(1s 2 2s 2 2p 2 4d 1 ) 4 P P 8+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4142.
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 | 2.648910 | 1.26215832 |
| 2 | 4d | 2.254360 | -1.78043786 |
| 3 | 5d | 8.290349 | -.00966076 |
| 4 | 3d | 5.633898 | .05115808 |
| 5 | 4d | 20.434166 | .00013347 |
| 6 | 5d | 1.901855 | .00637200 |
| 7 | 3d | 23.576587 | .00007969 |
| ORB.ENERGY,a.u. | -2.606000 | ||
| NORM | 1.000000 | < R > | 2.252597 | < R2 > | 5.817179 | < 1/R > | .590649 | < 1/R**2 > | .576695 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 5.820509 | 1.14272450 |
| 2 | 3p | 6.875631 | -.16638586 |
| 3 | 2p | 14.811213 | .01961366 |
| 4 | 4p | 17.279912 | .00870461 |
| 5 | 5p | 23.938857 | -.00197836 |
| 6 | 5p | 3.286750 | .00054633 |
| 7 | 4p | 62.590528 | .00005056 |
| ORB.ENERGY,a.u. | -14.981000 | ||
| NORM | 1.000000 | < R > | .409785 | < R2 > | .204034 | < 1/R > | 3.098294 | < 1/R**2 > | 13.057472 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 11.922897 | .41153555 |
| 2 | 2s | 6.452199 | -.85423307 |
| 3 | 3s | 6.610385 | -.28058494 |
| 4 | 4s | 24.876182 | .00221304 |
| 5 | 3s | 14.225847 | .01655463 |
| 6 | 5s | 6.652842 | -.02725259 |
| ORB.ENERGY,a.u. | -14.334000 | ||
| NORM | 1.000000 | < R > | .467460 | < R2 > | .256254 | < 1/R > | 3.132165 | < 1/R**2 > | 39.836930 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 14.110172 | .92170789 |
| 2 | 1s | 21.589419 | .07719151 |
| 3 | 2s | 13.469197 | .01932203 |
| 4 | 3s | 16.733690 | -.01553545 |
| 5 | 5s | 35.658043 | .00099064 |
| 6 | 4s | 86.718248 | -.00003337 |
| 7 | 5s | 11.517611 | .00052828 |
| ORB.ENERGY,a.u. | -89.095000 |
| NORM | 1.000000 | < R > | .103184 | < R2 > | .014276 | < 1/R > | 14.628580 | < 1/R**2 > | 431.108450 |
Total Energy= -294.31182700 a.u.
Kinetic Energy= 294.30103672 a.u.
Potential Energy= -588.61286372 a.u.
Virial Ratio = -2.00003666