(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.