(1s 2 2s 2 2p 1 3d 1 ) 1 P Al 7+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1132.
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 | 2.652326 | 1.05659667 |
| 2 | 3d | 6.405729 | .02533731 |
| 3 | 4d | 3.040792 | -.05576343 |
| 4 | 5d | 8.344380 | -.00429679 |
| 5 | 4d | 13.933271 | -.00062482 |
| 6 | 5d | 2.753681 | -.01555556 |
| ORB.ENERGY,a.u. | -3.574300 | ||
| NORM | 1.000000 | < R > | 1.289610 | < R2 > | 1.909408 | < 1/R > | .911480 | < 1/R**2 > | 1.009410 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 5.195288 | 1.08363818 |
| 2 | 3p | 6.363009 | -.10175130 |
| 3 | 2p | 12.280040 | .01852129 |
| 4 | 5p | 14.134982 | .00219016 |
| 5 | 4p | 24.858216 | -.00088073 |
| 6 | 5p | 4.999990 | .01008273 |
| 7 | 5p | 74.165069 | -.00002068 |
| 8 | 4p | 4.070557 | -.00555312 |
| ORB.ENERGY,a.u. | -11.079000 | ||
| NORM | 1.000000 | < R > | .470287 | < R2 > | .268079 | < 1/R > | 2.692320 | < 1/R**2 > | 9.831459 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 11.349902 | .35498665 |
| 2 | 2s | 4.721664 | -.80016675 |
| 3 | 3s | 7.028682 | -.27758275 |
| 4 | 4s | 24.603975 | .00138899 |
| 5 | 5s | 13.727993 | -.01311701 |
| 6 | 5s | 5.360670 | .01496250 |
| ORB.ENERGY,a.u. | -11.507000 | ||
| NORM | 1.000000 | < R > | .540797 | < R2 > | .342832 | < 1/R > | 2.702291 | < 1/R**2 > | 29.581231 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 12.172314 | .92267411 |
| 2 | 1s | 18.734757 | .07849334 |
| 3 | 2s | 10.662296 | .01826032 |
| 4 | 3s | 13.412737 | -.01677786 |
| 5 | 4s | 63.413703 | -.00007259 |
| 6 | 5s | 30.372076 | .00083052 |
| 7 | 4s | 5.048629 | .00004116 |
| ORB.ENERGY,a.u. | -67.248000 |
| NORM | 1.000000 | < R > | .119330 | < R2 > | .019089 | < 1/R > | 12.650352 | < 1/R**2 > | 322.524238 |
Total Energy= -207.45687640 a.u.
Kinetic Energy= 207.34401366 a.u.
Potential Energy= -414.80089006 a.u.
Virial Ratio = -2.00054433