(1s 1 5s 1 ) 3 S Mg 10+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3050.
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 | 5s- electron | |
| 1 | 1s | 8.663166 | .13242714 |
| 2 | 2s | 3.250105 | -1.93328811 |
| 3 | 3s | 2.523072 | 6.85513142 |
| 4 | 4s | 2.033720 | -18.62932991 |
| 5 | 5s | 2.159713 | 14.39595677 |
| 6 | 2s | 6.189580 | .18142127 |
| 7 | 5s | 20.244670 | .00083760 |
| 8 | 4s | 1.393008 | .01975099 |
| 9 | 4s | 31.189143 | .00005887 |
| ORB.ENERGY,a.u. | -2.599700 | ||
| NORM | 1.000004 | < R > | 3.356080 | < R2 > | 12.613855 | < 1/R > | .443415 | < 1/R**2 > | 1.936643 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 11.745381 | .88929590 |
| 2 | 1s | 14.405275 | .10559609 |
| 3 | 2s | 14.313823 | .01067450 |
| 4 | 3s | 12.272393 | -.00526831 |
| 5 | 4s | 31.238930 | .00001743 |
| 6 | 5s | 18.269907 | .00004264 |
| ORB.ENERGY,a.u. | -71.720000 |
| NORM | 1.000000 | < R > | .124999 | < R2 > | .020834 | < 1/R > | 12.000240 | < 1/R**2 > | 288.012378 |
Total Energy= -74.45264014 a.u.
Kinetic Energy= 74.45873115 a.u.
Potential Energy= -148.91137129 a.u.
Virial Ratio = -1.99991820