(1s 2 5d 1 ) 2 D O 5+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2252.
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 | 1.202543 | 3.52381612 |
| 2 | 4d | 1.201754 | -8.78340888 |
| 3 | 5d | 1.200526 | 5.95361250 |
| 4 | 3d | 8.496997 | .00043959 |
| 5 | 5d | 5.845028 | .00059038 |
| ORB.ENERGY,a.u. | -.720390 | ||
| NORM | 1.000008 | < R > | 5.746679 | < R2 > | 37.458846 | < 1/R > | .240276 | < 1/R**2 > | .115699 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 7.365681 | .73007760 |
| 2 | 1s | 10.608393 | .20544014 |
| 3 | 2s | 7.660419 | .09848442 |
| 4 | 3s | 8.195530 | -.02367387 |
| 5 | 4s | 14.408389 | .00453495 |
| 6 | 5s | 60.694220 | -.00001911 |
| 7 | 5s | 8.118089 | -.00050954 |
| ORB.ENERGY,a.u. | -26.866000 |
| NORM | 1.000000 | < R > | .196762 | < R2 > | .051948 | < 1/R > | 7.687404 | < 1/R**2 > | 119.481442 |
Total Energy= -59.83304160 a.u.
Kinetic Energy= 59.83148014 a.u.
Potential Energy= -119.66452174 a.u.
Virial Ratio = -2.00002610