(1s 1 2p 1 ) 1 P Si 12+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1121.
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 | 6.368076 | .93861044 |
| 2 | 2p | 7.277389 | .05899419 |
| 3 | 2p | 23.950516 | .00150898 |
| 4 | 3p | 9.620310 | .00957677 |
| 5 | 4p | 6.570442 | -.00929278 |
| 6 | 5p | 37.139060 | -.00016552 |
| ORB.ENERGY,a.u. | -21.291000 | ||
| NORM | 1.000000 | < R > | .386955 | < R2 > | .179601 | < 1/R > | 3.229492 | < 1/R**2 > | 13.913044 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 13.767758 | .88958184 |
| 2 | 1s | 16.264862 | .10638086 |
| 3 | 2s | 16.215608 | .00857844 |
| 4 | 3s | 9.809049 | -.01475909 |
| 5 | 4s | 10.815897 | .00877839 |
| 6 | 5s | 16.678886 | .00206197 |
| ORB.ENERGY,a.u. | -94.791000 |
| NORM | 1.000000 | < R > | .107031 | < R2 > | .015269 | < 1/R > | 14.010644 | < 1/R**2 > | 392.493634 |
Total Energy= -119.29561139 a.u.
Kinetic Energy= 119.00847360 a.u.
Potential Energy= -238.30408498 a.u.
Virial Ratio = -2.00241275