(1s 2 2s 2 2p 5 3d 1 ) 3 D Al 3+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3232.
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 | 1.367262 | 1.05472265 |
| 2 | 3d | 3.362045 | .05810884 |
| 3 | 4d | 1.620263 | -.07931472 |
| 4 | 5d | 4.540643 | -.01344211 |
| 5 | 4d | 8.209069 | .00458363 |
| 6 | 3d | 11.014301 | .00096145 |
| ORB.ENERGY,a.u. | -.911780 | ||
| NORM | 1.000000 | < R > | 2.487981 | < R2 > | 7.158736 | < 1/R > | .478788 | < 1/R**2 > | .285787 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 3.776999 | 1.31333032 |
| 2 | 3p | 4.460011 | -.41227669 |
| 3 | 2p | 9.384460 | .09421823 |
| 4 | 4p | 11.037560 | .01948803 |
| 5 | 3p | 21.925922 | .00006980 |
| 6 | 5p | 2.613927 | .01491281 |
| 7 | 4p | 2.332737 | -.01650123 |
| 8 | 5p | 35.368971 | -.00008545 |
| ORB.ENERGY,a.u. | -5.016400 | ||
| NORM | 1.000000 | < R > | .566132 | < R2 > | .399406 | < 1/R > | 2.308266 | < 1/R**2 > | 7.480839 |
| 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= -236.56827010 a.u.
Kinetic Energy= 236.55468796 a.u.
Potential Energy= -473.12295807 a.u.
Virial Ratio = -2.00005742