(1s 2 2s 2 2p 1 3p 1 ) 1 S Al 7+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1031.
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 | 3p- electron | |
| 1 | 2p | 2.591792 | .85338549 |
| 2 | 3p | 2.886690 | -1.79392973 |
| 3 | 2p | 8.939055 | .01919925 |
| 4 | 4p | 6.222518 | .04836179 |
| 5 | 5p | 18.452664 | .00162724 |
| 6 | 5p | 2.902069 | -.01905501 |
| 7 | 4p | 29.211027 | .00014658 |
| ORB.ENERGY,a.u. | -4.018900 | ||
| NORM | 1.000000 | < R > | 1.399326 | < R2 > | 2.163666 | < 1/R > | .808529 | < 1/R**2 > | .840916 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 5.208198 | 1.04983153 |
| 2 | 3p | 2.609904 | -.29005754 |
| 3 | 2p | 10.048814 | .05696768 |
| 4 | 5p | 10.751443 | .00459211 |
| 5 | 4p | 21.415946 | -.00264001 |
| 6 | 5p | 2.487512 | .04116050 |
| 7 | 3p | 26.985171 | -.00046543 |
| 8 | 4p | 1.890292 | -.02523559 |
| 9 | 3p | 1.364429 | .00651675 |
| ORB.ENERGY,a.u. | -11.238000 | ||
| NORM | 1.000000 | < R > | .449893 | < R2 > | .274734 | < 1/R > | 2.866741 | < 1/R**2 > | 11.002423 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 11.340635 | .35511948 |
| 2 | 2s | 4.728090 | -.80112250 |
| 3 | 3s | 6.985633 | -.27822622 |
| 4 | 4s | 24.495977 | .00144834 |
| 5 | 5s | 13.696888 | -.01248305 |
| 6 | 5s | 5.553920 | .01586230 |
| ORB.ENERGY,a.u. | -11.507000 | ||
| NORM | 1.000000 | < R > | .541166 | < R2 > | .343272 | < 1/R > | 2.700047 | < 1/R**2 > | 29.536648 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 12.169097 | .92384033 |
| 2 | 1s | 18.829629 | .07733348 |
| 3 | 2s | 10.908986 | .01809704 |
| 4 | 3s | 13.759396 | -.01659796 |
| 5 | 4s | 66.019167 | -.00006409 |
| 6 | 5s | 30.052392 | .00094702 |
| ORB.ENERGY,a.u. | -67.248000 |
| NORM | 1.000000 | < R > | .119381 | < R2 > | .019108 | < 1/R > | 12.646609 | < 1/R**2 > | 322.372906 |
Total Energy= -207.86461003 a.u.
Kinetic Energy= 207.78632475 a.u.
Potential Energy= -415.65093478 a.u.
Virial Ratio = -2.00037676