(1s 2 2s 2 2p 6 3s 1 ) 2 S Al 2+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2030.
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 | 3s- electron | |
| 1 | 1s | 12.685999 | .07262254 |
| 2 | 2s | 3.708921 | -.32005431 |
| 3 | 3s | 1.717545 | .95939611 |
| 4 | 4s | 1.497290 | .13142783 |
| 5 | 4s | 9.371366 | -.04181378 |
| 6 | 5s | 16.746476 | -.00394260 |
| 7 | 2s | 15.505744 | .00709891 |
| 8 | 1s | .530389 | -.00243927 |
| ORB.ENERGY,a.u. | -1.032100 | ||
| NORM | 1.000000 | < R > | 2.236212 | < R2 > | 5.694492 | < 1/R > | .589461 | < 1/R**2 > | 1.921486 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 6.156348 | .53843291 |
| 2 | 3p | 4.659612 | .45750119 |
| 3 | 4p | 3.718465 | .10300340 |
| 4 | 5p | 4.394023 | .00734374 |
| 5 | 2p | 13.746796 | .01121478 |
| 6 | 5p | 10.884703 | -.00858799 |
| 7 | 4p | 47.697306 | .00003139 |
| 8 | 4p | 2.486780 | .00393217 |
| 9 | 3p | 75.156158 | .00000334 |
| ORB.ENERGY,a.u. | -3.834300 | ||
| NORM | 1.000000 | < R > | .598597 | < R2 > | .451645 | < 1/R > | 2.209729 | < 1/R**2 > | 6.939492 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 10.770449 | .33363180 |
| 2 | 4s | 2.673617 | -.00342670 |
| 3 | 2s | 5.106849 | -.79866110 |
| 4 | 3s | 4.178056 | -.32933971 |
| 5 | 4s | 17.252896 | .01128859 |
| 6 | 3s | 27.083849 | .00236867 |
| 7 | 5s | 29.604271 | .00134578 |
| 8 | 5s | 2.181390 | .00241832 |
| 9 | 2s | 52.470094 | .00007761 |
| 10 | 3s | 1.594464 | -.00337436 |
| ORB.ENERGY,a.u. | -5.537100 | ||
| NORM | 1.000000 | < R > | .619810 | < R2 > | .458547 | < 1/R > | 2.349772 | < 1/R**2 > | 22.811046 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 12.586521 | 1.01574939 |
| 2 | 2s | 17.930586 | -.02458613 |
| 3 | 3s | 8.798765 | .02358681 |
| 4 | 4s | 40.803133 | -.00023264 |
| 5 | 4s | 30.396729 | .00036110 |
| 6 | 2s | 64.271707 | .00003144 |
| 7 | 5s | 10.851004 | -.00896802 |
| 8 | 3s | 4.362071 | .00027675 |
| 9 | 2s | 94.140717 | -.00000058 |
| ORB.ENERGY,a.u. | -58.530000 |
| NORM | 1.000000 | < R > | .120255 | < R2 > | .019458 | < 1/R > | 12.589467 | < 1/R**2 > | 320.138563 |
Total Energy= -241.03070712 a.u.
Kinetic Energy= 241.03070604 a.u.
Potential Energy= -482.06141316 a.u.
Virial Ratio = -2.00000000