(1s 2 2s 2 2p 2 5d 1 ) 4 F S 9+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4352.
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 | 2.612898 | 1.51293823 |
| 2 | 4d | 2.208320 | -4.02107371 |
| 3 | 5d | 2.005764 | 3.23726508 |
| 4 | 3d | 7.246700 | .02997607 |
| 5 | 5d | 4.218459 | -.06018230 |
| 6 | 4d | 21.201177 | -.00014325 |
| 7 | 5d | 1.492756 | -.00842807 |
| 8 | 5d | 47.017325 | .00001348 |
| ORB.ENERGY,a.u. | -2.066300 | ||
| NORM | .999998 | < R > | 3.330148 | < R2 > | 12.589519 | < 1/R > | .419077 | < 1/R**2 > | .368402 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 6.332201 | 1.13305724 |
| 2 | 3p | 7.533818 | -.15401193 |
| 3 | 2p | 15.265108 | .01968119 |
| 4 | 4p | 16.680166 | .00444820 |
| 5 | 5p | 35.296327 | -.00026189 |
| 6 | 5p | 1.486596 | .00007800 |
| 7 | 4p | 5.337374 | -.00090734 |
| ORB.ENERGY,a.u. | -18.145000 | ||
| NORM | 1.000000 | < R > | .378384 | < R2 > | .173740 | < 1/R > | 3.350682 | < 1/R**2 > | 15.246271 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 12.624776 | .42193281 |
| 2 | 2s | 6.969075 | -.86309719 |
| 3 | 3s | 7.112045 | -.28396814 |
| 4 | 4s | 26.966749 | .00211106 |
| 5 | 3s | 14.868584 | .01701588 |
| 6 | 5s | 7.147053 | -.02183975 |
| ORB.ENERGY,a.u. | -17.188000 | ||
| NORM | 1.000000 | < R > | .433289 | < R2 > | .220016 | < 1/R > | 3.384358 | < 1/R**2 > | 46.476961 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 15.112489 | .92672087 |
| 2 | 1s | 23.112841 | .07200835 |
| 3 | 2s | 14.129581 | .01947597 |
| 4 | 3s | 17.753858 | -.01558726 |
| 5 | 5s | 37.701198 | .00090188 |
| 6 | 4s | 89.319835 | -.00003650 |
| 7 | 5s | 11.798147 | .00036814 |
| ORB.ENERGY,a.u. | -102.910000 |
| NORM | 1.000000 | < R > | .096557 | < R2 > | .012497 | < 1/R > | 15.626937 | < 1/R**2 > | 491.749900 |
Total Energy= -336.98099629 a.u.
Kinetic Energy= 336.99483337 a.u.
Potential Energy= -673.97582967 a.u.
Virial Ratio = -1.99995894