(1s1s) 1 S Z=14 Si 12+
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 | 12.0371 | 1s | 15.3516 | 0.7167123292214167E+00 |
| 2 | 1s | 17.8404 | 4s | 98.3329 | 0.9890630143255549E-03 |
| 3 | 1s | 26.2862 | 2s | 55.9710 | -0.1497928768072761E-02 |
| 4 | 2s | 103.8897 | 4s | 105.3940 | 0.7525479456824875E-03 |
| 5 | 1s | 18.5474 | 3s | 39.4627 | -0.1007697534885312E-01 |
| 6 | 1s | 23.1167 | 2s | 52.3154 | 0.4715967126276922E-02 |
| 7 | 2s | 45.1419 | 3s | 59.8583 | -0.2257643837047463E-02 |
| 8 | 3s | 94.3281 | 4s | 94.4925 | -0.1612602740748188E-02 |
| 9 | 4s | 112.5035 | 5s | 131.8038 | -0.6593753428837033E-03 |
| 10 | 2p | 36.4026 | 2p | 36.4026 | 0.1069334795198354E-01 |
| 11 | 2p | 73.8205 | 3p | 78.8898 | 0.1877786302560112E-02 |
| 12 | 4p | 110.9097 | 4p | 110.9097 | 0.7453808223902733E-03 |
| 13 | 2p | 43.2437 | 4p | 98.3954 | -0.1376087672105120E-02 |
| 14 | 3p | 192.9747 | 4p | 187.9999 | 0.1863452055975683E-03 |
| 15 | 3d | 95.8043 | 3d | 95.8043 | -0.1784613699761328E-02 |
| 16 | 4d | 146.8930 | 4d | 146.8930 | -0.8242191786046292E-03 |
| 17 | 5d | 202.5375 | 5d | 202.5375 | -0.3010191782729950E-03 |
| 18 | 3d | 48.1565 | 5d | 133.5967 | -0.2723506851041384E-03 |
| 19 | 4f | 159.4690 | 4f | 159.4690 | 0.6952109593447742E-03 |
| 20 | 5f | 208.4973 | 5f | 208.4973 | 0.3440219180262800E-03 |
| 21 | 5g | 232.6070 | 5g | 232.6070 | -0.3296876714418517E-03 |
Energy= -187.40611677 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 | 13.44850 | 0.97665 |
| 2 | 1s | 24.09300 | 0.02754 |
| 3 | 1s | 34.21320 | -0.00139 |
Energy= -187.36108 a.u.