(1s1s) 1 S Z=33 As 31+
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 | 29.6538 | 1s | 35.5773 | 0.7139867687624700E+00 |
| 2 | 1s | 48.8141 | 4s | 184.6956 | 0.1249476845334323E-02 |
| 3 | 1s | 67.7520 | 2s | 111.4468 | -0.2184799512413158E-02 |
| 4 | 2s | 121.3790 | 4s | 236.3109 | 0.4141123258822326E-03 |
| 5 | 1s | 40.9652 | 3s | 91.5421 | -0.5597656267097765E-02 |
| 6 | 1s | 53.5010 | 2s | 83.1811 | 0.6854272980119712E-02 |
| 7 | 2s | 123.5448 | 3s | 177.2348 | -0.2713149721297386E-03 |
| 8 | 3s | 192.2700 | 4s | 211.2057 | -0.3998325905069832E-03 |
| 9 | 4s | 273.2990 | 5s | 298.6797 | -0.1713568245029928E-03 |
| 10 | 2p | 86.9629 | 2p | 86.9629 | 0.4498116643203562E-02 |
| 11 | 2p | 178.3681 | 3p | 185.4529 | 0.7853854456387171E-03 |
| 12 | 4p | 264.4052 | 4p | 264.4052 | 0.3284339136307362E-03 |
| 13 | 2p | 101.5409 | 4p | 234.0982 | -0.5640495473223513E-03 |
| 14 | 3p | 461.9372 | 4p | 449.1831 | 0.7853854456387171E-04 |
| 15 | 3d | 228.1834 | 3d | 228.1834 | -0.7711057102634676E-03 |
| 16 | 4d | 349.7184 | 4d | 349.7184 | -0.3569933843812350E-03 |
| 17 | 5d | 482.0056 | 5d | 482.0056 | -0.1285176183772446E-03 |
| 18 | 3d | 114.2299 | 5d | 317.9075 | -0.1142378830019952E-03 |
| 19 | 4f | 379.3553 | 4f | 379.3553 | 0.2998744428802374E-03 |
| 20 | 5f | 496.2257 | 5f | 496.2257 | 0.1499372214401187E-03 |
| 21 | 5g | 553.7442 | 5g | 553.7442 | -0.1427973537524940E-03 |
Energy= -1068.53140850 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 | 32.45440 | 0.99074 |
| 2 | 1s | 60.55150 | 0.01340 |
| 3 | 1s | 72.10310 | -0.00298 |
Energy= -1068.4860 a.u.