(1s1s) 1 S Z=19 K 17+
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 | 17.0672 | 1s | 20.3973 | 0.7101560010590418E+00 |
| 2 | 1s | 29.3043 | 4s | 130.3860 | 0.6107341609107758E-03 |
| 3 | 1s | 42.0312 | 2s | 51.2650 | -0.3415850365093991E-02 |
| 4 | 2s | 128.6459 | 4s | 132.4041 | 0.1235671441842733E-02 |
| 5 | 1s | 27.7858 | 3s | 51.8475 | -0.3323530084956315E-02 |
| 6 | 1s | 40.0420 | 2s | 74.8451 | 0.2655983443960816E-02 |
| 7 | 2s | 64.9264 | 3s | 106.7480 | -0.2023944603018269E-02 |
| 8 | 3s | 129.1801 | 4s | 126.9583 | -0.1881913402806461E-02 |
| 9 | 4s | 149.0740 | 5s | 180.0941 | -0.4758045207095580E-03 |
| 10 | 2p | 49.6999 | 2p | 49.6999 | 0.7854325371713001E-02 |
| 11 | 2p | 101.2067 | 3p | 106.9820 | 0.1377702642054541E-02 |
| 12 | 4p | 151.3844 | 4p | 151.3844 | 0.5610232408366430E-03 |
| 13 | 2p | 58.5634 | 4p | 134.1290 | -0.1001319961493249E-02 |
| 14 | 3p | 264.1216 | 4p | 257.0150 | 0.1349296402012179E-03 |
| 15 | 3d | 130.6537 | 3d | 130.6537 | -0.1320890161969818E-02 |
| 16 | 4d | 200.2714 | 4d | 200.2714 | -0.6107341609107758E-03 |
| 17 | 5d | 276.0351 | 5d | 276.0351 | -0.2272499203388934E-03 |
| 18 | 3d | 65.5576 | 5d | 182.0234 | -0.1988436802965317E-03 |
| 19 | 4f | 217.3450 | 4f | 217.3450 | 0.5184138807731004E-03 |
| 20 | 5f | 284.2823 | 5f | 284.2823 | 0.2556561603812550E-03 |
| 21 | 5g | 317.1129 | 5g | 317.1129 | -0.2414530403600742E-03 |
Energy= -349.28125375 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 | 18.45100 | 0.98329 |
| 2 | 1s | 33.60020 | 0.02105 |
| 3 | 1s | 43.31680 | -0.00230 |
Energy= -349.23606 a.u.