(1s 2 2s 2 2p 1 4p 1 ) 1 D Si 8+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1241.
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 | 4p- electron | |
| 1 | 2p | 5.711033 | .22786632 |
| 2 | 3p | 2.692915 | -.94878911 |
| 3 | 5p | 2.588580 | 1.37747621 |
| 4 | 4p | 3.832751 | -.26530121 |
| 5 | 5p | 7.166951 | .05145201 |
| 6 | 4p | 15.457960 | -.00410834 |
| 7 | 5p | 2.223980 | .17241128 |
| 8 | 5p | 35.357471 | -.00051526 |
| 9 | 4p | 54.125525 | -.00009897 |
| ORB.ENERGY,a.u. | -2.746500 | ||
| NORM | 1.000000 | < R > | 2.349464 | < R2 > | 6.226313 | < 1/R > | .546753 | < 1/R**2 > | .576905 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 5.678657 | 1.03767487 |
| 2 | 3p | 2.900905 | -.12457512 |
| 3 | 2p | 12.818897 | .02945493 |
| 4 | 5p | 10.142715 | -.02133600 |
| 5 | 5p | 2.540585 | .15246408 |
| 6 | 4p | 27.246398 | -.00057478 |
| 7 | 3p | 1.524812 | .00543013 |
| 8 | 3p | 48.394896 | -.00001368 |
| ORB.ENERGY,a.u. | -14.182000 | ||
| NORM | 1.000000 | < R > | .437534 | < R2 > | .277268 | < 1/R > | 2.992907 | < 1/R**2 > | 12.127012 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 12.146605 | .36481855 |
| 2 | 2s | 5.194490 | -.80503046 |
| 3 | 3s | 7.622943 | -.28147926 |
| 4 | 4s | 25.971764 | .00159205 |
| 5 | 5s | 14.745481 | -.01077428 |
| 6 | 5s | 5.758600 | .01717074 |
| 7 | 4s | 2.476830 | .00029168 |
| ORB.ENERGY,a.u. | -14.065000 | ||
| NORM | 1.000000 | < R > | .494738 | < R2 > | .286538 | < 1/R > | 2.958843 | < 1/R**2 > | 35.432245 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 13.161814 | .92579648 |
| 2 | 1s | 20.250286 | .07454751 |
| 3 | 2s | 11.817358 | .01892950 |
| 4 | 3s | 14.737166 | -.01684018 |
| 5 | 4s | 71.047378 | -.00006299 |
| 6 | 5s | 32.175290 | .00087106 |
| ORB.ENERGY,a.u. | -79.321000 |
| NORM | 1.000000 | < R > | .110565 | < R2 > | .016382 | < 1/R > | 13.647738 | < 1/R**2 > | 375.201665 |
Total Energy= -241.32092172 a.u.
Kinetic Energy= 241.30236866 a.u.
Potential Energy= -482.62329038 a.u.
Virial Ratio = -2.00007689