(1s 1 3s 1 ) 1 S Si 12+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1030.
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 | 3s- electron | |
| 1 | 1s | 4.640936 | .48501315 |
| 2 | 2s | 5.659210 | -1.02782032 |
| 3 | 3s | 4.267320 | 1.90620345 |
| 4 | 4s | 9.181724 | -.46144588 |
| 5 | 5s | 7.341347 | -.35473185 |
| 6 | 5s | 17.290229 | -.00926677 |
| 7 | 3s | 11.705620 | -.11824423 |
| 8 | 4s | 2.619174 | -.00098172 |
| 9 | 4s | 67.309604 | -.00002323 |
| 10 | 2s | 44.325955 | -.00002815 |
| ORB.ENERGY,a.u. | -9.839800 | ||
| NORM | 1.000000 | < R > | 1.016767 | < R2 > | 1.174236 | < 1/R > | 1.302054 | < 1/R**2 > | 4.973232 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 14.071454 | 1.00392735 |
| 2 | 2s | 3.735809 | .24194999 |
| 3 | 3s | 6.779435 | -.34308618 |
| 4 | 4s | 9.886994 | .06896861 |
| 5 | 5s | 8.753084 | .06199905 |
| 6 | 4s | 2.335218 | -.00311941 |
| 7 | 5s | 23.898079 | -.00015989 |
| 8 | 3s | 1.874334 | .00264450 |
| ORB.ENERGY,a.u. | -96.951000 |
| NORM | 1.000000 | < R > | .110264 | < R2 > | .021964 | < 1/R > | 14.155823 | < 1/R**2 > | 399.768764 |
Total Energy= -107.59621576 a.u.
Kinetic Energy= 107.56121144 a.u.
Potential Energy= -215.15742720 a.u.
Virial Ratio = -2.00032544