(1s 2 2s 2 3s 1 ) 2 S Al 8+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2030.
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 | 3s- electron | |
| 1 | 1s | 10.061155 | .21079555 |
| 2 | 2s | 3.770541 | -1.23915481 |
| 3 | 3s | 3.261595 | 1.81827580 |
| 4 | 4s | 7.361961 | -.06687785 |
| 5 | 5s | 13.325795 | -.01314354 |
| 6 | 4s | 25.994108 | .00064533 |
| 7 | 5s | 3.094615 | -.00324966 |
| 8 | 4s | 2.008665 | .00054671 |
| ORB.ENERGY,a.u. | -5.260700 | ||
| NORM | 1.000000 | < R > | 1.297412 | < R2 > | 1.905115 | < 1/R > | 1.107904 | < 1/R**2 > | 7.338531 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 10.969807 | .38514483 |
| 2 | 2s | 5.231156 | -.78431107 |
| 3 | 3s | 6.591557 | -.29598345 |
| 4 | 5s | 12.450381 | -.01986940 |
| 5 | 4s | 25.673383 | .00322923 |
| 6 | 5s | 4.974645 | -.00588288 |
| 7 | 5s | 37.301161 | -.00057046 |
| 8 | 4s | 2.437629 | -.00027545 |
| ORB.ENERGY,a.u. | -13.586000 | ||
| NORM | 1.000000 | < R > | .525822 | < R2 > | .323356 | < 1/R > | 2.785222 | < 1/R**2 > | 31.288075 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 12.275905 | .94162759 |
| 2 | 1s | 20.209887 | .05623274 |
| 3 | 2s | 13.203216 | .02012373 |
| 4 | 3s | 15.189466 | -.01596105 |
| 5 | 5s | 28.971307 | .00125401 |
| 6 | 4s | 66.808541 | -.00007046 |
| 7 | 5s | 3.497616 | -.00005043 |
| ORB.ENERGY,a.u. | -70.899000 |
| NORM | 1.000000 | < R > | .119046 | < R2 > | .018979 | < 1/R > | 12.669554 | < 1/R**2 > | 323.279420 |
Total Energy= -196.89547845 a.u.
Kinetic Energy= 196.89547167 a.u.
Potential Energy= -393.79095013 a.u.
Virial Ratio = -2.00000003