(1s 2 2s 2 2p 4 ) 3 P Al 5+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3121.
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 | 2p- electron | |
| 1 | 2p | 4.562754 | 1.46794527 |
| 2 | 3p | 6.021797 | -.57717203 |
| 3 | 4p | 7.578560 | .10020281 |
| 4 | 5p | 3.702243 | .02155571 |
| 5 | 4p | 20.112965 | -.00249708 |
| 6 | 3p | 24.770151 | -.00053590 |
| 7 | 5p | 3.153827 | -.01045766 |
| 8 | 3p | 1.863649 | .00195078 |
| ORB.ENERGY,a.u. | -6.930200 | ||
| NORM | 1.000000 | < R > | .536979 | < R2 > | .355740 | < 1/R > | 2.407368 | < 1/R**2 > | 8.046938 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 10.531635 | .36538612 |
| 2 | 2s | 5.109382 | -.90537961 |
| 3 | 3s | 4.487165 | -.22043704 |
| 4 | 4s | 21.380411 | .00222309 |
| 5 | 3s | 12.531251 | .01550130 |
| 6 | 5s | 6.147978 | -.00957549 |
| ORB.ENERGY,a.u. | -8.212200 | ||
| NORM | 1.000000 | < R > | .585001 | < R2 > | .404480 | < 1/R > | 2.487982 | < 1/R**2 > | 25.364524 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 12.159439 | .91979874 |
| 2 | 1s | 18.657434 | .07951072 |
| 3 | 2s | 10.112214 | .01829659 |
| 4 | 3s | 15.118360 | -.01503459 |
| 5 | 4s | 23.418597 | .00324624 |
| 6 | 5s | 43.032440 | .00014545 |
| 7 | 5s | 8.259793 | .00067371 |
| ORB.ENERGY,a.u. | -62.564000 |
| NORM | 1.000000 | < R > | .120001 | < R2 > | .019354 | < 1/R > | 12.605684 | < 1/R**2 > | 320.768248 |
Total Energy= -230.04754313 a.u.
Kinetic Energy= 230.04754623 a.u.
Potential Energy= -460.09508935 a.u.
Virial Ratio = -1.99999999