RETURN

(1s1s) 1 S       Z=16       S 14+

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 14.2168 1s 17.2178 0.7112711109434907E+00
2 1s 25.4837 4s 109.9771 0.5619041776453576E-03
3 1s 38.8033 2s 44.1324 -0.2894873421540007E-02
4 2s 111.9361 4s 112.9483 0.1244724444151109E-02
5 1s 23.1028 3s 43.3902 -0.3890652976860894E-02
6 1s 31.7612 2s 66.0763 0.2709942932694700E-02
7 2s 57.4298 3s 90.3233 -0.1771065066249292E-02
8 3s 111.8575 4s 108.0246 -0.1941770132875730E-02
9 4s 128.6141 5s 153.5010 -0.5192279109887482E-03
10 2p 41.7283 2p 41.7283 0.9331876975578598E-02
11 2p 84.9352 3p 89.9242 0.1635923555170029E-02
12 4p 127.0330 4p 127.0330 0.6614821331774464E-03
13 2p 49.2825 4p 112.6449 -0.1187822755275629E-02
14 3p 221.3236 4p 215.4703 0.1635923555170029E-03
15 3d 109.7805 3d 109.7805 -0.1564796444075680E-02
16 4d 168.3531 4d 168.3531 -0.7254965331623606E-03
17 5d 232.1811 5d 232.1811 -0.2702830221585265E-03
18 3d 55.1275 5d 153.1995 -0.2418321777207869E-03
19 4f 182.6550 4f 182.6550 0.6116931554114020E-03
20 5f 238.8441 5f 238.8441 0.3058465777057010E-03
21 5g 266.3655 5g 266.3655 -0.2845084443773963E-03

Energy= -246.15618345 a.u.

Table 2. 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 15.44920 0.97973
2 1s 27.78430 0.02437
3 1s 37.82710 -0.00165

Energy= -246.11107 a.u.

RETURN