(1s 1 4d 1 ) 3 D Mg 10+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3242.
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 | 2.891633 | 1.78267888 |
| 2 | 4d | 2.740368 | -2.28695365 |
| 3 | 3d | 10.767132 | .00073588 |
| 4 | 4d | 2.198614 | .00291383 |
| 5 | 5d | 16.702081 | -.00021321 |
| ORB.ENERGY,a.u. | -3.922000 | ||
| NORM | 1.000000 | < R > | 1.908070 | < R2 > | 4.161222 | < 1/R > | .688143 | < 1/R**2 > | .758430 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 11.744664 | .88930166 |
| 2 | 1s | 14.405451 | .10560320 |
| 3 | 2s | 14.288636 | .01066788 |
| 4 | 3s | 12.251780 | -.00527085 |
| 5 | 4s | 25.005335 | .00002299 |
| 6 | 5s | 11.645241 | .00006034 |
| ORB.ENERGY,a.u. | -71.422000 |
| NORM | 1.000000 | < R > | .125009 | < R2 > | .020837 | < 1/R > | 11.999532 | < 1/R**2 > | 287.983326 |
Total Energy= -75.79163676 a.u.
Kinetic Energy= 75.78270920 a.u.
Potential Energy= -151.57434596 a.u.
Virial Ratio = -2.00011780