(1s 1 4d 1 ) 1 D O 6+
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 | 2.033808 | 1.24167161 |
| 2 | 4d | 1.725227 | -1.89925437 |
| 3 | 4d | 2.964516 | .05080898 |
| 4 | 5d | 2.433818 | .15025300 |
| 5 | 5d | 37.327356 | .00001599 |
| 6 | 4d | .920135 | .00044568 |
| ORB.ENERGY,a.u. | -1.558400 | ||
| NORM | 1.000000 | < R > | 3.000985 | < R2 > | 10.291935 | < 1/R > | .437264 | < 1/R**2 > | .305778 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 7.868196 | .75744594 |
| 2 | 1s | 8.102468 | .25627392 |
| 3 | 2s | 7.923583 | -.01566838 |
| 4 | 3s | 7.354886 | -.00021123 |
| ORB.ENERGY,a.u. | -31.558000 |
| NORM | 1.000000 | < R > | .187493 | < R2 > | .046871 | < 1/R > | 8.000159 | < 1/R**2 > | 128.003841 |
Total Energy= -33.53720578 a.u.
Kinetic Energy= 33.53087552 a.u.
Potential Energy= -67.06808130 a.u.
Virial Ratio = -2.00018879