(1s 2 2s 2 2p 1 3d 1 ) 3 P Si 8+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3132.
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 | 3d- electron | |
| 1 | 3d | 3.158318 | .92731370 |
| 2 | 3d | 6.397125 | .04149838 |
| 3 | 4d | 2.676702 | .06193272 |
| 4 | 5d | 20.083147 | -.00023501 |
| 5 | 5d | 2.417653 | -.01439887 |
| 6 | 4d | 46.026177 | .00000751 |
| 7 | 4d | 1.755087 | .00304926 |
| ORB.ENERGY,a.u. | -4.632900 | ||
| NORM | 1.000000 | < R > | 1.108590 | < R2 > | 1.415692 | < 1/R > | 1.064220 | < 1/R**2 > | 1.380733 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 5.663511 | 1.08698489 |
| 2 | 3p | 7.016129 | -.10724728 |
| 3 | 2p | 13.635346 | .01569573 |
| 4 | 5p | 15.931670 | .00325704 |
| 5 | 4p | 29.448299 | -.00036349 |
| 6 | 5p | 5.655351 | .01245817 |
| 7 | 5p | 94.517999 | -.00000515 |
| 8 | 4p | 5.245870 | -.00221866 |
| ORB.ENERGY,a.u. | -13.674000 | ||
| NORM | 1.000000 | < R > | .433652 | < R2 > | .228269 | < 1/R > | 2.922961 | < 1/R**2 > | 11.594665 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 12.172493 | .36267395 |
| 2 | 2s | 5.165471 | -.80342795 |
| 3 | 3s | 7.655463 | -.27989288 |
| 4 | 4s | 26.303248 | .00134432 |
| 5 | 5s | 14.897571 | -.01172001 |
| 6 | 5s | 5.817663 | .01505938 |
| ORB.ENERGY,a.u. | -14.065000 | ||
| NORM | 1.000000 | < R > | .496231 | < R2 > | .288530 | < 1/R > | 2.950617 | < 1/R**2 > | 35.252752 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 13.165536 | .92626652 |
| 2 | 1s | 20.280974 | .07399572 |
| 3 | 2s | 11.984291 | .01870106 |
| 4 | 3s | 14.848984 | -.01661985 |
| 5 | 4s | 71.965461 | -.00005726 |
| 6 | 5s | 32.433624 | .00091726 |
| 7 | 5s | 8.198591 | .00008390 |
| ORB.ENERGY,a.u. | -79.321000 |
| NORM | 1.000000 | < R > | .110545 | < R2 > | .016376 | < 1/R > | 13.649527 | < 1/R**2 > | 375.280749 |
Total Energy= -243.22483280 a.u.
Kinetic Energy= 243.19027632 a.u.
Potential Energy= -486.41510912 a.u.
Virial Ratio = -2.00014210