(1s1s) 1 S Z=22 Ti 20+
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 | 19.7459 | 1s | 23.6422 | 0.7122468754344118E+00 |
| 2 | 1s | 25.3299 | 4s | 164.5458 | 0.3774908439802383E-03 |
| 3 | 1s | 50.9174 | 2s | 100.6585 | -0.1801984594849062E-02 |
| 4 | 2s | 166.2939 | 4s | 171.9614 | 0.5199402190671205E-03 |
| 5 | 1s | 29.4276 | 3s | 62.3701 | -0.5056952815584324E-02 |
| 6 | 1s | 40.8127 | 2s | 99.1648 | 0.3240723283226574E-02 |
| 7 | 2s | 71.4212 | 3s | 90.0005 | -0.9259209380647353E-03 |
| 8 | 3s | 155.7436 | 4s | 154.1664 | -0.9829006880994883E-03 |
| 9 | 4s | 183.7563 | 5s | 212.9687 | -0.3988582502432706E-03 |
| 10 | 2p | 57.6431 | 2p | 57.6431 | 0.6794835191644288E-02 |
| 11 | 2p | 117.1172 | 3p | 124.4379 | 0.1196574750729812E-02 |
| 12 | 4p | 175.5411 | 4p | 175.5411 | 0.4843278752954001E-03 |
| 13 | 2p | 68.0725 | 4p | 155.5628 | -0.8760636567843265E-03 |
| 14 | 3p | 305.7345 | 4p | 297.6737 | 0.1210819688238500E-03 |
| 15 | 3d | 151.5734 | 3d | 151.5734 | -0.1146717469449403E-02 |
| 16 | 4d | 232.3905 | 4d | 232.3905 | -0.5270626878214647E-03 |
| 17 | 5d | 320.3485 | 5d | 320.3485 | -0.1994291251216353E-03 |
| 18 | 3d | 76.0011 | 5d | 211.2457 | -0.1709392501042588E-03 |
| 19 | 4f | 252.1324 | 4f | 252.1324 | 0.4487155315236794E-03 |
| 20 | 5f | 329.7377 | 5f | 329.7377 | 0.2207965313846677E-03 |
| 21 | 5g | 367.5444 | 5g | 367.5444 | -0.2136740626303235E-03 |
Energy= -470.40631037 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 | 21.45430 | 0.98611 |
| 2 | 1s | 39.88550 | 0.01880 |
| 3 | 1s | 49.38710 | -0.00315 |
Energy= -470.36105 a.u.