(1s 2 2s 2 2p 2 5d 1 ) 2 F S 9+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2352.
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 | 2.496007 | 1.66019329 |
| 2 | 4d | 2.155243 | -4.51979287 |
| 3 | 5d | 1.987822 | 3.54142455 |
| 4 | 3d | 6.400921 | .03274023 |
| 5 | 5d | 9.688383 | -.00698994 |
| 6 | 4d | 33.699115 | .00005368 |
| 7 | 5d | 1.263652 | -.01075323 |
| 8 | 4d | .948817 | .00440436 |
| 9 | 3d | 60.296010 | .00000265 |
| ORB.ENERGY,a.u. | -2.032600 | ||
| NORM | 1.000002 | < R > | 3.386215 | < R2 > | 13.025197 | < 1/R > | .412204 | < 1/R**2 > | .352438 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 6.260437 | 1.11688524 |
| 2 | 3p | 7.134973 | -.14918966 |
| 3 | 2p | 15.185631 | .02532167 |
| 4 | 4p | 17.671158 | .01300524 |
| 5 | 5p | 23.431754 | -.00271441 |
| 6 | 5p | 1.365112 | -.00032541 |
| 7 | 3p | 37.563347 | .00023087 |
| 8 | 3p | .889088 | .00030601 |
| ORB.ENERGY,a.u. | -18.111000 | ||
| NORM | 1.000000 | < R > | .378226 | < R2 > | .173616 | < 1/R > | 3.352193 | < 1/R**2 > | 15.259375 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 12.623872 | .42198442 |
| 2 | 2s | 6.969888 | -.86311271 |
| 3 | 3s | 7.111820 | -.28400958 |
| 4 | 4s | 26.958051 | .00210298 |
| 5 | 3s | 14.872234 | .01706061 |
| 6 | 5s | 7.147534 | -.02188718 |
| ORB.ENERGY,a.u. | -17.188000 | ||
| NORM | 1.000000 | < R > | .433288 | < R2 > | .220014 | < 1/R > | 3.384393 | < 1/R**2 > | 46.478180 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 15.112489 | .92671981 |
| 2 | 1s | 23.112277 | .07201003 |
| 3 | 2s | 14.126660 | .01947715 |
| 4 | 3s | 17.753070 | -.01558731 |
| 5 | 5s | 37.687663 | .00090209 |
| 6 | 4s | 89.348560 | -.00003670 |
| 7 | 5s | 11.793586 | .00036661 |
| ORB.ENERGY,a.u. | -102.910000 |
| NORM | 1.000000 | < R > | .096557 | < R2 > | .012497 | < 1/R > | 15.626894 | < 1/R**2 > | 491.747709 |
Total Energy= -336.98082191 a.u.
Kinetic Energy= 336.96115175 a.u.
Potential Energy= -673.94197366 a.u.
Virial Ratio = -2.00005838