(1s 1 3d 1 ) 3 D Si 12+
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 | 4.335874 | 1.00216844 |
| 2 | 3d | 16.059347 | .00036838 |
| 3 | 4d | 5.684578 | -.00226920 |
| ORB.ENERGY,a.u. | -9.652100 | ||
| NORM | 1.000000 | < R > | .807175 | < R2 > | .744703 | < 1/R > | 1.445708 | < 1/R**2 > | 2.509226 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 13.754946 | .88934410 |
| 2 | 1s | 16.405516 | .10551643 |
| 3 | 2s | 15.420516 | .01066817 |
| 4 | 3s | 14.813514 | -.00515051 |
| 5 | 4s | 27.202076 | .00001901 |
| 6 | 5s | 9.850826 | .00004691 |
| ORB.ENERGY,a.u. | -96.763000 |
| NORM | 1.000000 | < R > | .107156 | < R2 > | .015311 | < 1/R > | 13.999059 | < 1/R**2 > | 391.961088 |
Total Energy= -107.41297095 a.u.
Kinetic Energy= 107.39216063 a.u.
Potential Energy= -214.80513159 a.u.
Virial Ratio = -2.00019378