(1s 2 3d 1 ) 2 D Si 11+
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 | 4.001580 | .99961047 |
| 2 | 3d | 10.809868 | .00201613 |
| 3 | 4d | 13.785359 | -.00119090 |
| ORB.ENERGY,a.u. | -8.006200 | ||
| NORM | 1.000000 | < R > | .874364 | < R2 > | .873854 | < 1/R > | 1.334674 | < 1/R**2 > | 2.138845 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 13.417666 | .93604140 |
| 2 | 1s | 21.376558 | .05195070 |
| 3 | 2s | 16.600027 | .01709177 |
| 4 | 3s | 11.738904 | .00060046 |
| 5 | 4s | 46.739149 | -.00076146 |
| 6 | 5s | 57.336130 | .00025651 |
| 7 | 3s | 80.393391 | -.00003263 |
| ORB.ENERGY,a.u. | -88.160000 |
| NORM | 1.000000 | < R > | .110105 | < R2 > | .016221 | < 1/R > | 13.687018 | < 1/R**2 > | 376.952472 |
Total Energy= -195.37435250 a.u.
Kinetic Energy= 195.36420950 a.u.
Potential Energy= -390.73856201 a.u.
Virial Ratio = -2.00005192