(1s 1 5d 1 ) 3 D C 4+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3252.
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 | .999616 | 3.55322797 |
| 2 | 4d | 1.000200 | -8.86531712 |
| 3 | 5d | 1.000480 | 6.00652108 |
| 4 | 3d | 6.176755 | .00056441 |
| 5 | 5d | 4.345050 | .00075948 |
| ORB.ENERGY,a.u. | -.508920 | ||
| NORM | 1.000000 | < R > | 6.895413 | < R2 > | 53.932322 | < 1/R > | .200259 | < 1/R**2 > | .080383 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 5.892715 | .75793597 |
| 2 | 1s | 6.102183 | .25571697 |
| 3 | 2s | 5.944827 | -.01544902 |
| 4 | 3s | 6.448722 | -.00031888 |
| ORB.ENERGY,a.u. | -17.789000 |
| NORM | 1.000000 | < R > | .250013 | < R2 > | .083344 | < 1/R > | 5.999828 | < 1/R**2 > | 71.996948 |
Total Energy= -18.50234494 a.u.
Kinetic Energy= 18.50026219 a.u.
Potential Energy= -37.00260713 a.u.
Virial Ratio = -2.00011258