(1s 1 4p 1 ) 3 P Al 11+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3141.
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 | 4p- electron | |
| 1 | 2p | 6.013205 | .42643606 |
| 2 | 3p | 2.736929 | -1.02352515 |
| 3 | 5p | 3.198046 | 1.91748460 |
| 4 | 4p | 4.499425 | -.62397748 |
| 5 | 5p | 8.832848 | .01552406 |
| 6 | 4p | 19.180373 | -.00178032 |
| 7 | 5p | 2.569165 | .04408037 |
| 8 | 5p | 2.569138 | .00001158 |
| 9 | 3p | 28.595231 | -.00015501 |
| ORB.ENERGY,a.u. | -4.725100 | ||
| NORM | 1.000000 | < R > | 1.903249 | < R2 > | 4.108904 | < 1/R > | .756643 | < 1/R**2 > | 1.545173 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 12.746742 | .88949792 |
| 2 | 1s | 15.373523 | .10581810 |
| 3 | 2s | 15.545889 | .00888066 |
| 4 | 3s | 11.592047 | -.00563631 |
| 5 | 4s | 14.843630 | .00088781 |
| 6 | 5s | 13.655437 | .00117521 |
| ORB.ENERGY,a.u. | -83.944000 |
| NORM | 1.000000 | < R > | .115430 | < R2 > | .017767 | < 1/R > | 12.996179 | < 1/R**2 > | 337.836732 |
Total Energy= -89.02026193 a.u.
Kinetic Energy= 89.03077143 a.u.
Potential Energy= -178.05103336 a.u.
Virial Ratio = -1.99988196