(1s 1 4d 1 ) 3 D O 6+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3242.
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 | 2.101097 | 1.19727666 |
| 2 | 4d | 1.714353 | -1.78846224 |
| 3 | 5d | 2.539145 | .14258249 |
| 4 | 4d | 5.631263 | -.00581601 |
| 5 | 5d | 1.152956 | .00170803 |
| 6 | 5d | 14.215117 | -.00011462 |
| ORB.ENERGY,a.u. | -1.559500 | ||
| NORM | .999999 | < R > | 2.997871 | < R2 > | 10.272436 | < 1/R > | .438046 | < 1/R**2 > | .307440 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 7.868100 | .75740639 |
| 2 | 1s | 8.102369 | .25627303 |
| 3 | 2s | 7.924523 | -.01566730 |
| 4 | 3s | 7.876193 | -.00019739 |
| 5 | 4s | 6.875150 | .00012393 |
| ORB.ENERGY,a.u. | -31.559000 |
| NORM | 1.000000 | < R > | .187516 | < R2 > | .046886 | < 1/R > | 7.999618 | < 1/R**2 > | 127.990932 |
Total Energy= -33.53727828 a.u.
Kinetic Energy= 33.53202334 a.u.
Potential Energy= -67.06930162 a.u.
Virial Ratio = -2.00015671