(1s 2 2s 2 2p 4 5d 1 ) 2 F Cl 8+
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 | 2.461504 | 1.22662506 |
| 2 | 4d | 1.826054 | -5.11757783 |
| 3 | 5d | 1.818163 | 4.65307012 |
| 4 | 3d | 5.894883 | .05574120 |
| 5 | 5d | 8.869075 | -.01260797 |
| 6 | 4d | 18.780492 | .00031386 |
| 7 | 5d | 1.441943 | -.01821420 |
| 8 | 3d | 25.549110 | .00007588 |
| ORB.ENERGY,a.u. | -1.667700 | ||
| NORM | 1.000000 | < R > | 3.708547 | < R2 > | 15.631667 | < 1/R > | .378842 | < 1/R**2 > | .305652 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 6.031471 | 1.13418213 |
| 2 | 3p | 6.788723 | -.21292309 |
| 3 | 2p | 12.950932 | .07359313 |
| 4 | 4p | 15.390843 | .01520715 |
| 5 | 5p | 18.967442 | -.00112491 |
| 6 | 4p | 5.046399 | -.00182172 |
| 7 | 4p | 65.269700 | .00002891 |
| ORB.ENERGY,a.u. | -16.281000 | ||
| NORM | 1.000000 | < R > | .374169 | < R2 > | .171171 | < 1/R > | 3.417974 | < 1/R**2 > | 16.018371 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 13.490449 | .40549742 |
| 2 | 2s | 7.286615 | -.85558290 |
| 3 | 3s | 6.762930 | -.30010138 |
| 4 | 4s | 17.743952 | .00673594 |
| 5 | 3s | 20.087314 | .00808494 |
| 6 | 5s | 36.081718 | .00061402 |
| 7 | 5s | 6.422552 | -.00318141 |
| 8 | 2s | 89.975465 | .00000717 |
| ORB.ENERGY,a.u. | -16.930000 | ||
| NORM | 1.000000 | < R > | .420717 | < R2 > | .208180 | < 1/R > | 3.482134 | < 1/R**2 > | 49.506452 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 16.159814 | .92045595 |
| 2 | 1s | 23.358575 | .07584355 |
| 3 | 2s | 10.415213 | .02022905 |
| 4 | 3s | 12.729704 | -.02016539 |
| 5 | 4s | 15.490017 | .00891857 |
| 6 | 5s | 41.325179 | .00081054 |
| 7 | 4s | 103.001424 | -.00002508 |
| ORB.ENERGY,a.u. | -112.130000 |
| NORM | 1.000000 | < R > | .091029 | < R2 > | .011120 | < 1/R > | 16.590409 | < 1/R**2 > | 554.570080 |
Total Energy= -419.01186849 a.u.
Kinetic Energy= 419.00541307 a.u.
Potential Energy= -838.01728156 a.u.
Virial Ratio = -2.00001541