(1s 2 2s 2 2p 2 4d 1 ) 4 P Al 6+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4142.
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 | 1.686848 | 2.36398142 |
| 2 | 4d | 1.790747 | -2.95840308 |
| 3 | 3d | 3.856155 | .12403119 |
| 4 | 4d | 4.945584 | -.05109475 |
| 5 | 5d | 1.620891 | -.03013329 |
| 6 | 5d | 37.676021 | .00000444 |
| 7 | 3d | 19.816360 | .00004083 |
| ORB.ENERGY,a.u. | -1.580700 | ||
| NORM | .999999 | < R > | 2.885604 | < R2 > | 9.551557 | < 1/R > | .462208 | < 1/R**2 > | .355151 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 4.842048 | 1.18201473 |
| 2 | 3p | 5.812515 | -.20437702 |
| 3 | 2p | 12.950424 | .01895492 |
| 4 | 4p | 15.050406 | .00724233 |
| 5 | 5p | 21.694094 | -.00152547 |
| 6 | 5p | 2.876563 | .00076369 |
| 7 | 4p | 58.421546 | .00003333 |
| ORB.ENERGY,a.u. | -9.964000 | ||
| NORM | 1.000000 | < R > | .490982 | < R2 > | .293635 | < 1/R > | 2.593968 | < 1/R**2 > | 9.188775 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 10.521936 | .38738458 |
| 2 | 2s | 5.407557 | -.83540058 |
| 3 | 3s | 5.629683 | -.27295812 |
| 4 | 4s | 20.980949 | .00253663 |
| 5 | 3s | 12.863243 | .01512658 |
| 6 | 5s | 5.581345 | -.03698499 |
| ORB.ENERGY,a.u. | -9.388200 | ||
| NORM | 1.000000 | < R > | .554038 | < R2 > | .360488 | < 1/R > | 2.632832 | < 1/R**2 > | 28.183199 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 12.159672 | .91996031 |
| 2 | 1s | 18.805267 | .07951672 |
| 3 | 2s | 11.303105 | .01918602 |
| 4 | 3s | 14.396241 | -.01548855 |
| 5 | 5s | 30.676783 | .00111381 |
| 6 | 4s | 73.320219 | -.00004150 |
| 7 | 5s | 9.708029 | .00057422 |
| ORB.ENERGY,a.u. | -64.512000 |
| NORM | 1.000000 | < R > | .119593 | < R2 > | .019192 | < 1/R > | 12.632581 | < 1/R**2 > | 321.822388 |
Total Energy= -215.81876772 a.u.
Kinetic Energy= 215.81110689 a.u.
Potential Energy= -431.62987461 a.u.
Virial Ratio = -2.00003550