(1s 2 2s 2 2p 1 5d 1 ) 1 D Al 7+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1252.
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 | 2.145204 | 1.30098877 |
| 2 | 4d | 1.745511 | -3.93922378 |
| 3 | 5d | 1.602443 | 3.32271202 |
| 4 | 3d | 4.749564 | .05412434 |
| 5 | 5d | 1.263179 | -.02074636 |
| 6 | 5d | 7.236463 | -.00779988 |
| 7 | 4d | 28.526858 | .00005323 |
| 8 | 3d | 54.126558 | .00000211 |
| ORB.ENERGY,a.u. | -1.321500 | ||
| NORM | 1.000000 | < R > | 4.166298 | < R2 > | 19.704779 | < 1/R > | .334739 | < 1/R**2 > | .234198 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 5.176591 | 1.08037039 |
| 2 | 3p | 6.327737 | -.10001232 |
| 3 | 2p | 12.619769 | .01786369 |
| 4 | 5p | 16.049343 | .00252641 |
| 5 | 4p | 24.438695 | -.00041127 |
| 6 | 5p | 5.638126 | .01089806 |
| 7 | 5p | 65.587131 | -.00001139 |
| 8 | 4p | 4.716062 | -.00394633 |
| ORB.ENERGY,a.u. | -11.806000 | ||
| NORM | 1.000000 | < R > | .472635 | < R2 > | .270833 | < 1/R > | 2.680338 | < 1/R**2 > | 9.751493 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 11.334201 | .35693595 |
| 2 | 2s | 4.742649 | -.80179603 |
| 3 | 3s | 6.991550 | -.27864615 |
| 4 | 4s | 24.852874 | .00131928 |
| 5 | 5s | 13.727754 | -.01361400 |
| 6 | 5s | 5.300622 | .01908491 |
| ORB.ENERGY,a.u. | -11.507000 | ||
| NORM | 1.000000 | < R > | .538785 | < R2 > | .339954 | < 1/R > | 2.711744 | < 1/R**2 > | 29.769078 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 12.172968 | .92274342 |
| 2 | 1s | 18.728585 | .07846356 |
| 3 | 2s | 10.624440 | .01824771 |
| 4 | 3s | 13.396947 | -.01685848 |
| 5 | 4s | 65.179569 | -.00006984 |
| 6 | 5s | 30.049340 | .00087947 |
| 7 | 4s | 3.688307 | .00002223 |
| ORB.ENERGY,a.u. | -67.248000 |
| NORM | 1.000000 | < R > | .119326 | < R2 > | .019088 | < 1/R > | 12.650561 | < 1/R**2 > | 322.532041 |
Total Energy= -205.08232815 a.u.
Kinetic Energy= 205.09131917 a.u.
Potential Energy= -410.17364732 a.u.
Virial Ratio = -1.99995616