(1s 2 2s 2 2p 2 4d 1 ) 2 D Al 6+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2242.
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 | 1.939370 | 1.49277144 |
| 2 | 4d | 1.736573 | -1.99586046 |
| 3 | 3d | 5.200482 | .02996979 |
| 4 | 5d | 16.004626 | .00002730 |
| 5 | 5d | 7.243015 | -.00907107 |
| 6 | 5d | 1.540334 | .00839072 |
| 7 | 3d | 16.095904 | .00012820 |
| ORB.ENERGY,a.u. | -1.541500 | ||
| NORM | 1.000000 | < R > | 2.963201 | < R2 > | 10.069661 | < 1/R > | .448879 | < 1/R**2 > | .331815 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 4.839774 | 1.18391439 |
| 2 | 3p | 5.780038 | -.20665860 |
| 3 | 2p | 12.950157 | .01910239 |
| 4 | 4p | 15.098211 | .00714137 |
| 5 | 5p | 21.742108 | -.00149572 |
| 6 | 5p | 2.904418 | .00065760 |
| 7 | 4p | 57.881528 | .00003424 |
| ORB.ENERGY,a.u. | -9.924800 | ||
| NORM | 1.000000 | < R > | .490357 | < R2 > | .292852 | < 1/R > | 2.596817 | < 1/R**2 > | 9.206924 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 10.520505 | .38749238 |
| 2 | 2s | 5.408616 | -.83552514 |
| 3 | 3s | 5.633127 | -.27289373 |
| 4 | 4s | 21.044017 | .00251026 |
| 5 | 3s | 12.818341 | .01536079 |
| 6 | 5s | 5.582833 | -.03724879 |
| ORB.ENERGY,a.u. | -9.388200 | ||
| NORM | 1.000000 | < R > | .554005 | < R2 > | .360441 | < 1/R > | 2.633011 | < 1/R**2 > | 28.187082 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 12.159524 | .91996351 |
| 2 | 1s | 18.806186 | .07951408 |
| 3 | 2s | 11.302885 | .01918701 |
| 4 | 3s | 14.397800 | -.01548793 |
| 5 | 5s | 30.685502 | .00111357 |
| 6 | 4s | 73.308031 | -.00004098 |
| 7 | 5s | 9.719468 | .00057399 |
| ORB.ENERGY,a.u. | -64.512000 |
| NORM | 1.000000 | < R > | .119594 | < R2 > | .019192 | < 1/R > | 12.632482 | < 1/R**2 > | 321.818375 |
Total Energy= -215.81628635 a.u.
Kinetic Energy= 215.77193994 a.u.
Potential Energy= -431.58822629 a.u.
Virial Ratio = -2.00020552