(1s 2 2s 2 2p 1 5d 1 ) 3 D N +
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3252.
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 | .524276 | 1.41208161 |
| 2 | 4d | .419803 | -4.82827136 |
| 3 | 5d | .403105 | 3.99434813 |
| 4 | 3d | 1.775861 | .02100041 |
| 5 | 4d | .388378 | .12784699 |
| 6 | 5d | 1.501023 | .01923543 |
| 7 | 4d | 4.161020 | .00160535 |
| 8 | 3d | 6.521990 | .00020258 |
| ORB.ENERGY,a.u. | -.081988 | ||
| NORM | 1.000009 | < R > | 16.775740 | < R2 > | 319.839995 | < 1/R > | .083634 | < 1/R**2 > | .014826 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 2.066976 | .82713101 |
| 2 | 2p | 3.464916 | .18649822 |
| 3 | 2p | 7.891236 | .00938207 |
| 4 | 3p | 3.990928 | -.00528433 |
| 5 | 4p | 1.944187 | .01755527 |
| 6 | 4p | 12.035508 | -.00065258 |
| ORB.ENERGY,a.u. | -1.630800 | ||
| NORM | 1.000000 | < R > | 1.121008 | < R2 > | 1.545469 | < 1/R > | 1.150727 | < 1/R**2 > | 1.840541 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 6.428019 | .26761323 |
| 2 | 2s | 2.000103 | -.76166012 |
| 3 | 3s | 3.461867 | -.27623440 |
| 4 | 4s | 13.207756 | .00224959 |
| 5 | 5s | 7.041106 | -.02366956 |
| 6 | 5s | 2.267380 | .03187305 |
| 7 | 4s | 29.507217 | .00003136 |
| 8 | 4s | 1.879050 | -.00891368 |
| ORB.ENERGY,a.u. | -1.962200 | ||
| NORM | 1.000000 | < R > | 1.179376 | < R2 > | 1.644387 | < 1/R > | 1.210939 | < 1/R**2 > | 5.925530 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 3.270065 | .00613010 |
| 2 | 1s | 6.254610 | .70947657 |
| 3 | 1s | 9.331987 | .22642807 |
| 4 | 2s | 7.139651 | .08427253 |
| 5 | 3s | 7.702674 | -.01452545 |
| 6 | 4s | 12.790265 | .00522557 |
| 7 | 5s | 22.111342 | .00018889 |
| ORB.ENERGY,a.u. | -16.800000 |
| NORM | 1.000000 | < R > | .227666 | < R2 > | .069768 | < 1/R > | 6.663966 | < 1/R**2 > | 90.057481 |
Total Energy= -52.89805290 a.u.
Kinetic Energy= 52.89778009 a.u.
Potential Energy= -105.79583299 a.u.
Virial Ratio = -2.00000516