(1s 2 2s 2 2p 2 3d 1 ) 2 F Al 6+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2332.
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 | 2.392060 | 1.06847083 |
| 2 | 3d | 6.350763 | .02101596 |
| 3 | 4d | 2.904482 | -.07883159 |
| 4 | 5d | 18.567354 | -.00009231 |
| 5 | 4d | 39.633980 | .00000774 |
| ORB.ENERGY,a.u. | -2.786700 | ||
| NORM | 1.000000 | < R > | 1.442791 | < R2 > | 2.394542 | < 1/R > | .816927 | < 1/R**2 > | .814130 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 4.833111 | 1.19794569 |
| 2 | 3p | 5.784098 | -.21875369 |
| 3 | 2p | 13.154624 | .01745377 |
| 4 | 4p | 15.673389 | .00599302 |
| 5 | 5p | 2.022766 | -.00008888 |
| 6 | 5p | 22.822122 | -.00142178 |
| 7 | 4p | 63.068994 | .00002464 |
| ORB.ENERGY,a.u. | -9.497100 | ||
| NORM | 1.000000 | < R > | .490698 | < R2 > | .293266 | < 1/R > | 2.595302 | < 1/R**2 > | 9.197535 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 10.524839 | .38646414 |
| 2 | 2s | 5.401612 | -.83511602 |
| 3 | 3s | 5.604593 | -.27303529 |
| 4 | 4s | 20.904615 | .00255892 |
| 5 | 3s | 12.936536 | .01469291 |
| 6 | 5s | 5.434914 | -.03747877 |
| 7 | 4s | 2.235333 | -.00011757 |
| ORB.ENERGY,a.u. | -9.388200 | ||
| NORM | 1.000000 | < R > | .555327 | < R2 > | .362438 | < 1/R > | 2.627419 | < 1/R**2 > | 28.079782 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 12.159524 | .91996694 |
| 2 | 1s | 18.806957 | .07951112 |
| 3 | 2s | 11.306853 | .01918311 |
| 4 | 3s | 14.399413 | -.01548705 |
| 5 | 5s | 30.704976 | .00111279 |
| 6 | 4s | 73.231390 | -.00004042 |
| 7 | 5s | 9.695733 | .00058052 |
| ORB.ENERGY,a.u. | -64.512000 |
| NORM | 1.000000 | < R > | .119593 | < R2 > | .019192 | < 1/R > | 12.632557 | < 1/R**2 > | 321.821697 |
Total Energy= -217.07338572 a.u.
Kinetic Energy= 217.01722149 a.u.
Potential Energy= -434.09060721 a.u.
Virial Ratio = -2.00025880