(1s 1 3d 1 ) 1 D O 6+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1232.
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 | 3d- electron | |
| 1 | 3d | 2.370901 | .95226447 |
| 2 | 4d | 2.269541 | .05715322 |
| 3 | 4d | 4.877456 | -.00213824 |
| 4 | 5d | 2.136742 | -.00414549 |
| 5 | 5d | 13.036497 | -.00031478 |
| ORB.ENERGY,a.u. | -2.749200 | ||
| NORM | 1.000000 | < R > | 1.500681 | < R2 > | 2.573542 | < 1/R > | .777315 | < 1/R**2 > | .724895 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 7.868388 | .75743980 |
| 2 | 1s | 8.102369 | .25627496 |
| 3 | 2s | 7.920832 | -.01566817 |
| 4 | 3s | 6.596107 | -.00023557 |
| ORB.ENERGY,a.u. | -31.194000 |
| NORM | 1.000000 | < R > | .187486 | < R2 > | .046866 | < 1/R > | 8.000318 | < 1/R**2 > | 128.007583 |
Total Energy= -34.73361525 a.u.
Kinetic Energy= 34.72152323 a.u.
Potential Energy= -69.45513848 a.u.
Virial Ratio = -2.00034826