(1s 1 2s 1 ) 1 S Al 11+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1020.
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 | 2s- electron | |
| 1 | 1s | 4.284408 | .61440780 |
| 2 | 2s | 5.517775 | -1.14976161 |
| 3 | 3s | 7.940360 | -.44650068 |
| 4 | 4s | 9.386926 | .03807433 |
| 5 | 5s | 16.761698 | -.00689224 |
| 6 | 5s | 4.484727 | -.00199496 |
| 7 | 3s | 39.006306 | -.00007718 |
| ORB.ENERGY,a.u. | -18.898000 | ||
| NORM | 1.000000 | < R > | .484712 | < R2 > | .268527 | < 1/R > | 2.440072 | < 1/R**2 > | 9.930378 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 13.205980 | 1.02206530 |
| 2 | 2s | 14.952146 | .02021507 |
| 3 | 3s | 7.327606 | -.22111861 |
| 4 | 4s | 26.865932 | .00082906 |
| 5 | 5s | 9.919263 | .02335054 |
| 6 | 4s | 5.997217 | -.00864993 |
| 7 | 3s | 41.584479 | .00006651 |
| ORB.ENERGY,a.u. | -82.273000 |
| NORM | 1.000000 | < R > | .113836 | < R2 > | .021151 | < 1/R > | 13.616015 | < 1/R**2 > | 365.335536 |
Total Energy= -103.20969873 a.u.
Kinetic Energy= 103.15838625 a.u.
Potential Energy= -206.36808498 a.u.
Virial Ratio = -2.00049741