(1s 2 2s 1 ) 2 S Si 11+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2020.
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 | 2s- electron | |
| 1 | 1s | 12.017596 | .39287193 |
| 2 | 2s | 5.872499 | -.67214253 |
| 3 | 3s | 7.380051 | -.41256813 |
| 4 | 5s | 13.749586 | -.01960800 |
| 5 | 4s | 27.544727 | .00165831 |
| 6 | 5s | 3.660986 | .00013753 |
| 7 | 5s | 42.477258 | -.00016595 |
| ORB.ENERGY,a.u. | -19.231000 | ||
| NORM | 1.000000 | < R > | .471178 | < R2 > | .258886 | < 1/R > | 3.126386 | < 1/R**2 > | 39.398120 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 13.401134 | .93745315 |
| 2 | 1s | 21.349347 | .05177198 |
| 3 | 2s | 16.122306 | .01654757 |
| 4 | 3s | 8.451419 | .00114782 |
| 5 | 4s | 23.319419 | -.00136353 |
| 6 | 5s | 32.083961 | .00047963 |
| 7 | 3s | 36.770855 | -.00053108 |
| ORB.ENERGY,a.u. | -86.798000 |
| NORM | 1.000000 | < R > | .110244 | < R2 > | .016272 | < 1/R > | 13.675282 | < 1/R**2 > | 376.421551 |
Total Energy= -206.53846427 a.u.
Kinetic Energy= 206.53846862 a.u.
Potential Energy= -413.07693289 a.u.
Virial Ratio = -1.99999998