(1s 2 2s 2 4d 1 ) 2 D Si 9+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2242.
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 | 4d- electron | |
| 1 | 3d | 2.575209 | 1.83597306 |
| 2 | 4d | 2.535991 | -2.41267188 |
| 3 | 3d | 6.837546 | .02922763 |
| 4 | 4d | 5.065103 | .03740895 |
| 5 | 5d | 21.613990 | -.00027522 |
| 6 | 5d | 1.625679 | -.00053499 |
| ORB.ENERGY,a.u. | -3.189400 | ||
| NORM | .999999 | < R > | 2.050020 | < R2 > | 4.810355 | < 1/R > | .645239 | < 1/R**2 > | .679853 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 12.043837 | .37927542 |
| 2 | 2s | 5.347013 | -.81126385 |
| 3 | 3s | 7.695459 | -.28614984 |
| 4 | 5s | 14.064553 | -.01463087 |
| 5 | 4s | 27.389189 | .00228244 |
| 6 | 5s | 6.100088 | .02639873 |
| 7 | 5s | 40.769971 | -.00029358 |
| ORB.ENERGY,a.u. | -16.687000 | ||
| NORM | 1.000000 | < R > | .482827 | < R2 > | .272369 | < 1/R > | 3.037177 | < 1/R**2 > | 37.176267 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 13.197350 | .93386096 |
| 2 | 1s | 21.081380 | .06514444 |
| 3 | 2s | 14.171312 | .01954001 |
| 4 | 3s | 15.697808 | -.01687607 |
| 5 | 5s | 31.094144 | .00097216 |
| 6 | 4s | 68.477337 | -.00007895 |
| ORB.ENERGY,a.u. | -83.771000 |
| NORM | 1.000000 | < R > | .110275 | < R2 > | .016279 | < 1/R > | 13.671112 | < 1/R**2 > | 376.205264 |
Total Energy= -227.01519667 a.u.
Kinetic Energy= 227.01087001 a.u.
Potential Energy= -454.02606669 a.u.
Virial Ratio = -2.00001906