(1s 2 5d 1 ) 2 D F 6+
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 | 1.402782 | 3.52519366 |
| 2 | 4d | 1.401961 | -8.78651319 |
| 3 | 5d | 1.400587 | 5.95533050 |
| 4 | 3d | 9.633678 | .00042921 |
| 5 | 5d | 6.670774 | .00058034 |
| ORB.ENERGY,a.u. | -.980540 | ||
| NORM | .999999 | < R > | 4.925789 | < R2 > | 27.521678 | < 1/R > | .280308 | < 1/R**2 > | .157447 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 8.074903 | .84725922 |
| 2 | 1s | 12.435415 | .14974123 |
| 3 | 2s | 10.748843 | .02071280 |
| 4 | 3s | 9.170739 | -.01626126 |
| 5 | 4s | 15.851643 | .00407832 |
| 6 | 5s | 62.672443 | -.00002725 |
| 7 | 5s | 8.820382 | -.00085494 |
| ORB.ENERGY,a.u. | -34.712000 |
| NORM | 1.000000 | < R > | .173942 | < R2 > | .040566 | < 1/R > | 8.687392 | < 1/R**2 > | 152.395569 |
Total Energy= -76.46838322 a.u.
Kinetic Energy= 76.46656678 a.u.
Potential Energy= -152.93495000 a.u.
Virial Ratio = -2.00002375