(1s 1 5d 1 ) 3 D O 6+
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 | 1.399487 | 3.55305145 |
| 2 | 4d | 1.400200 | -8.86519102 |
| 3 | 5d | 1.400576 | 6.00670601 |
| 4 | 3d | 8.300310 | .00048945 |
| 5 | 5d | 5.971809 | .00064769 |
| ORB.ENERGY,a.u. | -1.007800 | ||
| NORM | .999999 | < R > | 4.925756 | < R2 > | 27.521333 | < 1/R > | .280307 | < 1/R**2 > | .157430 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 7.867908 | .75744129 |
| 2 | 1s | 8.102270 | .25628796 |
| 3 | 2s | 7.931502 | -.01566537 |
| 4 | 3s | 8.900730 | -.00018193 |
| ORB.ENERGY,a.u. | -31.728000 |
| NORM | 1.000000 | < R > | .187509 | < R2 > | .046881 | < 1/R > | 7.999786 | < 1/R**2 > | 127.994939 |
Total Energy= -32.98356903 a.u.
Kinetic Energy= 32.98044069 a.u.
Potential Energy= -65.96400972 a.u.
Virial Ratio = -2.00009485