(1s 2 2s 2 2p 2 4d 1 ) 2 P Al 6+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2142.
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 | 4d- electron | |
| 1 | 3d | 2.108983 | 1.29166246 |
| 2 | 4d | 1.775974 | -1.80419430 |
| 3 | 3d | 5.763610 | .02976159 |
| 4 | 5d | 3.243424 | -.06171467 |
| 5 | 4d | 1.984446 | .06836012 |
| 6 | 5d | 50.553022 | .00001187 |
| ORB.ENERGY,a.u. | -1.592200 | ||
| NORM | 1.000001 | < R > | 2.862808 | < R2 > | 9.401057 | < 1/R > | .466499 | < 1/R**2 > | .363769 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 4.813168 | 1.18939844 |
| 2 | 3p | 5.719497 | -.21368541 |
| 3 | 2p | 12.802957 | .02034111 |
| 4 | 4p | 15.149530 | .00759594 |
| 5 | 5p | 1.568408 | -.00009323 |
| 6 | 5p | 21.938225 | -.00165663 |
| 7 | 4p | 60.198928 | .00003094 |
| ORB.ENERGY,a.u. | -9.975500 | ||
| NORM | 1.000000 | < R > | .491217 | < R2 > | .293922 | < 1/R > | 2.592935 | < 1/R**2 > | 9.182355 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 10.518100 | .38758609 |
| 2 | 2s | 5.410757 | -.83543435 |
| 3 | 3s | 5.630775 | -.27296446 |
| 4 | 4s | 21.041654 | .00250809 |
| 5 | 3s | 12.816931 | .01541202 |
| 6 | 5s | 5.591594 | -.03752344 |
| ORB.ENERGY,a.u. | -9.388200 | ||
| NORM | 1.000000 | < R > | .554050 | < R2 > | .360503 | < 1/R > | 2.632767 | < 1/R**2 > | 28.181786 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 12.159672 | .91996104 |
| 2 | 1s | 18.805726 | .07951484 |
| 3 | 2s | 11.305501 | .01918530 |
| 4 | 3s | 14.396938 | -.01548837 |
| 5 | 5s | 30.686643 | .00111378 |
| 6 | 4s | 73.308637 | -.00004121 |
| 7 | 5s | 9.707108 | .00057537 |
| ORB.ENERGY,a.u. | -64.512000 |
| NORM | 1.000000 | < R > | .119592 | < R2 > | .019192 | < 1/R > | 12.632614 | < 1/R**2 > | 321.823721 |
Total Energy= -215.81897235 a.u.
Kinetic Energy= 215.82266482 a.u.
Potential Energy= -431.64163717 a.u.
Virial Ratio = -1.99998289