(1s1s) 1 S Z=25 Mn 23+
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 | 22.3275 | 1s | 26.9525 | 0.7141153273711989E+00 |
| 2 | 1s | 39.9344 | 4s | 143.4429 | 0.1192572596709902E-02 |
| 3 | 1s | 61.7609 | 2s | 85.0833 | -0.1342536815457854E-02 |
| 4 | 2s | 102.0672 | 4s | 184.4206 | 0.4784572693387033E-03 |
| 5 | 1s | 31.5549 | 3s | 68.6536 | -0.5577240706769063E-02 |
| 6 | 1s | 39.3930 | 2s | 64.6914 | 0.5405853028199976E-02 |
| 7 | 2s | 110.6273 | 3s | 135.4627 | -0.2856461309484796E-03 |
| 8 | 3s | 154.4752 | 4s | 164.5495 | -0.4713161160649913E-03 |
| 9 | 4s | 216.4462 | 5s | 232.4848 | -0.1999522916639357E-03 |
| 10 | 2p | 65.5783 | 2p | 65.5783 | 0.5991427596644359E-02 |
| 11 | 2p | 132.8361 | 3p | 141.9462 | 0.1056890684509374E-02 |
| 12 | 4p | 200.1300 | 4p | 200.1300 | 0.4213280431490074E-03 |
| 13 | 2p | 77.4495 | 4p | 177.1722 | -0.7783857068346068E-03 |
| 14 | 3p | 349.3934 | 4p | 339.8462 | 0.9997614583196783E-04 |
| 15 | 3d | 172.5092 | 3d | 172.5092 | -0.1006902611593390E-02 |
| 16 | 4d | 264.5017 | 4d | 264.5017 | -0.4641749627912792E-03 |
| 17 | 5d | 364.6693 | 5d | 364.6693 | -0.1713876785690877E-03 |
| 18 | 3d | 86.4213 | 5d | 240.6528 | -0.1499642187479518E-03 |
| 19 | 4f | 286.7781 | 4f | 286.7781 | 0.3927634300541594E-03 |
| 20 | 5f | 375.0614 | 5f | 375.0614 | 0.1928111383902237E-03 |
| 21 | 5g | 418.4803 | 5g | 418.4803 | -0.1856699851165117E-03 |
Energy= -609.53134174 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 | 24.45290 | 0.98758 |
| 2 | 1s | 45.31270 | 0.01737 |
| 3 | 1s | 54.52530 | -0.00341 |
Energy= -609.48604 a.u.