(1s 1 3p 1 ) 1 P Si 12+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1131.
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 | 5.469367 | .91159406 |
| 2 | 3p | 4.177767 | -1.63389726 |
| 3 | 2p | 2.838611 | .07978477 |
| 4 | 4p | 7.130122 | .09978650 |
| 5 | 5p | 13.754094 | .00768250 |
| 6 | 4p | 32.475187 | -.00145314 |
| 7 | 5p | 42.517165 | .00043605 |
| 8 | 5p | 2.814168 | -.00200211 |
| 9 | 3p | 9.764085 | .00538496 |
| 10 | 3p | 67.766296 | -.00002111 |
| ORB.ENERGY,a.u. | -9.627500 | ||
| NORM | 1.000000 | < R > | .964344 | < R2 > | 1.071507 | < 1/R > | 1.441204 | < 1/R**2 > | 4.157279 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 13.756961 | .88932748 |
| 2 | 1s | 16.404915 | .10550415 |
| 3 | 2s | 15.502761 | .01068449 |
| 4 | 3s | 14.904008 | -.00512571 |
| 5 | 4s | 45.399868 | .00000727 |
| 6 | 5s | 7.115048 | .00018413 |
| ORB.ENERGY,a.u. | -96.739000 |
| NORM | 1.000000 | < R > | .107141 | < R2 > | .015307 | < 1/R > | 14.000964 | < 1/R**2 > | 392.056650 |
Total Energy= -107.44022924 a.u.
Kinetic Energy= 107.36031839 a.u.
Potential Energy= -214.80054763 a.u.
Virial Ratio = -2.00074432