(1s1s) 1 S Z=18 Ar 16+
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 | 15.9528 | 1s | 19.4311 | 0.7132840961572110E+00 |
| 2 | 1s | 23.3315 | 4s | 129.0332 | 0.4850331853869035E-03 |
| 3 | 1s | 40.5331 | 2s | 80.5211 | -0.1241114327313547E-02 |
| 4 | 2s | 137.4738 | 4s | 139.1562 | 0.5848929588489130E-03 |
| 5 | 1s | 24.1888 | 3s | 50.4640 | -0.5863195270412274E-02 |
| 6 | 1s | 29.6410 | 2s | 79.4602 | 0.2974394680975570E-02 |
| 7 | 2s | 62.0063 | 3s | 75.1346 | -0.1012863416543240E-02 |
| 8 | 3s | 127.4572 | 4s | 124.8445 | -0.1169785917697826E-02 |
| 9 | 4s | 150.4648 | 5s | 174.1036 | -0.4707675034637593E-03 |
| 10 | 2p | 47.0153 | 2p | 47.0153 | 0.8309759720231508E-02 |
| 11 | 2p | 95.3970 | 3p | 101.6509 | 0.1462232397122283E-02 |
| 12 | 4p | 143.2719 | 4p | 143.2719 | 0.5848929588489130E-03 |
| 13 | 2p | 55.5905 | 4p | 126.9934 | -0.1069926144235817E-02 |
| 14 | 3p | 249.6411 | 4p | 243.0619 | 0.1426568192314422E-03 |
| 15 | 3d | 123.7052 | 3d | 123.7052 | -0.1398036828468134E-02 |
| 16 | 4d | 189.6676 | 4d | 189.6676 | -0.6419556865414899E-03 |
| 17 | 5d | 261.5020 | 5d | 261.5020 | -0.2353837517318796E-03 |
| 18 | 3d | 62.0749 | 5d | 172.5544 | -0.2139852288471633E-03 |
| 19 | 4f | 205.7548 | 4f | 205.7548 | 0.5492287540410525E-03 |
| 20 | 5f | 269.0659 | 5f | 269.0659 | 0.2710479565397402E-03 |
| 21 | 5g | 300.0975 | 5g | 300.0975 | -0.2567822746165960E-03 |
Energy= -312.90623665 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 | 17.45040 | 0.98224 |
| 2 | 1s | 31.64560 | 0.02200 |
| 3 | 1s | 41.48040 | -0.00208 |
Energy= -312.86106 a.u.