(1s 2 2s 2 2p 2 ) 1 S Al 7+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1021.
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 | 4.947772 | 1.11286712 |
| 2 | 3p | 6.533455 | -.14836944 |
| 3 | 2p | 10.808162 | .02903921 |
| 4 | 5p | 14.079921 | .00400996 |
| 5 | 4p | 26.512550 | -.00073015 |
| 6 | 5p | 5.110105 | .02284568 |
| 7 | 5p | 79.941332 | -.00001862 |
| 8 | 4p | 4.520148 | -.00452433 |
| ORB.ENERGY,a.u. | -9.940800 | ||
| NORM | 1.000000 | < R > | .498179 | < R2 > | .303316 | < 1/R > | 2.567009 | < 1/R**2 > | 9.039243 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 11.218014 | .35266927 |
| 2 | 2s | 4.777555 | -.82022520 |
| 3 | 3s | 6.310840 | -.28025664 |
| 4 | 4s | 24.817795 | .00103863 |
| 5 | 5s | 14.133635 | -.01168408 |
| 6 | 5s | 7.866997 | .03361491 |
| ORB.ENERGY,a.u. | -11.507000 | ||
| NORM | 1.000000 | < R > | .552860 | < R2 > | .358845 | < 1/R > | 2.638598 | < 1/R**2 > | 28.298276 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 12.227815 | .93990562 |
| 2 | 1s | 19.500237 | .06161700 |
| 3 | 2s | 10.920903 | .01465070 |
| 4 | 3s | 14.958956 | -.01308935 |
| 5 | 4s | 70.380387 | -.00005014 |
| 6 | 5s | 30.110551 | .00112690 |
| 7 | 5s | 9.428295 | .00050843 |
| ORB.ENERGY,a.u. | -67.248000 |
| NORM | 1.000000 | < R > | .119581 | < R2 > | .019187 | < 1/R > | 12.633393 | < 1/R**2 > | 321.854182 |
Total Energy= -214.22533475 a.u.
Kinetic Energy= 213.70649939 a.u.
Potential Energy= -427.93183414 a.u.
Virial Ratio = -2.00242779