(1s 2 4d 1 ) 2 D Mg 9+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2242.
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 | 4d- electron | |
| 1 | 3d | 2.623860 | 1.79391385 |
| 2 | 4d | 2.491812 | -2.29849462 |
| 3 | 3d | 14.428031 | .00035969 |
| 4 | 4d | 9.069897 | .00041131 |
| 5 | 5d | 2.247323 | .00244108 |
| ORB.ENERGY,a.u. | -3.127200 | ||
| NORM | .999999 | < R > | 2.098746 | < R2 > | 5.034532 | < 1/R > | .625667 | < 1/R**2 > | .627109 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 11.447277 | .93656323 |
| 2 | 1s | 18.875679 | .05056320 |
| 3 | 2s | 14.945054 | .01695490 |
| 4 | 3s | 11.990565 | .00264152 |
| 5 | 4s | 38.311231 | -.00109883 |
| 6 | 5s | 47.065362 | .00039732 |
| 7 | 3s | 66.173163 | -.00004510 |
| ORB.ENERGY,a.u. | -64.051000 |
| NORM | 1.000000 | < R > | .129047 | < R2 > | .022296 | < 1/R > | 11.687264 | < 1/R**2 > | 275.134260 |
Total Energy= -139.74163360 a.u.
Kinetic Energy= 139.73740917 a.u.
Potential Energy= -279.47904277 a.u.
Virial Ratio = -2.00003023