(1s 2 2s 2 2p 1 4d 1 ) 1 F Si 8+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1342.
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 | 2.484660 | 1.52007004 |
| 2 | 4d | 2.237747 | -2.01581123 |
| 3 | 3d | 6.492659 | .02048660 |
| 4 | 5d | 8.857970 | -.00463344 |
| 5 | 4d | 35.599701 | .00003819 |
| 6 | 5d | 1.744794 | .00202096 |
| ORB.ENERGY,a.u. | -2.549000 | ||
| NORM | 1.000000 | < R > | 2.307266 | < R2 > | 6.100439 | < 1/R > | .574461 | < 1/R**2 > | .538652 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 5.615815 | 1.12625772 |
| 2 | 3p | 6.774237 | -.14583184 |
| 3 | 2p | 14.383709 | .01300067 |
| 4 | 5p | 10.877735 | .00529991 |
| 5 | 4p | 3.670630 | -.00199851 |
| 6 | 5p | 17.949474 | .00334553 |
| 7 | 5p | 3.459205 | .00293163 |
| ORB.ENERGY,a.u. | -14.106000 | ||
| NORM | 1.000000 | < R > | .430746 | < R2 > | .224842 | < 1/R > | 2.937756 | < 1/R**2 > | 11.694272 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 12.150463 | .36472479 |
| 2 | 2s | 5.191435 | -.80500666 |
| 3 | 3s | 7.623736 | -.28122084 |
| 4 | 4s | 26.077737 | .00147016 |
| 5 | 5s | 14.880060 | -.01128493 |
| 6 | 5s | 5.742185 | .01776893 |
| ORB.ENERGY,a.u. | -14.065000 | ||
| NORM | 1.000000 | < R > | .494649 | < R2 > | .286448 | < 1/R > | 2.959489 | < 1/R**2 > | 35.445645 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 13.162375 | .92549280 |
| 2 | 1s | 20.205795 | .07498262 |
| 3 | 2s | 11.646414 | .01894819 |
| 4 | 3s | 14.523376 | -.01694593 |
| 5 | 4s | 67.531204 | -.00007331 |
| 6 | 5s | 32.581679 | .00074360 |
| 7 | 4s | 4.931219 | .00002799 |
| ORB.ENERGY,a.u. | -79.321000 |
| NORM | 1.000000 | < R > | .110547 | < R2 > | .016376 | < 1/R > | 13.649299 | < 1/R**2 > | 375.270198 |
Total Energy= -241.16057871 a.u.
Kinetic Energy= 241.10626914 a.u.
Potential Energy= -482.26684785 a.u.
Virial Ratio = -2.00022525