(1s 2 2s 1 ) 2 S Mg 9+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2020.
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 | 2s- electron | |
| 1 | 1s | 10.363073 | .38055255 |
| 2 | 2s | 4.932841 | -.66506474 |
| 3 | 3s | 6.190873 | -.40857123 |
| 4 | 5s | 11.471760 | -.02329544 |
| 5 | 4s | 23.323948 | .00251894 |
| 6 | 5s | 34.341198 | -.00035663 |
| 7 | 5s | 3.104509 | .00011589 |
| ORB.ENERGY,a.u. | -13.501000 | ||
| NORM | 1.000000 | < R > | .559234 | < R2 > | .364689 | < 1/R > | 2.625264 | < 1/R**2 > | 27.800720 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 11.434119 | .93450645 |
| 2 | 1s | 18.314685 | .05422110 |
| 3 | 2s | 13.349045 | .01685842 |
| 4 | 3s | 8.530637 | .00177761 |
| 5 | 4s | 17.652972 | -.00080575 |
| 6 | 5s | 30.352396 | .00054007 |
| 7 | 3s | 25.524894 | -.00084174 |
| 8 | 5s | 6.143027 | .00016076 |
| 9 | 4s | 71.775734 | -.00001966 |
| ORB.ENERGY,a.u. | -62.381000 |
| NORM | 1.000000 | < R > | .129235 | < R2 > | .022376 | < 1/R > | 11.675793 | < 1/R**2 > | 274.692011 |
Total Energy= -150.08465598 a.u.
Kinetic Energy= 150.08465249 a.u.
Potential Energy= -300.16930847 a.u.
Virial Ratio = -2.00000002