(1s 2 2s 2 2p 1 4d 1 ) 3 D F 3+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3242.
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 | 1.212206 | 1.30228900 |
| 2 | 4d | 1.007243 | -1.73566735 |
| 3 | 3d | 3.757691 | .02072616 |
| 4 | 5d | 2.012299 | -.05855279 |
| 5 | 4d | 27.726343 | .00000865 |
| 6 | 5d | 9.722542 | -.00023369 |
| ORB.ENERGY,a.u. | -.517320 | ||
| NORM | 1.000001 | < R > | 5.035862 | < R2 > | 29.101106 | < 1/R > | .265308 | < 1/R**2 > | .117558 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 3.024246 | .85121561 |
| 2 | 2p | 4.808610 | .16813679 |
| 3 | 2p | 10.156798 | .00914911 |
| 4 | 3p | 3.403868 | -.00661968 |
| 5 | 4p | 1.757964 | .00125096 |
| 6 | 4p | 16.299016 | -.00063403 |
| 7 | 5p | 1.078855 | .00034107 |
| ORB.ENERGY,a.u. | -3.906800 | ||
| NORM | 1.000000 | < R > | .766540 | < R2 > | .717163 | < 1/R > | 1.666495 | < 1/R**2 > | 3.810989 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 8.049579 | .30961421 |
| 2 | 2s | 2.932914 | -.78685790 |
| 3 | 3s | 4.689925 | -.27297199 |
| 4 | 4s | 12.507597 | .00531365 |
| 5 | 5s | 9.881161 | -.01121547 |
| 6 | 5s | 2.974531 | .01870607 |
| 7 | 4s | 20.585600 | .00098710 |
| 8 | 4s | 2.125928 | -.00732545 |
| 9 | 5s | 62.573569 | .00001650 |
| 10 | 2s | 1.155196 | .00225025 |
| ORB.ENERGY,a.u. | -4.533500 | ||
| NORM | 1.000000 | < R > | .844322 | < R2 > | .838286 | < 1/R > | 1.709746 | < 1/R**2 > | 11.845923 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 3.334629 | .00124134 |
| 2 | 1s | 8.052939 | .85102262 |
| 3 | 1s | 12.611414 | .14441162 |
| 4 | 2s | 11.020876 | .02092740 |
| 5 | 3s | 9.802961 | -.01582957 |
| 6 | 4s | 15.749881 | .00477830 |
| 7 | 5s | 28.685291 | .00028323 |
| ORB.ENERGY,a.u. | -30.269000 |
| NORM | 1.000000 | < R > | .174825 | < R2 > | .041062 | < 1/R > | 8.657659 | < 1/R**2 > | 151.555737 |
Total Energy= -92.64575762 a.u.
Kinetic Energy= 92.64409749 a.u.
Potential Energy= -185.28985511 a.u.
Virial Ratio = -2.00001792