
44 1s 21.9960 5s 21.1082 0.2474972869945853E-04

Energy= -118.32347596 a.u.

RETURN