(1s 2 5s 1 ) 2 S Si 11+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2050.
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 | 5s- electron | |
| 1 | 1s | 5.548153 | .23651066 |
| 2 | 2s | 2.409437 | -4.75242296 |
| 3 | 3s | 2.491496 | 14.94159314 |
| 4 | 4s | 2.572985 | -16.09943458 |
| 5 | 5s | 2.408630 | 6.17566638 |
| 6 | 5s | 13.411597 | -.00336789 |
| 7 | 1s | 15.516510 | .01513671 |
| 8 | 4s | 59.744536 | -.00002683 |
| 9 | 5s | .963448 | -.00015698 |
| ORB.ENERGY,a.u. | -2.953500 | ||
| NORM | .999998 | < R > | 3.052413 | < R2 > | 10.435048 | < 1/R > | .487277 | < 1/R**2 > | 2.379899 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 13.417502 | .93604259 |
| 2 | 1s | 21.376558 | .05195065 |
| 3 | 2s | 16.597189 | .01709178 |
| 4 | 3s | 12.454215 | .00058004 |
| 5 | 4s | 45.251661 | -.00076497 |
| 6 | 5s | 54.287346 | .00025840 |
| 7 | 3s | 74.570351 | -.00004296 |
| ORB.ENERGY,a.u. | -89.072000 |
| NORM | 1.000000 | < R > | .110104 | < R2 > | .016221 | < 1/R > | 13.686910 | < 1/R**2 > | 376.944657 |
Total Energy= -190.31015161 a.u.
Kinetic Energy= 190.31010510 a.u.
Potential Energy= -380.62025672 a.u.
Virial Ratio = -2.00000024