(1s 2 2s 2 2p 1 3d 1 ) 3 F Al 7+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3332.
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 | 2.792495 | 1.09198521 |
| 2 | 3d | 5.908958 | .04536561 |
| 3 | 4d | 3.237833 | -.12327779 |
| 4 | 5d | 17.357840 | -.00049049 |
| 5 | 4d | 21.008974 | -.00009333 |
| ORB.ENERGY,a.u. | -3.748300 | ||
| NORM | 1.000000 | < R > | 1.209365 | < R2 > | 1.689543 | < 1/R > | .978929 | < 1/R**2 > | 1.173070 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 5.130516 | 1.09271380 |
| 2 | 3p | 6.493695 | -.12155710 |
| 3 | 2p | 11.414184 | .02276590 |
| 4 | 5p | 12.950840 | .00544249 |
| 5 | 4p | 23.853634 | -.00117273 |
| 6 | 5p | 4.744021 | .01372309 |
| 7 | 3p | 31.087684 | -.00015510 |
| ORB.ENERGY,a.u. | -11.253000 | ||
| NORM | 1.000000 | < R > | .478623 | < R2 > | .278868 | < 1/R > | 2.656020 | < 1/R**2 > | 9.603266 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 11.355904 | .35447311 |
| 2 | 2s | 4.714919 | -.79971475 |
| 3 | 3s | 7.039494 | -.27719382 |
| 4 | 4s | 24.656477 | .00134302 |
| 5 | 5s | 13.758971 | -.01331442 |
| 6 | 5s | 5.324159 | .01439372 |
| ORB.ENERGY,a.u. | -11.507000 | ||
| NORM | 1.000000 | < R > | .541150 | < R2 > | .343334 | < 1/R > | 2.700553 | < 1/R**2 > | 29.545014 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 12.175740 | .92364550 |
| 2 | 1s | 18.805885 | .07736324 |
| 3 | 2s | 11.015413 | .01787013 |
| 4 | 3s | 13.747276 | -.01641986 |
| 5 | 4s | 68.593832 | -.00005516 |
| 6 | 5s | 30.180228 | .00103524 |
| 7 | 5s | 7.806692 | .00010605 |
| ORB.ENERGY,a.u. | -67.248000 |
| NORM | 1.000000 | < R > | .119322 | < R2 > | .019086 | < 1/R > | 12.650962 | < 1/R**2 > | 322.548981 |
Total Energy= -207.46144969 a.u.
Kinetic Energy= 207.51823493 a.u.
Potential Energy= -414.97968462 a.u.
Virial Ratio = -1.99972636