(1s 2 2s 2 2p 4 5d 1 ) 4 F Si 5+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4352.
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 | 5d- electron | |
| 1 | 3d | 1.715716 | 1.07728526 |
| 2 | 4d | 1.229305 | -4.66805092 |
| 3 | 5d | 1.215745 | 4.35862308 |
| 4 | 3d | 4.173684 | .06822942 |
| 5 | 5d | 6.265664 | -.01619788 |
| 6 | 4d | 13.318692 | .00067843 |
| 7 | 5d | .996978 | -.03664166 |
| 8 | 3d | 19.085501 | .00011583 |
| ORB.ENERGY,a.u. | -.747360 | ||
| NORM | .999998 | < R > | 5.506756 | < R2 > | 34.501590 | < 1/R > | .257218 | < 1/R**2 > | .144627 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 4.664007 | 1.20086738 |
| 2 | 3p | 5.476244 | -.27071845 |
| 3 | 2p | 10.797187 | .06642844 |
| 4 | 4p | 12.574699 | .01323574 |
| 5 | 5p | .741146 | .00002919 |
| 6 | 5p | 32.521211 | -.00015334 |
| ORB.ENERGY,a.u. | -8.717700 | ||
| NORM | 1.000000 | < R > | .484367 | < R2 > | .288618 | < 1/R > | 2.659791 | < 1/R**2 > | 9.783845 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 11.298265 | .37581067 |
| 2 | 2s | 5.749345 | -.84253318 |
| 3 | 3s | 5.160145 | -.29704329 |
| 4 | 4s | 16.203307 | .00813371 |
| 5 | 3s | 18.082276 | .00594010 |
| 6 | 5s | 29.708142 | .00062855 |
| 7 | 5s | 4.406449 | -.00299690 |
| 8 | 4s | 3.304812 | .00106802 |
| 9 | 3s | 45.747908 | -.00005749 |
| ORB.ENERGY,a.u. | -9.180700 | ||
| NORM | 1.000000 | < R > | .533123 | < R2 > | .335394 | < 1/R > | 2.735291 | < 1/R**2 > | 30.630310 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 13.204993 | .91771505 |
| 2 | 1s | 19.461122 | .07932419 |
| 3 | 2s | 8.039142 | .01968780 |
| 4 | 3s | 9.926606 | -.01993035 |
| 5 | 4s | 12.307193 | .00936982 |
| 6 | 5s | 33.643041 | .00093657 |
| 7 | 4s | 80.921623 | -.00003542 |
| ORB.ENERGY,a.u. | -72.079000 |
| NORM | 1.000000 | < R > | .111165 | < R2 > | .016601 | < 1/R > | 13.601175 | < 1/R**2 > | 373.225634 |
Total Energy= -272.36222760 a.u.
Kinetic Energy= 272.36356286 a.u.
Potential Energy= -544.72579046 a.u.
Virial Ratio = -1.99999510