(1s 1 3d 1 ) 3 D Al 11+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3232.
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 | 3d- electron | |
| 1 | 3d | 4.002505 | 1.00231691 |
| 2 | 3d | 14.898988 | .00039045 |
| 3 | 4d | 5.255027 | -.00242296 |
| ORB.ENERGY,a.u. | -8.196100 | ||
| NORM | 1.000000 | < R > | .874406 | < R2 > | .873932 | < 1/R > | 1.334570 | < 1/R**2 > | 2.138329 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 12.749544 | .88934051 |
| 2 | 1s | 15.405859 | .10555840 |
| 3 | 2s | 14.834072 | .01066736 |
| 4 | 3s | 13.642581 | -.00519994 |
| 5 | 4s | 25.575791 | .00002185 |
| 6 | 5s | 9.218902 | .00005165 |
| ORB.ENERGY,a.u. | -83.307000 |
| NORM | 1.000000 | < R > | .115399 | < R2 > | .017758 | < 1/R > | 12.999084 | < 1/R**2 > | 337.964842 |
Total Energy= -92.52196191 a.u.
Kinetic Energy= 92.50295483 a.u.
Potential Energy= -185.02491674 a.u.
Virial Ratio = -2.00020548