(1s 2 3s 1 ) 2 S Si 11+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2030.
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 | 9.926513 | .27967185 |
| 2 | 2s | 4.524184 | -1.42204215 |
| 3 | 3s | 4.008366 | 2.04531469 |
| 4 | 4s | 7.133170 | -.20109284 |
| 5 | 5s | 12.515892 | -.02817000 |
| 6 | 5s | 3.048183 | -.00747489 |
| 7 | 4s | 28.503263 | .00229302 |
| 8 | 5s | 39.501666 | -.00059909 |
| 9 | 4s | 2.382269 | .00374170 |
| 10 | 2s | 19.453482 | .00009928 |
| 11 | 3s | 77.716139 | .00001119 |
| ORB.ENERGY,a.u. | -8.348300 | ||
| NORM | 1.000000 | < R > | 1.081641 | < R2 > | 1.328607 | < 1/R > | 1.367937 | < 1/R**2 > | 11.278277 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 13.413135 | .93519810 |
| 2 | 1s | 21.123467 | .05345827 |
| 3 | 2s | 16.096048 | .01666044 |
| 4 | 3s | 13.980376 | .00110197 |
| 5 | 4s | 20.614115 | -.00124878 |
| 6 | 5s | 29.116025 | .00039197 |
| 7 | 3s | 36.382618 | -.00052757 |
| 8 | 5s | 4.447073 | -.00007016 |
| ORB.ENERGY,a.u. | -88.266000 |
| NORM | 1.000000 | < R > | .110130 | < R2 > | .016229 | < 1/R > | 13.684650 | < 1/R**2 > | 376.840834 |
Total Energy= -195.69096477 a.u.
Kinetic Energy= 195.69096425 a.u.
Potential Energy= -391.38192902 a.u.
Virial Ratio = -2.00000000