(1s 2 2s 1 5d 1 ) 3 D Al 9+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3252.
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 | 5d- electron | |
| 1 | 3d | 1.971038 | 3.55834623 |
| 2 | 4d | 2.001684 | -9.05996911 |
| 3 | 5d | 2.019497 | 6.12754707 |
| 4 | 3d | 4.153461 | .03787940 |
| 5 | 5d | 29.624817 | .00000732 |
| 6 | 5d | 1.734077 | .03097773 |
| 7 | 4d | 9.030010 | .00480223 |
| 8 | 3d | 14.713957 | .00054364 |
| ORB.ENERGY,a.u. | -2.023400 | ||
| NORM | .999997 | < R > | 3.408266 | < R2 > | 13.176810 | < 1/R > | .405996 | < 1/R**2 > | .334202 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 10.694606 | .41390505 |
| 2 | 2s | 5.540882 | -.79784483 |
| 3 | 3s | 6.539615 | -.30449717 |
| 4 | 5s | 11.191335 | -.02513898 |
| 5 | 4s | 22.285772 | .00849648 |
| 6 | 5s | 29.255103 | -.00228549 |
| 7 | 4s | 76.258164 | .00003107 |
| ORB.ENERGY,a.u. | -15.841000 | ||
| NORM | 1.000000 | < R > | .511912 | < R2 > | .305597 | < 1/R > | 2.872693 | < 1/R**2 > | 33.276974 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 12.434463 | .94074163 |
| 2 | 1s | 20.112939 | .04861925 |
| 3 | 2s | 15.201222 | .01479169 |
| 4 | 3s | 9.772062 | .00206233 |
| 5 | 4s | 50.962749 | -.00056381 |
| 6 | 5s | 67.565006 | .00020804 |
| 7 | 5s | 6.783663 | .00016370 |
| ORB.ENERGY,a.u. | -71.915000 |
| NORM | 1.000000 | < R > | .118988 | < R2 > | .018961 | < 1/R > | 12.675497 | < 1/R**2 > | 323.556233 |
Total Energy= -179.25003020 a.u.
Kinetic Energy= 179.20942864 a.u.
Potential Energy= -358.45945884 a.u.
Virial Ratio = -2.00022656