(1s 2 2s 2 2p 2 5d 1 ) 4 D O +
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4252.
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 | .492740 | 1.76262589 |
| 2 | 4d | .453265 | -3.89517437 |
| 3 | 5d | .389667 | 2.98888411 |
| 4 | 3d | 2.280962 | .02652344 |
| 5 | 4d | .310760 | -.22124429 |
| 6 | 5d | 1.814265 | .01866863 |
| 7 | 4d | 14.063376 | .00005683 |
| 8 | 5d | 7.401545 | .00040230 |
| ORB.ENERGY,a.u. | -.081682 | ||
| NORM | 1.000002 | < R > | 16.783206 | < R2 > | 320.898053 | < 1/R > | .084985 | < 1/R**2 > | .016057 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 2.281207 | .77898710 |
| 2 | 2p | 3.872013 | .23338609 |
| 3 | 2p | 8.108291 | .01376976 |
| 4 | 3p | 1.430711 | .02218786 |
| 5 | 4p | 1.199374 | -.00967640 |
| 6 | 5p | 16.847287 | -.00090014 |
| 7 | 5p | 1.149275 | .00292364 |
| 8 | 4p | 24.445823 | -.00016844 |
| ORB.ENERGY,a.u. | -1.898700 | ||
| NORM | 1.000000 | < R > | .985228 | < R2 > | 1.201646 | < 1/R > | 1.318443 | < 1/R**2 > | 2.432204 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 6.679511 | .31146916 |
| 2 | 2s | 2.924513 | -.84315592 |
| 3 | 3s | 2.525111 | -.26503410 |
| 4 | 4s | 9.698201 | .01845327 |
| 5 | 3s | 11.256458 | .00700948 |
| 6 | 5s | 2.691564 | -.00639698 |
| 7 | 5s | 19.717143 | .00062579 |
| ORB.ENERGY,a.u. | -1.469000 | ||
| NORM | 1.000000 | < R > | 1.034002 | < R2 > | 1.268679 | < 1/R > | 1.388289 | < 1/R**2 > | 7.842771 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 7.339994 | .73695452 |
| 2 | 1s | 10.790621 | .19546917 |
| 3 | 1s | 2.219165 | .00409642 |
| 4 | 2s | 7.734446 | .09951095 |
| 5 | 3s | 8.869577 | -.02277034 |
| 6 | 4s | 15.077684 | .00463011 |
| 7 | 5s | 3.860636 | -.00080759 |
| ORB.ENERGY,a.u. | -20.744000 |
| NORM | 1.000000 | < R > | .198213 | < R2 > | .052886 | < 1/R > | 7.650530 | < 1/R**2 > | 118.574840 |
Total Energy= -73.18222696 a.u.
Kinetic Energy= 73.18187649 a.u.
Potential Energy= -146.36410345 a.u.
Virial Ratio = -2.00000479