(1s 1 2p 1 ) 3 P Si 12+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3121.
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 | 2p- electron | |
| 1 | 2p | 6.585274 | .98416168 |
| 2 | 2p | 13.231541 | .01293008 |
| 3 | 3p | 6.416795 | .01018947 |
| 4 | 4p | 7.869990 | -.00304401 |
| 5 | 5p | 26.283254 | -.00050142 |
| ORB.ENERGY,a.u. | -21.693000 | ||
| NORM | 1.000000 | < R > | .378244 | < R2 > | .172061 | < 1/R > | 3.315547 | < 1/R**2 > | 14.729159 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 13.719323 | .92585694 |
| 2 | 1s | 17.717112 | .06962309 |
| 3 | 2s | 15.572579 | .01103098 |
| 4 | 3s | 17.488492 | -.00488594 |
| 5 | 4s | 20.072061 | -.00046171 |
| 6 | 5s | 12.012946 | .00057585 |
| ORB.ENERGY,a.u. | -95.193000 |
| NORM | 1.000000 | < R > | .107613 | < R2 > | .015466 | < 1/R > | 13.958605 | < 1/R**2 > | 390.158263 |
Total Energy= -119.30444577 a.u.
Kinetic Energy= 119.40929749 a.u.
Potential Energy= -238.71374326 a.u.
Virial Ratio = -1.99912191