(1s 1 5d 1 ) 3 D Mg 10+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3252.
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 | 2.199848 | 3.55256420 |
| 2 | 4d | 2.200201 | -8.87009932 |
| 3 | 5d | 2.201125 | 6.00853089 |
| 4 | 3d | 9.504173 | .00084829 |
| 5 | 5d | 15.521717 | -.00030481 |
| 6 | 4d | 1.633582 | .00416475 |
| ORB.ENERGY,a.u. | -2.559600 | ||
| NORM | 1.000000 | < R > | 3.135053 | < R2 > | 11.148366 | < 1/R > | .440358 | < 1/R**2 > | .388347 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 11.744950 | .88929366 |
| 2 | 1s | 14.404571 | .10560613 |
| 3 | 2s | 14.292298 | .01066949 |
| 4 | 3s | 12.221345 | -.00528031 |
| 5 | 4s | 24.220966 | .00002277 |
| 6 | 5s | 12.572868 | .00005185 |
| ORB.ENERGY,a.u. | -71.680000 |
| NORM | 1.000000 | < R > | .125005 | < R2 > | .020835 | < 1/R > | 11.999747 | < 1/R**2 > | 287.990958 |
Total Energy= -74.42613267 a.u.
Kinetic Energy= 74.42088852 a.u.
Potential Energy= -148.84702119 a.u.
Virial Ratio = -2.00007047