(1s 2 2s 2 2p 1 4s 1 ) 3 P Si 8+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3140.
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 | 4s- electron | |
| 1 | 1s | 11.146550 | .12121156 |
| 2 | 2s | 2.822422 | -1.67432971 |
| 3 | 3s | 2.903596 | 3.39362359 |
| 4 | 4s | 2.385599 | -2.32258566 |
| 5 | 5s | 9.457653 | -.03216951 |
| 6 | 4s | 12.546362 | -.02629880 |
| 7 | 5s | 19.536671 | .00179150 |
| 8 | 5s | 1.958913 | .00880537 |
| 9 | 4s | 50.771293 | -.00006434 |
| ORB.ENERGY,a.u. | -2.916100 | ||
| NORM | 1.000000 | < R > | 2.327842 | < R2 > | 6.086297 | < 1/R > | .620984 | < 1/R**2 > | 3.084403 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 5.652440 | 1.10447361 |
| 2 | 3p | 7.172554 | -.13356236 |
| 3 | 2p | 13.234125 | .01584456 |
| 4 | 5p | 11.726422 | .01224737 |
| 5 | 4p | 40.106826 | -.00005201 |
| 6 | 5p | 17.804129 | .00492746 |
| 7 | 5p | 4.532100 | .00273990 |
| 8 | 4p | 3.310366 | -.00175650 |
| ORB.ENERGY,a.u. | -14.199000 | ||
| NORM | 1.000000 | < R > | .431664 | < R2 > | .225749 | < 1/R > | 2.931579 | < 1/R**2 > | 11.647421 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 12.008903 | .37139403 |
| 2 | 2s | 5.373667 | -.79547147 |
| 3 | 3s | 7.327078 | -.28242489 |
| 4 | 4s | 26.850982 | .00133989 |
| 5 | 5s | 14.641737 | -.01392475 |
| 6 | 5s | 2.470635 | .00228770 |
| ORB.ENERGY,a.u. | -14.065000 | ||
| NORM | 1.000000 | < R > | .494460 | < R2 > | .286218 | < 1/R > | 2.960913 | < 1/R**2 > | 35.481054 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 13.168180 | .92755465 |
| 2 | 1s | 20.361305 | .07271722 |
| 3 | 2s | 12.194637 | .01831442 |
| 4 | 3s | 15.082672 | -.01630631 |
| 5 | 4s | 75.308362 | -.00004888 |
| 6 | 5s | 32.519751 | .00101447 |
| 7 | 5s | 6.113873 | .00017465 |
| 8 | 3s | 1.467957 | -.00015651 |
| ORB.ENERGY,a.u. | -79.321000 |
| NORM | 1.000000 | < R > | .110550 | < R2 > | .016377 | < 1/R > | 13.648973 | < 1/R**2 > | 375.253465 |
Total Energy= -241.46396073 a.u.
Kinetic Energy= 241.46908905 a.u.
Potential Energy= -482.93304978 a.u.
Virial Ratio = -1.99997876