(1s 2 2s 2 2p 2 3d 1 ) 2 P Al 6+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2132.
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 | 2.447456 | 1.11724686 |
| 2 | 3d | 5.921303 | .03204800 |
| 3 | 4d | 2.913479 | -.13616452 |
| 4 | 5d | 19.798081 | -.00003810 |
| 5 | 4d | 35.675172 | .00001895 |
| ORB.ENERGY,a.u. | -2.861600 | ||
| NORM | 1.000000 | < R > | 1.392488 | < R2 > | 2.238578 | < 1/R > | .850252 | < 1/R**2 > | .886525 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 4.778491 | 1.19359122 |
| 2 | 3p | 5.657990 | -.22260265 |
| 3 | 2p | 12.104486 | .02470806 |
| 4 | 4p | 13.192971 | .00610748 |
| 5 | 5p | 27.958571 | -.00030399 |
| 6 | 5p | 3.781757 | .00139796 |
| ORB.ENERGY,a.u. | -9.572000 | ||
| NORM | 1.000000 | < R > | .492808 | < R2 > | .296165 | < 1/R > | 2.587005 | < 1/R**2 > | 9.147447 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 10.513765 | .38695800 |
| 2 | 2s | 5.410159 | -.83526824 |
| 3 | 3s | 5.599969 | -.27308116 |
| 4 | 4s | 20.988488 | .00252322 |
| 5 | 3s | 12.852774 | .01522977 |
| 6 | 5s | 5.454254 | -.03870585 |
| 7 | 4s | 2.602052 | -.00020087 |
| ORB.ENERGY,a.u. | -9.388200 | ||
| NORM | 1.000000 | < R > | .555509 | < R2 > | .362710 | < 1/R > | 2.626623 | < 1/R**2 > | 28.063899 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 12.159821 | .91996172 |
| 2 | 1s | 18.806186 | .07951199 |
| 3 | 2s | 11.313249 | .01917977 |
| 4 | 3s | 14.397946 | -.01548759 |
| 5 | 5s | 30.702336 | .00111339 |
| 6 | 4s | 73.246326 | -.00004090 |
| 7 | 5s | 9.669349 | .00058292 |
| ORB.ENERGY,a.u. | -64.512000 |
| NORM | 1.000000 | < R > | .119590 | < R2 > | .019191 | < 1/R > | 12.632827 | < 1/R**2 > | 321.832626 |
Total Energy= -217.07746992 a.u.
Kinetic Energy= 217.09225401 a.u.
Potential Energy= -434.16972393 a.u.
Virial Ratio = -1.99993190