(1s 2 2s 2 2p 5 3d 1 ) 1 D Al 3+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1232.
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 | 3d- electron | |
| 1 | 3d | 1.422103 | 1.09128687 |
| 2 | 3d | 4.550232 | .03471092 |
| 3 | 4d | 1.921647 | -.12724190 |
| 4 | 5d | 7.127239 | -.00313999 |
| 5 | 4d | 26.787250 | .00003188 |
| 6 | 5d | 1.371940 | .03131364 |
| ORB.ENERGY,a.u. | -.911780 | ||
| NORM | 1.000000 | < R > | 2.487984 | < R2 > | 7.158773 | < 1/R > | .478788 | < 1/R**2 > | .285787 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 3.776963 | 1.31362281 |
| 2 | 3p | 4.460754 | -.41243945 |
| 3 | 2p | 9.383958 | .09420398 |
| 4 | 4p | 11.035090 | .01946674 |
| 5 | 3p | 21.993774 | .00006743 |
| 6 | 5p | 2.631118 | .01512494 |
| 7 | 4p | 2.351852 | -.01682926 |
| 8 | 5p | 35.331656 | -.00008596 |
| ORB.ENERGY,a.u. | -5.016400 | ||
| NORM | 1.000000 | < R > | .566132 | < R2 > | .399406 | < 1/R > | 2.308265 | < 1/R**2 > | 7.480837 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 10.641790 | .34927199 |
| 2 | 2s | 5.139941 | -.82788833 |
| 3 | 3s | 4.355314 | -.30221392 |
| 4 | 4s | 16.525200 | .00552049 |
| 5 | 3s | 15.555234 | .00649187 |
| 6 | 5s | 33.443375 | .00032219 |
| 7 | 5s | 3.386329 | -.00164657 |
| ORB.ENERGY,a.u. | -6.075600 | ||
| NORM | 1.000000 | < R > | .602466 | < R2 > | .431025 | < 1/R > | 2.415911 | < 1/R**2 > | 24.016265 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 12.197340 | .91350294 |
| 2 | 1s | 18.071265 | .08416060 |
| 3 | 2s | 6.987397 | .01939112 |
| 4 | 3s | 8.839685 | -.02058416 |
| 5 | 4s | 11.210900 | .01067717 |
| 6 | 5s | 31.133685 | .00096926 |
| 7 | 4s | 73.007106 | -.00003791 |
| ORB.ENERGY,a.u. | -59.102000 |
| NORM | 1.000000 | < R > | .120143 | < R2 > | .019412 | < 1/R > | 12.596592 | < 1/R**2 > | 320.415320 |
Total Energy= -236.56826862 a.u.
Kinetic Energy= 236.55467216 a.u.
Potential Energy= -473.12294079 a.u.
Virial Ratio = -2.00005748