(1s 2 5d 1 ) 2 D Cl 14+
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 | 3.002965 | 3.53746739 |
| 2 | 4d | 3.002134 | -8.82286314 |
| 3 | 5d | 3.000892 | 5.98001283 |
| 4 | 3d | 11.784164 | .00100686 |
| 5 | 5d | 19.121126 | -.00042239 |
| 6 | 4d | 55.156012 | .00001178 |
| ORB.ENERGY,a.u. | -4.504000 | ||
| NORM | 1.000000 | < R > | 2.299090 | < R2 > | 5.995506 | < 1/R > | .600449 | < 1/R**2 > | .721972 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 16.399348 | .93881157 |
| 2 | 1s | 25.824672 | .04857794 |
| 3 | 2s | 20.418330 | .01727904 |
| 4 | 3s | 15.225715 | .00038379 |
| 5 | 4s | 57.142255 | -.00062796 |
| 6 | 5s | 70.616490 | .00020855 |
| 7 | 3s | 97.287739 | -.00002659 |
| ORB.ENERGY,a.u. | -133.800000 |
| NORM | 1.000000 | < R > | .090231 | < R2 > | .010887 | < 1/R > | 16.687338 | < 1/R**2 > | 559.707920 |
Total Energy= -282.99134760 a.u.
Kinetic Energy= 282.98751167 a.u.
Potential Energy= -565.97885927 a.u.
Virial Ratio = -2.00001356