(1s1s) 1 S Z=31 Ga 29+
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 | 27.8566 | 1s | 33.4211 | 0.7132495835391286E+00 |
| 2 | 1s | 44.3822 | 4s | 169.3242 | 0.1462161646255214E-02 |
| 3 | 1s | 61.9733 | 2s | 103.4035 | -0.2410783592362255E-02 |
| 4 | 2s | 104.1317 | 4s | 219.1167 | 0.4707447251358249E-03 |
| 5 | 1s | 38.6053 | 3s | 84.2143 | -0.4743109730535205E-02 |
| 6 | 1s | 52.0994 | 2s | 76.7335 | 0.6169608897613462E-02 |
| 7 | 2s | 111.2140 | 3s | 162.1053 | -0.3637572876049556E-03 |
| 8 | 3s | 182.0504 | 4s | 195.2944 | -0.3922872709465208E-03 |
| 9 | 4s | 255.9058 | 5s | 279.5384 | -0.1854448917201734E-03 |
| 10 | 2p | 81.6725 | 2p | 81.6725 | 0.4778772209712161E-02 |
| 11 | 2p | 168.3633 | 3p | 172.9332 | 0.8273695169053892E-03 |
| 12 | 4p | 247.7186 | 4p | 247.7186 | 0.3566247917695643E-03 |
| 13 | 2p | 94.6534 | 4p | 219.5400 | -0.5848646585020855E-03 |
| 14 | 3p | 432.5830 | 4p | 420.6944 | 0.8558995002469544E-04 |
| 15 | 3d | 214.3659 | 3d | 214.3659 | -0.8131045252346066E-03 |
| 16 | 4d | 328.7238 | 4d | 328.7238 | -0.3780222792757382E-03 |
| 17 | 5d | 453.2560 | 5d | 453.2560 | -0.1426499167078257E-03 |
| 18 | 3d | 107.2842 | 5d | 299.2115 | -0.1212524292016519E-03 |
| 19 | 4f | 356.4326 | 4f | 356.4326 | 0.3209623125926079E-03 |
| 20 | 5f | 466.1953 | 5f | 466.1953 | 0.1569149083786083E-03 |
| 21 | 5g | 519.3450 | 5g | 519.3450 | -0.1497824125432170E-03 |
Energy= -941.78139277 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 | 30.45560 | 0.99028 |
| 2 | 1s | 57.32130 | 0.01451 |
| 3 | 1s | 67.74530 | -0.00356 |
Energy= -941.73604 a.u.