RETURN

(1s1s) 1 S       Z=28       Ni 26+

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 25.0964 1s 30.1868 0.7137935652014459E+00
2 1s 45.0656 4s 160.5568 0.1084966219106198E-02
3 1s 64.5305 2s 92.2357 -0.1891552947783832E-02
4 2s 108.8678 4s 203.4624 0.4782416886849688E-03
5 1s 35.3363 3s 77.7242 -0.5660382972047465E-02
6 1s 46.7641 2s 73.9457 0.5767452006827683E-02
7 2s 107.1099 3s 152.4102 -0.3283450399926651E-03
8 3s 165.5061 4s 181.8159 -0.4782416886849688E-03
9 4s 235.3547 5s 255.6992 -0.1927242626043904E-03
10 2p 73.6433 2p 73.6433 0.5310624125098758E-02
11 2p 150.9103 3p 157.1144 0.9279316347618796E-03
12 4p 223.8335 4p 223.8335 0.3854485252087808E-03
13 2p 85.9509 4p 198.2945 -0.6638280156373447E-03
14 3p 390.7683 4p 380.1270 0.9279316347618795E-04
15 3d 193.3754 3d 193.3754 -0.8993798921538218E-03
16 4d 296.4256 4d 296.4256 -0.4140002678168386E-03
17 5d 408.5510 5d 408.5510 -0.1570345843443181E-03
18 3d 96.8434 5d 269.4847 -0.1356207773882747E-03
19 4f 321.5721 4f 321.5721 0.3568967826007229E-03
20 5f 420.7066 5f 420.7066 0.1784483913003615E-03
21 5g 469.2558 5g 469.2558 -0.1641725199963326E-03

Energy= -766.65637113 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 27.45480 0.98915
2 1s 51.48940 0.01600
3 1s 60.97790 -0.00378

Energy= -766.61104 a.u.

RETURN