(1s 2 2s 2 2p 2 5d 1 ) 4 F Al 6+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4352.
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 | 1.867093 | 1.46876131 |
| 2 | 4d | 1.576576 | -3.72485884 |
| 3 | 5d | 1.403944 | 2.99774360 |
| 4 | 3d | 5.469422 | .03281347 |
| 5 | 5d | 3.080351 | -.07873881 |
| 6 | 4d | 14.354242 | .00027717 |
| 7 | 5d | 1.077423 | -.01398439 |
| 8 | 5d | 19.437391 | -.00026724 |
| ORB.ENERGY,a.u. | -1.019200 | ||
| NORM | .999997 | < R > | 4.719672 | < R2 > | 25.304424 | < 1/R > | .297258 | < 1/R**2 > | .188581 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 4.852570 | 1.18972011 |
| 2 | 3p | 5.859130 | -.20924402 |
| 3 | 2p | 13.150641 | .01704962 |
| 4 | 4p | 15.501836 | .00546941 |
| 5 | 5p | 23.093575 | -.00118119 |
| 6 | 5p | 1.002636 | .00050075 |
| 7 | 4p | 63.927653 | .00002073 |
| 8 | 3p | .639875 | -.00043648 |
| ORB.ENERGY,a.u. | -10.163000 | ||
| NORM | 1.000000 | < R > | .490872 | < R2 > | .293418 | < 1/R > | 2.594120 | < 1/R**2 > | 9.189075 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 10.527115 | .38736891 |
| 2 | 2s | 5.404127 | -.83559360 |
| 3 | 3s | 5.643907 | -.27282721 |
| 4 | 4s | 21.171156 | .00247693 |
| 5 | 3s | 12.813524 | .01525508 |
| 6 | 5s | 5.592397 | -.03639234 |
| ORB.ENERGY,a.u. | -9.388200 | ||
| NORM | 1.000000 | < R > | .553626 | < R2 > | .359890 | < 1/R > | 2.634696 | < 1/R**2 > | 28.219752 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 12.159524 | .91996678 |
| 2 | 1s | 18.807021 | .07951083 |
| 3 | 2s | 11.308823 | .01918175 |
| 4 | 3s | 14.398292 | -.01548767 |
| 5 | 5s | 30.698553 | .00111288 |
| 6 | 4s | 73.267210 | -.00004071 |
| 7 | 5s | 9.729695 | .00057546 |
| ORB.ENERGY,a.u. | -64.512000 |
| NORM | 1.000000 | < R > | .119593 | < R2 > | .019192 | < 1/R > | 12.632577 | < 1/R**2 > | 321.822097 |
Total Energy= -215.24054393 a.u.
Kinetic Energy= 215.24967275 a.u.
Potential Energy= -430.49021669 a.u.
Virial Ratio = -1.99995759