(1s1s) 1 S Z=29 Cu 27+
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 | 26.0362 | 1s | 31.2649 | 0.7130212860035875E+00 |
| 2 | 1s | 41.8679 | 4s | 158.1351 | 0.1454563423447319E-02 |
| 3 | 1s | 59.4771 | 2s | 95.3045 | -0.2360100456671875E-02 |
| 4 | 2s | 96.5088 | 4s | 205.0372 | 0.4991149002025112E-03 |
| 5 | 1s | 36.3193 | 3s | 78.3417 | -0.4563336230422961E-02 |
| 6 | 1s | 49.7413 | 2s | 72.1195 | 0.5668519223728521E-02 |
| 7 | 2s | 103.9048 | 3s | 150.9952 | -0.4206825587421167E-03 |
| 8 | 3s | 171.7754 | 4s | 182.7140 | -0.4064221330220449E-03 |
| 9 | 4s | 240.4448 | 5s | 262.1283 | -0.1996459600810045E-03 |
| 10 | 2p | 76.3194 | 2p | 76.3194 | 0.5119492833505758E-02 |
| 11 | 2p | 156.7363 | 3p | 162.3823 | 0.8912766075044844E-03 |
| 12 | 4p | 231.7643 | 4p | 231.7643 | 0.3779012815819013E-03 |
| 13 | 2p | 88.8663 | 4p | 205.3703 | -0.6345889445431928E-03 |
| 14 | 3p | 404.5615 | 4p | 393.5474 | 0.9269276718046637E-04 |
| 15 | 3d | 200.3834 | 3d | 200.3834 | -0.8698859689243768E-03 |
| 16 | 4d | 307.1236 | 4d | 307.1236 | -0.3992919201620090E-03 |
| 17 | 5d | 423.3044 | 5d | 423.3044 | -0.1497344700607534E-03 |
| 18 | 3d | 100.3407 | 5d | 279.3445 | -0.1283438314806458E-03 |
| 19 | 4f | 333.1417 | 4f | 333.1417 | 0.3422502172817220E-03 |
| 20 | 5f | 435.7520 | 5f | 435.7520 | 0.1711251086408610E-03 |
| 21 | 5g | 486.0868 | 5g | 486.0868 | -0.1568646829207893E-03 |
Energy= -823.03137701 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 | 28.45520 | 0.98957 |
| 2 | 1s | 53.50200 | 0.01556 |
| 3 | 1s | 63.18330 | -0.00381 |
Energy= -822.98604 a.u.