(1s 2 2s 2 2p 2 5d 1 ) 4 D Al 6+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4252.
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 | 1.855460 | 1.49188705 |
| 2 | 4d | 1.566787 | -3.79490367 |
| 3 | 5d | 1.398189 | 3.03890897 |
| 4 | 3d | 5.659226 | .03033595 |
| 5 | 5d | 3.163630 | -.06846405 |
| 6 | 4d | 14.319151 | -.00031084 |
| 7 | 5d | 1.060206 | -.01387013 |
| ORB.ENERGY,a.u. | -1.013400 | ||
| NORM | 1.000000 | < R > | 4.745341 | < R2 > | 25.587903 | < 1/R > | .295991 | < 1/R**2 > | .187106 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 4.853504 | 1.19237391 |
| 2 | 3p | 5.892992 | -.21097435 |
| 3 | 2p | 13.108314 | .01693098 |
| 4 | 4p | 14.877523 | .00532725 |
| 5 | 5p | 22.716105 | -.00088159 |
| 6 | 5p | 5.418177 | -.00262635 |
| 7 | 4p | 60.724941 | .00002162 |
| 8 | 3p | 1.751845 | .00739269 |
| 9 | 4p | 2.097446 | -.00666591 |
| ORB.ENERGY,a.u. | -10.157000 | ||
| NORM | 1.000000 | < R > | .490838 | < R2 > | .293376 | < 1/R > | 2.594297 | < 1/R**2 > | 9.190301 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 10.527086 | .38737155 |
| 2 | 2s | 5.404166 | -.83559503 |
| 3 | 3s | 5.643935 | -.27282901 |
| 4 | 4s | 21.169494 | .00247566 |
| 5 | 3s | 12.813856 | .01526033 |
| 6 | 5s | 5.592181 | -.03639710 |
| ORB.ENERGY,a.u. | -9.388200 | ||
| NORM | 1.000000 | < R > | .553626 | < R2 > | .359890 | < 1/R > | 2.634701 | < 1/R**2 > | 28.219884 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 12.159524 | .91996602 |
| 2 | 1s | 18.807097 | .07951045 |
| 3 | 2s | 11.309399 | .01918293 |
| 4 | 3s | 14.399333 | -.01548730 |
| 5 | 5s | 30.698985 | .00111324 |
| 6 | 4s | 73.283722 | -.00004074 |
| 7 | 5s | 9.726390 | .00057513 |
| ORB.ENERGY,a.u. | -64.512000 |
| NORM | 1.000000 | < R > | .119593 | < R2 > | .019192 | < 1/R > | 12.632570 | < 1/R**2 > | 321.821825 |
Total Energy= -215.24059399 a.u.
Kinetic Energy= 215.24384982 a.u.
Potential Energy= -430.48444381 a.u.
Virial Ratio = -1.99998487