(1s 1 5d 1 ) 1 D Mg 10+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1252.
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 | 5d- electron | |
| 1 | 3d | 2.200407 | 3.54840838 |
| 2 | 4d | 2.200200 | -8.84564726 |
| 3 | 5d | 2.199710 | 5.99257994 |
| 4 | 5d | 8.330436 | -.00028112 |
| 5 | 3d | 25.393613 | .00001084 |
| 6 | 4d | 13.907840 | -.00016864 |
| ORB.ENERGY,a.u. | -2.558400 | ||
| NORM | 1.000001 | < R > | 3.136965 | < R2 > | 11.161080 | < 1/R > | .439854 | < 1/R**2 > | .386779 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 11.745237 | .88929114 |
| 2 | 1s | 14.404571 | .10560326 |
| 3 | 2s | 14.303335 | .01066937 |
| 4 | 3s | 12.173014 | -.00529731 |
| 5 | 4s | 23.847747 | .00002318 |
| 6 | 5s | 14.061520 | .00004274 |
| ORB.ENERGY,a.u. | -71.678000 |
| NORM | 1.000000 | < R > | .124998 | < R2 > | .020833 | < 1/R > | 12.000109 | < 1/R**2 > | 288.003951 |
Total Energy= -74.42608276 a.u.
Kinetic Energy= 74.41968049 a.u.
Potential Energy= -148.84576324 a.u.
Virial Ratio = -2.00008603