(1s 1 2s 1 ) 3 S Si 12+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3020.
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 | 2s- electron | |
| 1 | 1s | 10.834263 | .48503336 |
| 2 | 2s | 6.490217 | -.88367429 |
| 3 | 3s | 7.787745 | -.29600846 |
| 4 | 4s | 17.600082 | .00368034 |
| 5 | 5s | 7.652945 | -.01110193 |
| ORB.ENERGY,a.u. | -22.240000 | ||
| NORM | 1.000000 | < R > | .446372 | < R2 > | .232175 | < 1/R > | 3.304965 | < 1/R**2 > | 43.380457 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 13.763507 | .88926491 |
| 2 | 1s | 16.404916 | .10546201 |
| 3 | 2s | 15.878359 | .01063603 |
| 4 | 3s | 15.891971 | -.00490723 |
| 5 | 4s | 38.140006 | .00012533 |
| 6 | 5s | 9.657319 | -.00001737 |
| ORB.ENERGY,a.u. | -95.740000 |
| NORM | 1.000000 | < R > | .107097 | < R2 > | .015296 | < 1/R > | 14.007065 | < 1/R**2 > | 392.371582 |
Total Energy= -119.77785858 a.u.
Kinetic Energy= 119.91478181 a.u.
Potential Energy= -239.69264040 a.u.
Virial Ratio = -1.99885816