(1s 2 2s 2 4s 1 ) 2 S Si 9+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2040.
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 | 4s- electron | |
| 1 | 1s | 10.728242 | .13800964 |
| 2 | 2s | 3.012508 | -1.74571095 |
| 3 | 3s | 2.856073 | 4.21937921 |
| 4 | 4s | 2.642349 | -3.26238759 |
| 5 | 5s | 5.189917 | .11222818 |
| 6 | 4s | 10.163394 | -.02746825 |
| 7 | 5s | 29.747104 | .00061865 |
| 8 | 4s | 40.647058 | .00007670 |
| ORB.ENERGY,a.u. | -3.463300 | ||
| NORM | .999999 | < R > | 2.176181 | < R2 > | 5.319408 | < 1/R > | .667445 | < 1/R**2 > | 3.535215 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 12.008182 | .38142733 |
| 2 | 2s | 5.383230 | -.81195769 |
| 3 | 3s | 7.728826 | -.28758598 |
| 4 | 5s | 13.497448 | -.01131970 |
| 5 | 4s | 25.959149 | .00390568 |
| 6 | 5s | 6.069696 | .02169484 |
| 7 | 5s | 36.563931 | -.00070256 |
| 8 | 4s | 2.045899 | .00030872 |
| ORB.ENERGY,a.u. | -16.743000 | ||
| NORM | 1.000000 | < R > | .482375 | < R2 > | .271845 | < 1/R > | 3.040604 | < 1/R**2 > | 37.260132 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 13.195687 | .93394285 |
| 2 | 1s | 21.083341 | .06515095 |
| 3 | 2s | 14.167639 | .01953203 |
| 4 | 3s | 15.977142 | -.01670671 |
| 5 | 5s | 32.109051 | .00110638 |
| 6 | 4s | 74.703595 | -.00005314 |
| 7 | 5s | 16.109037 | -.00045875 |
| ORB.ENERGY,a.u. | -83.806000 |
| NORM | 1.000000 | < R > | .110283 | < R2 > | .016282 | < 1/R > | 13.670374 | < 1/R**2 > | 376.170357 |
Total Energy= -227.27973172 a.u.
Kinetic Energy= 227.27970474 a.u.
Potential Energy= -454.55943646 a.u.
Virial Ratio = -2.00000012