(1s 2 5d 1 ) 2 D Ne 7+
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 | 1.603101 | 3.52572239 |
| 2 | 4d | 1.602134 | -8.78914754 |
| 3 | 5d | 1.600645 | 5.95752720 |
| 4 | 3d | 10.778788 | .00041411 |
| 5 | 5d | 7.515268 | .00055705 |
| ORB.ENERGY,a.u. | -1.280700 | ||
| NORM | .999997 | < R > | 4.310149 | < R2 > | 21.072084 | < 1/R > | .320335 | < 1/R**2 > | .205602 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 9.301980 | .88465723 |
| 2 | 1s | 13.463175 | .11088874 |
| 3 | 2s | 7.900565 | .01394336 |
| 4 | 3s | 8.460056 | -.00880449 |
| 5 | 4s | 18.109632 | .00464887 |
| 6 | 5s | 21.108277 | -.00044679 |
| 7 | 5s | 8.201791 | .00033222 |
| ORB.ENERGY,a.u. | -43.564000 |
| NORM | 1.000000 | < R > | .155865 | < R2 > | .032554 | < 1/R > | 9.687382 | < 1/R**2 > | 189.309672 |
Total Energy= -95.14373620 a.u.
Kinetic Energy= 95.14166649 a.u.
Potential Energy= -190.28540269 a.u.
Virial Ratio = -2.00002175