RETURN

(2p2p) 1 D       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 2p 23.4783 2p 25.8166 0.7149702403649043E+00
2 2p 43.6925 4p 69.4912 -0.6813666390677538E-02
3 3p 60.9520 3p 60.9520 -0.2051964589847276E-02
4 4p 77.2821 3p 51.6497 0.3746444059512099E-02
5 4p 68.0971 2p 32.7582 0.1048146372374950E-01
6 2s 28.2406 3d 42.0316 0.2025972976806164E-01
7 1s 25.0000 3d 42.0316 0.1487360539984543E-02
8 3s 43.3269 4d 71.7983 0.2812995581515779E-02
9 1s 25.0000 4d 71.7983 0.3129469766975750E-03
10 2s 12.0028 5d 61.0510 0.1900024247932441E-03
11 1s 25.0000 5d 61.0510 -0.3930633755323483E-04
12 3s 85.9424 5d 113.0680 0.3298579953671816E-03
13 1s 25.0000 5d 113.0680 -0.2530003614067362E-04
14 4s 64.1185 4d 104.1523 0.8658906566218254E-03
15 1s 25.0000 4d 104.1523 0.3666622526535581E-04
16 3s 9.2935 3d 45.1132 -0.9348382634920460E-04
17 1s 25.0000 3d 45.1132 0.1001211641074721E-04
18 3d 48.8894 3d 48.8894 0.6499079484916980E-02
19 4d 71.0497 4d 71.0497 0.1558635123995491E-02
20 4d 111.7239 5d 100.9700 0.4432815490262407E-03
21 2p 31.4925 4f 75.0981 0.9330361636762001E-02
22 3p 40.6011 5f 107.3811 0.1051006253336409E-02
23 3d 50.2145 5g 120.0709 -0.1673030362453876E-02
24 2p 31.6751 2p 31.6751 -0.8011895491730019E-02
25 2p 41.4403 4f 72.8344 -0.3874307953295357E-02
26 1s 25.0000 3d 23.9954 0.1452551731187868E-02
27 1s 25.0000 4d 23.9970 0.1066864488290045E-02
28 1s 25.0000 5d 23.9970 0.8002357487319848E-03

Energy= -151.70346721 a.u.

RETURN