(1s 2 2s 2 2p 5 3d 1 ) 1 F Al 3+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1332.
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 | 1.434398 | 1.10149608 |
| 2 | 3d | 4.601589 | .03256751 |
| 3 | 4d | 1.916765 | -.13528487 |
| 4 | 5d | 7.114326 | -.00351622 |
| 5 | 4d | 26.660114 | .00003254 |
| 6 | 5d | 1.374814 | .03001336 |
| ORB.ENERGY,a.u. | -.921480 | ||
| NORM | 1.000000 | < R > | 2.464664 | < R2 > | 7.024418 | < 1/R > | .482973 | < 1/R**2 > | .290246 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 3.784408 | 1.31159643 |
| 2 | 3p | 4.474469 | -.40940124 |
| 3 | 2p | 9.398939 | .09334565 |
| 4 | 4p | 11.050238 | .01933012 |
| 5 | 3p | 22.007440 | .00006928 |
| 6 | 5p | 2.628885 | .01438434 |
| 7 | 4p | 2.346726 | -.01596403 |
| 8 | 5p | 35.342191 | -.00008548 |
| ORB.ENERGY,a.u. | -5.026100 | ||
| NORM | 1.000000 | < R > | .566154 | < R2 > | .399408 | < 1/R > | 2.308103 | < 1/R**2 > | 7.479775 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 10.642538 | .34923209 |
| 2 | 2s | 5.139529 | -.82775310 |
| 3 | 3s | 4.356480 | -.30214594 |
| 4 | 4s | 16.604154 | .00545396 |
| 5 | 3s | 15.521839 | .00650110 |
| 6 | 5s | 33.727344 | .00030715 |
| 7 | 5s | 3.439469 | -.00177717 |
| ORB.ENERGY,a.u. | -6.075600 | ||
| NORM | 1.000000 | < R > | .602476 | < R2 > | .431045 | < 1/R > | 2.415885 | < 1/R**2 > | 24.015860 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 12.197489 | .91349608 |
| 2 | 1s | 18.069721 | .08416613 |
| 3 | 2s | 6.986035 | .01939629 |
| 4 | 3s | 8.838326 | -.02058714 |
| 5 | 4s | 11.210857 | .01067733 |
| 6 | 5s | 31.087563 | .00096923 |
| 7 | 4s | 73.079715 | -.00003946 |
| ORB.ENERGY,a.u. | -59.102000 |
| NORM | 1.000000 | < R > | .120143 | < R2 > | .019411 | < 1/R > | 12.596609 | < 1/R**2 > | 320.415966 |
Total Energy= -236.56842099 a.u.
Kinetic Energy= 236.56442366 a.u.
Potential Energy= -473.13284466 a.u.
Virial Ratio = -2.00001690