(1s 2 2s 2 2p 2 5d 1 ) 2 D Ne 3+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2252.
N.V.Novikov // Wave Function Value Database;
http://cdfe.sinp.msu.ru/services/wftables/
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 5d- electron | |
| 1 | 3d | .979892 | 1.80381076 |
| 2 | 4d | .878284 | -4.35064328 |
| 3 | 5d | .773828 | 3.22919793 |
| 4 | 3d | 4.446577 | .00920737 |
| 5 | 4d | .516900 | -.15412224 |
| 6 | 5d | 1.328476 | .10478937 |
| 7 | 5d | .510707 | .04629085 |
| ORB.ENERGY,a.u. | -.320420 | ||
| NORM | .999997 | < R > | 8.592123 | < R2 > | 83.890541 | < 1/R > | .162601 | < 1/R**2 > | .054844 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 3.250745 | .79706689 |
| 2 | 2p | 5.154637 | .22326357 |
| 3 | 2p | 11.489965 | .00872586 |
| 4 | 3p | 2.440317 | .00512248 |
| 5 | 4p | 3.928451 | -.00211753 |
| 6 | 4p | 8.761387 | -.00851330 |
| 7 | 5p | 12.053858 | .00389115 |
| ORB.ENERGY,a.u. | -4.433100 | ||
| NORM | 1.000000 | < R > | .699579 | < R2 > | .599884 | < 1/R > | 1.834823 | < 1/R**2 > | 4.643263 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 8.188805 | .35191903 |
| 2 | 2s | 3.946497 | -.83995116 |
| 3 | 3s | 3.675136 | -.27773923 |
| 4 | 4s | 11.678768 | .01596586 |
| 5 | 3s | 14.146655 | .00870607 |
| 6 | 5s | 3.720170 | -.01358675 |
| 7 | 5s | 35.143792 | -.00040868 |
| 8 | 4s | 52.102506 | -.00010228 |
| ORB.ENERGY,a.u. | -3.873300 | ||
| NORM | 1.000000 | < R > | .767095 | < R2 > | .693782 | < 1/R > | 1.886034 | < 1/R**2 > | 14.482696 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 8.709679 | .61343576 |
| 2 | 1s | 13.272169 | .30146693 |
| 3 | 1s | 5.783586 | .00696766 |
| 4 | 2s | 10.367767 | .13443973 |
| 5 | 3s | 10.773390 | -.04339365 |
| 6 | 4s | 18.417411 | .00289862 |
| 7 | 5s | 61.054277 | -.00003967 |
| 8 | 5s | 5.773352 | .00027174 |
| ORB.ENERGY,a.u. | -35.222000 |
| NORM | 1.000000 | < R > | .156992 | < R2 > | .033125 | < 1/R > | 9.641309 | < 1/R**2 > | 187.880422 |
Total Energy= -120.87345471 a.u.
Kinetic Energy= 120.86398655 a.u.
Potential Energy= -241.73744126 a.u.
Virial Ratio = -2.00007834