(1s 2 2s 2 3d 1 ) 2 D Si 9+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2232.
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 | 3.406248 | .95898031 |
| 2 | 3d | 5.556280 | .07030627 |
| 3 | 4d | 6.588538 | -.02161294 |
| 4 | 5d | 20.608999 | -.00039638 |
| 5 | 4d | 2.838287 | .00227447 |
| ORB.ENERGY,a.u. | -5.705200 | ||
| NORM | 1.000000 | < R > | 1.008498 | < R2 > | 1.168475 | < 1/R > | 1.165196 | < 1/R**2 > | 1.645478 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 12.075589 | .37648260 |
| 2 | 2s | 5.311971 | -.80896454 |
| 3 | 3s | 7.735388 | -.28416357 |
| 4 | 5s | 14.103489 | -.01552732 |
| 5 | 4s | 28.067113 | .00198525 |
| 6 | 5s | 6.128396 | .02341690 |
| 7 | 5s | 42.825146 | -.00025600 |
| ORB.ENERGY,a.u. | -16.182000 | ||
| NORM | 1.000000 | < R > | .484594 | < R2 > | .274606 | < 1/R > | 3.026502 | < 1/R**2 > | 36.938510 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 13.198121 | .93373933 |
| 2 | 1s | 21.069036 | .06522170 |
| 3 | 2s | 14.163854 | .01952833 |
| 4 | 3s | 15.725631 | -.01686530 |
| 5 | 5s | 31.175355 | .00104032 |
| 6 | 4s | 70.206795 | -.00007150 |
| ORB.ENERGY,a.u. | -83.241000 |
| NORM | 1.000000 | < R > | .110276 | < R2 > | .016280 | < 1/R > | 13.671099 | < 1/R**2 > | 376.205514 |
Total Energy= -229.53535268 a.u.
Kinetic Energy= 229.52666936 a.u.
Potential Energy= -459.06202204 a.u.
Virial Ratio = -2.00003783