(1s 2 2p 1 ) 2 P Mg 9+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2121.
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 | 2p- electron | |
| 1 | 2p | 5.061812 | .97448462 |
| 2 | 2p | 11.163034 | .01455214 |
| 3 | 2p | 14.500660 | .00488406 |
| 4 | 3p | 8.174666 | .01643398 |
| 5 | 4p | 8.330736 | -.00311935 |
| 6 | 5p | 26.947901 | -.00023189 |
| ORB.ENERGY,a.u. | -12.756000 | ||
| NORM | 1.000000 | < R > | .487550 | < R2 > | .286303 | < 1/R > | 2.578866 | < 1/R**2 > | 8.952433 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 11.445218 | .93283275 |
| 2 | 1s | 18.269763 | .05412940 |
| 3 | 2s | 14.105729 | .01464184 |
| 4 | 3s | 11.242183 | .00596130 |
| 5 | 4s | 46.205776 | -.00060158 |
| 6 | 5s | 60.975214 | .00022674 |
| 7 | 5s | 9.533666 | .00028210 |
| ORB.ENERGY,a.u. | -62.088000 |
| NORM | 1.000000 | < R > | .129452 | < R2 > | .022465 | < 1/R > | 11.663356 | < 1/R**2 > | 274.255089 |
Total Energy= -149.35696406 a.u.
Kinetic Energy= 149.35694858 a.u.
Potential Energy= -298.71391264 a.u.
Virial Ratio = -2.00000010