RETURN

(1s1s) 1 S       Z=23       V 21+

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 1s 20.5413 1s 24.7963 0.7137537720671883E+00
2 1s 37.7684 4s 156.0962 0.7208913097878602E-03
3 1s 59.0063 2s 69.4237 -0.1577395836268486E-02
4 2s 177.6844 4s 176.7094 0.4211147255196411E-03
5 1s 30.2951 3s 65.5011 -0.6330995958235959E-02
6 1s 39.5238 2s 70.8719 0.4532336452626645E-02
7 2s 85.7902 3s 100.5147 -0.7137537720671883E-03
8 3s 161.9744 4s 158.7584 -0.9064672905253292E-03
9 4s 191.9935 5s 222.6400 -0.3640144237542661E-03
10 2p 60.3064 2p 60.3064 0.6480884250370069E-02
11 2p 123.0088 3p 129.3057 0.1134868497586829E-02
12 4p 183.3228 4p 183.3228 0.4639399518436724E-03
13 2p 70.6369 4p 162.5236 -0.8208168378772665E-03
14 3p 319.4143 4p 310.9999 0.1142006035307501E-03
15 3d 158.5466 3d 158.5466 -0.1099180808983470E-02
16 4d 243.0481 4d 243.0481 -0.5067651781677036E-03
17 5d 334.9983 5d 334.9983 -0.1855759807374689E-03
18 3d 79.4475 5d 221.0644 -0.1641633675754533E-03
19 4f 263.6309 4f 263.6309 0.4282522632403129E-03
20 5f 344.7509 5f 344.7509 0.2141261316201565E-03
21 5g 384.6761 5g 384.6761 -0.1998510561788127E-03

Energy= -514.78132447 a.u.

Table 1. Clementi E., Roetti C.// At. Data Nucl. Data Tables 14, 177, (1974)

Ψ( r 1 , r 2 ) = F( r 1 ) F( r 2 ) ;       F( r ) = Σ j   C j   φ 1s ( α j , r )

j R n,l (α,r) C
n l α
1 1s 22.45530 0.98687
2 1s 42.04130 0.01825
3 1s 51.49010 -0.00345

Energy= -514.73605 a.u.

RETURN