(1s 1 2s 1 ) 3 S Al 11+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3020.
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 | 10.113411 | .47859641 |
| 2 | 2s | 5.980128 | -.87992926 |
| 3 | 3s | 7.232677 | -.29485502 |
| 4 | 4s | 16.338073 | .00386638 |
| 5 | 5s | 7.137647 | -.01021127 |
| ORB.ENERGY,a.u. | -18.969000 | ||
| NORM | 1.000000 | < R > | .482270 | < R2 > | .271001 | < 1/R > | 3.055013 | < 1/R**2 > | 37.041837 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 12.757947 | .88927275 |
| 2 | 1s | 15.406423 | .10548342 |
| 3 | 2s | 15.255776 | .01065207 |
| 4 | 3s | 14.620982 | -.00495177 |
| 5 | 4s | 35.227586 | .00013524 |
| 6 | 5s | 9.836742 | -.00002622 |
| ORB.ENERGY,a.u. | -82.344000 |
| NORM | 1.000000 | < R > | .115332 | < R2 > | .017739 | < 1/R > | 13.007020 | < 1/R**2 > | 338.342499 |
Total Energy= -103.10182408 a.u.
Kinetic Energy= 103.22784338 a.u.
Potential Energy= -206.32966746 a.u.
Virial Ratio = -1.99877921