(1s 2 2s 2 ) 3 S Al 9+
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 | 10.961042 | .38653429 |
| 2 | 2s | 5.239210 | -.78318872 |
| 3 | 3s | 6.520494 | -.29168538 |
| 4 | 5s | 11.839879 | -.02400376 |
| 5 | 4s | 23.119571 | .00163369 |
| 6 | 5s | 16.167932 | -.00605629 |
| 7 | 2s | 32.214557 | -.00005928 |
| ORB.ENERGY,a.u. | -14.491000 | ||
| NORM | 1.000000 | < R > | .524235 | < R2 > | .321079 | < 1/R > | 2.792450 | < 1/R**2 > | 31.427237 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 12.436816 | .94262085 |
| 2 | 1s | 20.530885 | .04594141 |
| 3 | 2s | 15.875247 | .01502753 |
| 4 | 3s | 13.858788 | .00150052 |
| 5 | 4s | 50.238578 | -.00063658 |
| 6 | 5s | 66.433206 | .00023722 |
| 7 | 5s | 14.313296 | .00140822 |
| ORB.ENERGY,a.u. | -71.915000 |
| NORM | 1.000000 | < R > | .119020 | < R2 > | .018969 | < 1/R > | 12.671553 | < 1/R**2 > | 323.364640 |
Total Energy= -191.64399613 a.u.
Kinetic Energy= 191.64399795 a.u.
Potential Energy= -383.28799408 a.u.
Virial Ratio = -1.99999999