(1s 2 2s 2 2p 1 5p 1 ) 3 P Si 8+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3151.
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 | 5p- electron | |
| 1 | 2p | 3.708388 | .36062232 |
| 2 | 3p | 2.158380 | -3.37851696 |
| 3 | 4p | 1.857434 | 8.92975255 |
| 4 | 5p | 1.873583 | -6.82675889 |
| 5 | 2p | 8.892561 | .02126558 |
| 6 | 5p | 2.683311 | .20371420 |
| 7 | 5p | 27.703048 | -.00041490 |
| 8 | 4p | 40.811830 | -.00009185 |
| ORB.ENERGY,a.u. | -1.735400 | ||
| NORM | 1.000002 | < R > | 3.781067 | < R2 > | 16.083477 | < 1/R > | .359432 | < 1/R**2 > | .330629 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 5.805177 | 1.17481791 |
| 2 | 3p | 1.350849 | -.57351440 |
| 3 | 3p | 7.938859 | -.17467214 |
| 4 | 4p | 2.166609 | .23339521 |
| 5 | 5p | 2.329092 | .23611255 |
| 6 | 5p | 12.261533 | .01254009 |
| 7 | 4p | 22.925456 | -.00249637 |
| 8 | 5p | 1.512346 | .12071842 |
| 9 | 3p | 27.340715 | -.00062398 |
| ORB.ENERGY,a.u. | -14.389000 | ||
| NORM | 1.000000 | < R > | .438411 | < R2 > | .280231 | < 1/R > | 2.957852 | < 1/R**2 > | 11.857080 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 12.153245 | .36486601 |
| 2 | 2s | 5.186895 | -.80621879 |
| 3 | 3s | 7.627574 | -.28124038 |
| 4 | 4s | 26.236991 | .00144772 |
| 5 | 5s | 14.797066 | -.01142159 |
| 6 | 5s | 5.785561 | .01986281 |
| ORB.ENERGY,a.u. | -14.065000 | ||
| NORM | 1.000000 | < R > | .494284 | < R2 > | .285977 | < 1/R > | 2.961646 | < 1/R**2 > | 35.494020 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 13.163725 | .92606529 |
| 2 | 1s | 20.287966 | .07412545 |
| 3 | 2s | 12.004899 | .01888651 |
| 4 | 3s | 14.868831 | -.01668606 |
| 5 | 4s | 71.471832 | -.00005894 |
| 6 | 5s | 32.407719 | .00090066 |
| 7 | 5s | 7.924152 | .00005228 |
| ORB.ENERGY,a.u. | -79.321000 |
| NORM | 1.000000 | < R > | .110555 | < R2 > | .016379 | < 1/R > | 13.648576 | < 1/R**2 > | 375.238152 |
Total Energy= -240.29129455 a.u.
Kinetic Energy= 240.29201033 a.u.
Potential Energy= -480.58330487 a.u.
Virial Ratio = -1.99999702