(1s 1 2s 1 ) 1 S Si 12+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1020.
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 | 4.677035 | .60604333 |
| 2 | 2s | 5.978414 | -1.13226794 |
| 3 | 3s | 8.552068 | -.46118906 |
| 4 | 4s | 10.104735 | .04438581 |
| 5 | 5s | 4.754615 | -.00150756 |
| 6 | 3s | 42.848895 | -.00007040 |
| 7 | 5s | 17.994362 | -.00646818 |
| ORB.ENERGY,a.u. | -22.163000 | ||
| NORM | 1.000000 | < R > | .448592 | < R2 > | .229972 | < 1/R > | 2.636669 | < 1/R**2 > | 11.612661 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 14.244413 | 1.02008168 |
| 2 | 2s | 15.868233 | .02311824 |
| 3 | 3s | 7.929007 | -.22127600 |
| 4 | 4s | 29.156444 | .00072818 |
| 5 | 5s | 10.723369 | .02268568 |
| 6 | 4s | 6.528793 | -.00927842 |
| 7 | 3s | 45.737522 | .00005534 |
| ORB.ENERGY,a.u. | -95.663000 |
| NORM | 1.000000 | < R > | .105685 | < R2 > | .018242 | < 1/R > | 14.669424 | < 1/R**2 > | 424.011122 |
Total Energy= -119.89524044 a.u.
Kinetic Energy= 119.83947589 a.u.
Potential Energy= -239.73471633 a.u.
Virial Ratio = -2.00046533