(1s 1 4d 1 ) 1 D C 4+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1242.
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 | 4d- electron | |
| 1 | 3d | 1.448207 | 1.25664714 |
| 2 | 4d | 1.233788 | -1.91746935 |
| 3 | 4d | 2.089280 | .05203844 |
| 4 | 5d | 1.726507 | .15175830 |
| 5 | 5d | 26.916294 | .00001757 |
| 6 | 4d | 7.198480 | -.00009133 |
| ORB.ENERGY,a.u. | -.789710 | ||
| NORM | 1.000001 | < R > | 4.201646 | < R2 > | 20.174587 | < 1/R > | .312297 | < 1/R**2 > | .155955 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 5.893003 | .75793560 |
| 2 | 1s | 6.102332 | .25569812 |
| 3 | 2s | 5.938904 | -.01544164 |
| 4 | 3s | 5.660156 | -.00035337 |
| ORB.ENERGY,a.u. | -17.665000 |
| NORM | 1.000000 | < R > | .249990 | < R2 > | .083325 | < 1/R > | 6.000132 | < 1/R**2 > | 72.002373 |
Total Energy= -18.78513113 a.u.
Kinetic Energy= 18.78102706 a.u.
Potential Energy= -37.56615819 a.u.
Virial Ratio = -2.00021852