(1s 2 2s 2 2p 2 ) 1 S Si 8+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1021.
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 | 2p- electron | |
| 1 | 2p | 5.455940 | 1.11878453 |
| 2 | 3p | 7.265318 | -.14959637 |
| 3 | 2p | 11.614505 | .02496075 |
| 4 | 5p | 14.565205 | .00402193 |
| 5 | 4p | 28.329127 | -.00083119 |
| 6 | 5p | 5.475341 | .01942817 |
| 7 | 5p | 86.183483 | -.00002076 |
| 8 | 4p | 4.534449 | -.00460996 |
| ORB.ENERGY,a.u. | -12.335000 | ||
| NORM | 1.000000 | < R > | .452504 | < R2 > | .249805 | < 1/R > | 2.819970 | < 1/R**2 > | 10.879619 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 11.987307 | .36323753 |
| 2 | 2s | 5.266182 | -.82591659 |
| 3 | 3s | 6.842531 | -.28140121 |
| 4 | 4s | 26.380461 | .00114372 |
| 5 | 5s | 15.198437 | -.01007781 |
| 6 | 5s | 8.559119 | .03241037 |
| ORB.ENERGY,a.u. | -14.065000 | ||
| NORM | 1.000000 | < R > | .506062 | < R2 > | .300433 | < 1/R > | 2.888395 | < 1/R**2 > | 33.888998 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 13.189395 | .93617553 |
| 2 | 1s | 20.744657 | .06458824 |
| 3 | 2s | 11.781730 | .01694973 |
| 4 | 3s | 15.675664 | -.01477251 |
| 5 | 4s | 73.737048 | -.00005350 |
| 6 | 5s | 32.169420 | .00099790 |
| 7 | 5s | 9.505813 | .00032719 |
| ORB.ENERGY,a.u. | -79.321000 |
| NORM | 1.000000 | < R > | .110776 | < R2 > | .016459 | < 1/R > | 13.631212 | < 1/R**2 > | 374.498348 |
Total Energy= -251.45731513 a.u.
Kinetic Energy= 250.88513034 a.u.
Potential Energy= -502.34244547 a.u.
Virial Ratio = -2.00228066