(1s 1 3p 1 ) 3 P Si 12+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3131.
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 | 3p- electron | |
| 1 | 2p | 5.815575 | .83717171 |
| 2 | 3p | 4.173560 | -1.56350419 |
| 3 | 2p | 2.351832 | .08808034 |
| 4 | 4p | 7.195337 | .11621142 |
| 5 | 5p | 14.095633 | .00562321 |
| 6 | 5p | 2.953759 | -.01517689 |
| 7 | 3p | 54.666986 | .00000666 |
| ORB.ENERGY,a.u. | -9.737200 | ||
| NORM | 1.000000 | < R > | .952802 | < R2 > | 1.046123 | < 1/R > | 1.461029 | < 1/R**2 > | 4.309287 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 13.746717 | .88979090 |
| 2 | 1s | 16.307026 | .10625592 |
| 3 | 2s | 17.455144 | .00634705 |
| 4 | 3s | 8.668650 | -.00703890 |
| 5 | 4s | 12.795329 | .00239849 |
| 6 | 5s | 10.914948 | .00329262 |
| ORB.ENERGY,a.u. | -96.848000 |
| NORM | 1.000000 | < R > | .107244 | < R2 > | .015338 | < 1/R > | 13.990210 | < 1/R**2 > | 391.552778 |
Total Energy= -107.44156860 a.u.
Kinetic Energy= 107.46955351 a.u.
Potential Energy= -214.91112211 a.u.
Virial Ratio = -1.99973960