(1s 2 2s 2 2p 4 5d 1 ) 4 P Cl 8+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4152.
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 | 2.475108 | 1.20068382 |
| 2 | 4d | 1.824103 | -5.11442178 |
| 3 | 5d | 1.820302 | 4.67278882 |
| 4 | 3d | 5.927150 | .05881700 |
| 5 | 5d | 8.841693 | -.01243422 |
| 6 | 4d | 19.417558 | .00018599 |
| 7 | 5d | 1.430207 | -.01572855 |
| 8 | 3d | 24.530502 | .00007651 |
| ORB.ENERGY,a.u. | -1.670200 | ||
| NORM | 1.000000 | < R > | 3.701562 | < R2 > | 15.574355 | < 1/R > | .379937 | < 1/R**2 > | .308592 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 6.034191 | 1.13328256 |
| 2 | 3p | 6.800701 | -.21242894 |
| 3 | 2p | 12.927555 | .07384351 |
| 4 | 4p | 15.208828 | .01536621 |
| 5 | 5p | 17.815269 | -.00128370 |
| 6 | 5p | 5.770366 | -.00168331 |
| 7 | 4p | 66.878140 | .00002511 |
| ORB.ENERGY,a.u. | -16.283000 | ||
| NORM | 1.000000 | < R > | .374187 | < R2 > | .171187 | < 1/R > | 3.417815 | < 1/R**2 > | 16.017037 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 13.490800 | .40548019 |
| 2 | 2s | 7.286314 | -.85563421 |
| 3 | 3s | 6.762794 | -.30003665 |
| 4 | 4s | 17.741643 | .00674628 |
| 5 | 3s | 20.102947 | .00808205 |
| 6 | 5s | 36.034060 | .00061359 |
| 7 | 5s | 6.421430 | -.00317577 |
| 8 | 2s | 89.299626 | .00000740 |
| ORB.ENERGY,a.u. | -16.930000 | ||
| NORM | 1.000000 | < R > | .420718 | < R2 > | .208181 | < 1/R > | 3.482123 | < 1/R**2 > | 49.506135 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 16.159814 | .92045638 |
| 2 | 1s | 23.358574 | .07584359 |
| 3 | 2s | 10.415237 | .02022800 |
| 4 | 3s | 12.729587 | -.02016560 |
| 5 | 4s | 15.489548 | .00891902 |
| 6 | 5s | 41.326182 | .00081066 |
| 7 | 4s | 103.010279 | -.00002506 |
| ORB.ENERGY,a.u. | -112.130000 |
| NORM | 1.000000 | < R > | .091028 | < R2 > | .011120 | < 1/R > | 16.590417 | < 1/R**2 > | 554.570505 |
Total Energy= -419.01187708 a.u.
Kinetic Energy= 419.00799239 a.u.
Potential Energy= -838.01986947 a.u.
Virial Ratio = -2.00000927