(1s 2 2s 2 2p 1 3p 1 ) 1 D Al 7+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1231.
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 | 3p- electron | |
| 1 | 2p | 2.545155 | .91268384 |
| 2 | 3p | 2.887576 | -1.85658749 |
| 3 | 2p | 8.382441 | .02408375 |
| 4 | 4p | 6.439141 | .03135967 |
| 5 | 5p | 16.237191 | .00145535 |
| 6 | 5p | 2.596322 | -.00746894 |
| ORB.ENERGY,a.u. | -4.078400 | ||
| NORM | 1.000000 | < R > | 1.384054 | < R2 > | 2.118083 | < 1/R > | .818869 | < 1/R**2 > | .868201 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 5.092735 | 1.03390315 |
| 2 | 3p | 2.675404 | -.30434021 |
| 3 | 2p | 9.276655 | .08650209 |
| 4 | 5p | 11.240136 | .00845367 |
| 5 | 4p | 20.961936 | -.00278680 |
| 6 | 5p | 2.715389 | .03523699 |
| 7 | 3p | 2.050997 | -.02062341 |
| 8 | 3p | 24.866009 | -.00069364 |
| ORB.ENERGY,a.u. | -11.298000 | ||
| NORM | 1.000000 | < R > | .451365 | < R2 > | .278114 | < 1/R > | 2.864777 | < 1/R**2 > | 10.994502 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 11.344268 | .35490300 |
| 2 | 2s | 4.724730 | -.80102817 |
| 3 | 3s | 6.980849 | -.27789900 |
| 4 | 4s | 24.763335 | .00132237 |
| 5 | 5s | 13.714125 | -.01308181 |
| 6 | 5s | 5.563391 | .01632233 |
| ORB.ENERGY,a.u. | -11.507000 | ||
| NORM | 1.000000 | < R > | .541235 | < R2 > | .343367 | < 1/R > | 2.699694 | < 1/R**2 > | 29.529344 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 12.169086 | .92384049 |
| 2 | 1s | 18.829621 | .07733357 |
| 3 | 2s | 10.910490 | .01808901 |
| 4 | 3s | 13.759333 | -.01658716 |
| 5 | 4s | 65.958319 | -.00006443 |
| 6 | 5s | 30.052992 | .00094416 |
| ORB.ENERGY,a.u. | -67.248000 |
| NORM | 1.000000 | < R > | .119381 | < R2 > | .019108 | < 1/R > | 12.646597 | < 1/R**2 > | 322.372399 |
Total Energy= -207.86673911 a.u.
Kinetic Energy= 207.84578879 a.u.
Potential Energy= -415.71252790 a.u.
Virial Ratio = -2.00010080