(1s 1 2p 1 ) 3 P Mg 10+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3121.
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 | 5.572863 | .98506997 |
| 2 | 2p | 11.274576 | .01527817 |
| 3 | 3p | 5.493047 | .00921361 |
| 4 | 4p | 6.686981 | -.00506433 |
| 5 | 5p | 22.551974 | -.00057256 |
| ORB.ENERGY,a.u. | -15.514000 | ||
| NORM | 1.000000 | < R > | .445807 | < R2 > | .239109 | < 1/R > | 2.814662 | < 1/R**2 > | 10.624208 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 11.709533 | .91711717 |
| 2 | 1s | 15.344877 | .07805031 |
| 3 | 2s | 14.456631 | .01098757 |
| 4 | 3s | 15.031594 | -.00480110 |
| 5 | 4s | 32.695399 | .00005853 |
| 6 | 5s | 10.392669 | .00070349 |
| ORB.ENERGY,a.u. | -69.514000 |
| NORM | 1.000000 | < R > | .125629 | < R2 > | .021083 | < 1/R > | 11.959446 | < 1/R**2 > | 286.454638 |
Total Energy= -87.27327526 a.u.
Kinetic Energy= 87.36105007 a.u.
Potential Energy= -174.63432532 a.u.
Virial Ratio = -1.99899526