(1s 1 3d 1 ) 3 D S 14+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3232.
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 | 5.002608 | 1.00192332 |
| 2 | 3d | 18.384431 | .00033040 |
| 3 | 4d | 6.547217 | -.00201474 |
| ORB.ENERGY,a.u. | -12.948000 | ||
| NORM | 1.000000 | < R > | .699597 | < R2 > | .559420 | < 1/R > | 1.667975 | < 1/R**2 > | 3.339919 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 15.764618 | .88940983 |
| 2 | 1s | 18.406670 | .10543221 |
| 3 | 2s | 16.628855 | .01065825 |
| 4 | 3s | 16.914286 | -.00512402 |
| 5 | 4s | 32.790704 | .00001658 |
| 6 | 5s | 11.689032 | .00004791 |
| ORB.ENERGY,a.u. | -126.730000 |
| NORM | 1.000000 | < R > | .093760 | < R2 > | .011722 | < 1/R > | 15.999017 | < 1/R**2 > | 511.953549 |
Total Energy= -140.52834309 a.u.
Kinetic Energy= 140.50392293 a.u.
Potential Energy= -281.03226603 a.u.
Virial Ratio = -2.00017380