(1s 2 2s 2 2p 4 5d 1 ) 2 F Al 4+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2352.
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 | 5d- electron | |
| 1 | 3d | 1.336578 | 1.29739859 |
| 2 | 4d | 1.025110 | -5.10418906 |
| 3 | 5d | 1.013705 | 4.53341154 |
| 4 | 3d | 3.135173 | .06591947 |
| 5 | 5d | 4.703210 | -.01593231 |
| 6 | 4d | 8.576737 | .00413311 |
| 7 | 5d | 14.025030 | .00008632 |
| 8 | 3d | 11.753084 | .00078940 |
| ORB.ENERGY,a.u. | -.514870 | ||
| NORM | .999995 | < R > | 6.663521 | < R2 > | 50.527051 | < 1/R > | .212481 | < 1/R**2 > | .098306 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 4.167569 | 1.22661408 |
| 2 | 3p | 4.915727 | -.30099056 |
| 3 | 2p | 9.931237 | .07004001 |
| 4 | 4p | 11.477909 | .01517392 |
| 5 | 5p | 3.237645 | .00029462 |
| 6 | 5p | 30.426847 | -.00014772 |
| ORB.ENERGY,a.u. | -6.694600 | ||
| NORM | 1.000000 | < R > | .537301 | < R2 > | .356245 | < 1/R > | 2.406409 | < 1/R**2 > | 8.041837 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 10.550996 | .36424881 |
| 2 | 2s | 5.234393 | -.84636405 |
| 3 | 3s | 4.511810 | -.30166533 |
| 4 | 4s | 15.714372 | .01021992 |
| 5 | 3s | 17.888982 | .00479754 |
| 6 | 5s | 30.912243 | .00057246 |
| 7 | 5s | 5.118743 | .01341620 |
| 8 | 4s | 1.743452 | .00003698 |
| ORB.ENERGY,a.u. | -7.107500 | ||
| NORM | 1.000000 | < R > | .585258 | < R2 > | .404889 | < 1/R > | 2.487017 | < 1/R**2 > | 25.346817 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 12.252645 | .92402840 |
| 2 | 1s | 18.421640 | .07306993 |
| 3 | 2s | 7.092060 | .02046856 |
| 4 | 3s | 8.763517 | -.02084582 |
| 5 | 4s | 11.100961 | .00993141 |
| 6 | 5s | 30.645872 | .00085626 |
| 7 | 4s | 67.748343 | -.00005580 |
| ORB.ENERGY,a.u. | -60.759000 |
| NORM | 1.000000 | < R > | .120000 | < R2 > | .019354 | < 1/R > | 12.605741 | < 1/R**2 > | 320.770576 |
Total Energy= -230.56551729 a.u.
Kinetic Energy= 230.56244338 a.u.
Potential Energy= -461.12796067 a.u.
Virial Ratio = -2.00001333