(1s 2 2s 2 2p 2 5d 1 ) 4 D P 8+
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 | 2.353997 | 1.51682416 |
| 2 | 4d | 1.983928 | -4.03255392 |
| 3 | 5d | 1.802249 | 3.24077800 |
| 4 | 3d | 6.854688 | .02879489 |
| 5 | 5d | 3.947531 | -.05685767 |
| 6 | 4d | 17.850178 | -.00029254 |
| 7 | 5d | 1.255783 | -.00512820 |
| ORB.ENERGY,a.u. | -1.669400 | ||
| NORM | 1.000004 | < R > | 3.707355 | < R2 > | 15.609102 | < 1/R > | .377292 | < 1/R**2 > | .300195 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 5.843867 | 1.14397072 |
| 2 | 3p | 6.981928 | -.16503735 |
| 3 | 2p | 14.587784 | .01899306 |
| 4 | 4p | 16.539231 | .00519230 |
| 5 | 5p | 27.156299 | -.00052500 |
| 6 | 5p | 1.639733 | .00011478 |
| 7 | 4p | 3.124759 | -.00022330 |
| 8 | 3p | 46.877242 | .00003308 |
| ORB.ENERGY,a.u. | -15.225000 | ||
| NORM | 1.000000 | < R > | .409602 | < R2 > | .203784 | < 1/R > | 3.099024 | < 1/R**2 > | 13.061988 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 11.929519 | .41148793 |
| 2 | 2s | 6.446443 | -.85481224 |
| 3 | 3s | 6.620965 | -.28067113 |
| 4 | 4s | 25.096415 | .00222511 |
| 5 | 3s | 14.142913 | .01659848 |
| 6 | 5s | 6.634907 | -.02590696 |
| ORB.ENERGY,a.u. | -14.334000 | ||
| NORM | 1.000000 | < R > | .467117 | < R2 > | .255842 | < 1/R > | 3.134431 | < 1/R**2 > | 39.890105 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 14.110172 | .92170985 |
| 2 | 1s | 21.589427 | .07718975 |
| 3 | 2s | 13.468917 | .01932219 |
| 4 | 3s | 16.733250 | -.01553581 |
| 5 | 5s | 35.649013 | .00099091 |
| 6 | 4s | 86.743981 | -.00003350 |
| 7 | 5s | 11.532625 | .00052531 |
| ORB.ENERGY,a.u. | -89.095000 |
| NORM | 1.000000 | < R > | .103184 | < R2 > | .014276 | < 1/R > | 14.628568 | < 1/R**2 > | 431.107721 |
Total Energy= -293.35993690 a.u.
Kinetic Energy= 293.36450304 a.u.
Potential Energy= -586.72443994 a.u.
Virial Ratio = -1.99998444