(1s 2 4d 1 ) 2 D Si 11+
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 | 3.147700 | 1.79555242 |
| 2 | 4d | 2.990066 | -2.30043061 |
| 3 | 3d | 16.991380 | .00032678 |
| 4 | 4d | 10.780756 | .00036713 |
| 5 | 5d | 2.707272 | .00267647 |
| ORB.ENERGY,a.u. | -4.503600 | ||
| NORM | 1.000000 | < R > | 1.749049 | < R2 > | 3.496540 | < 1/R > | .750726 | < 1/R**2 > | .902740 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 13.417830 | .93604129 |
| 2 | 1s | 21.376558 | .05194879 |
| 3 | 2s | 16.604077 | .01709239 |
| 4 | 3s | 12.179607 | .00058102 |
| 5 | 4s | 46.602077 | -.00076373 |
| 6 | 5s | 57.173915 | .00025664 |
| 7 | 3s | 79.525402 | -.00003386 |
| ORB.ENERGY,a.u. | -88.768000 |
| NORM | 1.000000 | < R > | .110102 | < R2 > | .016220 | < 1/R > | 13.687240 | < 1/R**2 > | 376.961278 |
Total Energy= -191.86787792 a.u.
Kinetic Energy= 191.86281895 a.u.
Potential Energy= -383.73069687 a.u.
Virial Ratio = -2.00002637