(1s 2 2s 2 2p 4 5d 1 ) 2 D Cl 8+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2252.
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 | 2.329927 | 1.48051678 |
| 2 | 4d | 1.814812 | -5.57772393 |
| 3 | 5d | 1.803696 | 4.87757790 |
| 4 | 3d | 6.099420 | .03250497 |
| 5 | 5d | 9.145910 | -.00947602 |
| 6 | 4d | 19.238952 | .00031382 |
| 7 | 5d | 1.446570 | -.01991333 |
| 8 | 3d | 25.548861 | .00007777 |
| ORB.ENERGY,a.u. | -1.645600 | ||
| NORM | .999999 | < R > | 3.762784 | < R2 > | 16.090322 | < 1/R > | .371889 | < 1/R**2 > | .288699 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 6.022067 | 1.14315800 |
| 2 | 3p | 6.842595 | -.21916110 |
| 3 | 2p | 12.795460 | .07518526 |
| 4 | 4p | 15.091012 | .01234804 |
| 5 | 5p | 42.521963 | -.00012196 |
| 6 | 5p | 6.898430 | -.00581857 |
| ORB.ENERGY,a.u. | -16.259000 | ||
| NORM | 1.000000 | < R > | .374061 | < R2 > | .171075 | < 1/R > | 3.418836 | < 1/R**2 > | 16.025500 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 13.491653 | .40545166 |
| 2 | 2s | 7.282519 | -.85584695 |
| 3 | 3s | 6.745725 | -.30038786 |
| 4 | 4s | 18.019303 | .00573683 |
| 5 | 3s | 19.622734 | .00835265 |
| 6 | 5s | 37.168639 | .00056698 |
| 7 | 5s | 5.510131 | -.00241879 |
| 8 | 4s | 3.903422 | .00074572 |
| 9 | 2s | 98.205750 | .00000478 |
| ORB.ENERGY,a.u. | -16.930000 | ||
| NORM | 1.000000 | < R > | .420711 | < R2 > | .208174 | < 1/R > | 3.482198 | < 1/R**2 > | 49.508368 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 16.159814 | .92045486 |
| 2 | 1s | 23.358043 | .07584518 |
| 3 | 2s | 10.413109 | .02023261 |
| 4 | 3s | 12.728126 | -.02016782 |
| 5 | 4s | 15.490178 | .00891884 |
| 6 | 5s | 41.294886 | .00080975 |
| 7 | 4s | 102.932853 | -.00002561 |
| ORB.ENERGY,a.u. | -112.130000 |
| NORM | 1.000000 | < R > | .091029 | < R2 > | .011120 | < 1/R > | 16.590366 | < 1/R**2 > | 554.567798 |
Total Energy= -419.01047898 a.u.
Kinetic Energy= 418.98332128 a.u.
Potential Energy= -837.99380025 a.u.
Virial Ratio = -2.00006482