(1s 2 2s 2 ) 3 S Mg 8+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3020.
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 | 10.185212 | .37679589 |
| 2 | 2s | 4.753292 | -.77547739 |
| 3 | 3s | 5.954488 | -.29102677 |
| 4 | 5s | 10.884519 | -.02567185 |
| 5 | 4s | 21.298385 | .00176046 |
| 6 | 5s | 14.849859 | -.00648493 |
| 7 | 2s | 30.109435 | -.00006386 |
| ORB.ENERGY,a.u. | -11.905000 | ||
| NORM | 1.000000 | < R > | .574654 | < R2 > | .385910 | < 1/R > | 2.541935 | < 1/R**2 > | 26.046853 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 11.428266 | .93987969 |
| 2 | 1s | 19.000020 | .04894744 |
| 3 | 2s | 14.900296 | .01505297 |
| 4 | 3s | 12.830822 | .00153710 |
| 5 | 4s | 46.201401 | -.00069309 |
| 6 | 5s | 61.062877 | .00025898 |
| 7 | 5s | 13.101262 | .00140809 |
| ORB.ENERGY,a.u. | -60.402000 |
| NORM | 1.000000 | < R > | .129273 | < R2 > | .022386 | < 1/R > | 11.671970 | < 1/R**2 > | 274.521029 |
Total Energy= -161.96608251 a.u.
Kinetic Energy= 161.96608424 a.u.
Potential Energy= -323.93216675 a.u.
Virial Ratio = -1.99999999