(1s 1 3s 1 ) 3 S Si 12+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3030.
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 | 3s- electron | |
| 1 | 1s | 8.450334 | .38036934 |
| 2 | 2s | 4.564549 | -2.01804270 |
| 3 | 3s | 4.360613 | 2.48093017 |
| 4 | 4s | 7.057828 | -.12063158 |
| 5 | 5s | 12.333676 | -.01172746 |
| 6 | 4s | 47.303202 | -.00003668 |
| 7 | 5s | 2.812602 | -.00023012 |
| ORB.ENERGY,a.u. | -9.888300 | ||
| NORM | 1.000000 | < R > | 1.015565 | < R2 > | 1.171066 | < 1/R > | 1.460413 | < 1/R**2 > | 12.669516 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 13.757297 | .88933345 |
| 2 | 1s | 16.406317 | .10549331 |
| 3 | 2s | 15.542288 | .01064950 |
| 4 | 3s | 14.888629 | -.00517759 |
| 5 | 4s | 51.145174 | .00001316 |
| 6 | 5s | 19.445161 | .00013289 |
| ORB.ENERGY,a.u. | -96.999000 |
| NORM | 1.000000 | < R > | .107137 | < R2 > | .015306 | < 1/R > | 14.001404 | < 1/R**2 > | 392.080425 |
Total Energy= -107.57294115 a.u.
Kinetic Energy= 107.60878136 a.u.
Potential Energy= -215.18172251 a.u.
Virial Ratio = -1.99966694