(1s 2 2s 2 2p 3 ) 4 S Al 6+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4021.
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 | 2p- electron | |
| 1 | 2p | 4.648327 | 1.21514838 |
| 2 | 3p | 5.699788 | -.24254184 |
| 3 | 2p | 12.046783 | .02454641 |
| 4 | 4p | 13.264321 | .00550553 |
| 5 | 5p | 27.806291 | -.00029398 |
| 6 | 5p | 4.215827 | .00323572 |
| ORB.ENERGY,a.u. | -8.891300 | ||
| NORM | 1.000000 | < R > | .510260 | < R2 > | .318596 | < 1/R > | 2.509626 | < 1/R**2 > | 8.655533 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 10.562192 | .37447809 |
| 2 | 2s | 5.318252 | -.83303071 |
| 3 | 3s | 5.226214 | -.27550292 |
| 4 | 4s | 20.957032 | .00242050 |
| 5 | 3s | 13.002905 | .01342106 |
| 6 | 5s | 5.301151 | -.03134517 |
| 7 | 5s | 2.989487 | -.00012225 |
| ORB.ENERGY,a.u. | -9.388200 | ||
| NORM | 1.000000 | < R > | .568924 | < R2 > | .381177 | < 1/R > | 2.560382 | < 1/R**2 > | 26.756904 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 12.168726 | .92175155 |
| 2 | 1s | 19.473164 | .07350569 |
| 3 | 2s | 13.849244 | .02033813 |
| 4 | 3s | 15.969204 | -.01253153 |
| 5 | 5s | 30.015913 | .00091649 |
| 6 | 4s | 8.013775 | .00082562 |
| 7 | 5s | 13.341441 | .00223707 |
| 8 | 3s | 44.937469 | -.00014239 |
| ORB.ENERGY,a.u. | -64.512000 |
| NORM | 1.000000 | < R > | .119822 | < R2 > | .019282 | < 1/R > | 12.617337 | < 1/R**2 > | 321.223329 |
Total Energy= -223.11854862 a.u.
Kinetic Energy= 223.11854391 a.u.
Potential Energy= -446.23709253 a.u.
Virial Ratio = -2.00000002