(1s 2 2s 2 2p 4 5p 1 ) 2 P Al 4+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2151.
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 | 5p- electron | |
| 1 | 2p | 2.972238 | .18746927 |
| 2 | 3p | 1.407107 | -1.95378331 |
| 3 | 4p | 1.222053 | 4.24307828 |
| 4 | 5p | 1.064604 | -3.01104435 |
| 5 | 5p | 19.395868 | -.00064450 |
| 6 | 4p | 28.498331 | -.00022487 |
| 7 | 2p | .765962 | -.05555226 |
| 8 | 2p | 7.401816 | .03496630 |
| ORB.ENERGY,a.u. | -.572680 | ||
| NORM | 1.000005 | < R > | 6.373865 | < R2 > | 45.658351 | < 1/R > | .217737 | < 1/R**2 > | .151859 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 4.142100 | 1.05223483 |
| 2 | 3p | 4.795706 | -.17874227 |
| 3 | 2p | 7.977905 | .15887424 |
| 4 | 4p | 11.861110 | -.00676530 |
| 5 | 5p | 1.423649 | .05596370 |
| 6 | 4p | 1.085529 | -.05203808 |
| 7 | 3p | 14.019693 | -.00821043 |
| 8 | 5p | 29.730954 | -.00020391 |
| 9 | 3p | .665649 | -.00481843 |
| ORB.ENERGY,a.u. | -6.680300 | ||
| NORM | 1.000000 | < R > | .536924 | < R2 > | .358576 | < 1/R > | 2.408445 | < 1/R**2 > | 8.051844 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 10.573897 | .36301421 |
| 2 | 2s | 5.223000 | -.84263994 |
| 3 | 3s | 4.565653 | -.29859204 |
| 4 | 4s | 15.828002 | .00744074 |
| 5 | 3s | 16.143168 | .00646515 |
| 6 | 5s | 31.956173 | .00044438 |
| 7 | 5s | 5.487843 | .00832705 |
| ORB.ENERGY,a.u. | -7.107500 | ||
| NORM | 1.000000 | < R > | .585309 | < R2 > | .404946 | < 1/R > | 2.486704 | < 1/R**2 > | 25.340480 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 12.252346 | .92403185 |
| 2 | 1s | 18.422298 | .07306902 |
| 3 | 2s | 7.088240 | .02048717 |
| 4 | 3s | 8.755516 | -.02086561 |
| 5 | 4s | 11.089649 | .00995192 |
| 6 | 5s | 30.533242 | .00084773 |
| 7 | 4s | 67.882949 | -.00005802 |
| ORB.ENERGY,a.u. | -60.759000 |
| NORM | 1.000000 | < R > | .120005 | < R2 > | .019355 | < 1/R > | 12.605420 | < 1/R**2 > | 320.757812 |
Total Energy= -230.63137454 a.u.
Kinetic Energy= 230.62013710 a.u.
Potential Energy= -461.25151164 a.u.
Virial Ratio = -2.00004873