(1s 2 4d 1 ) 2 D O 5+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2242.
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 | 4d- electron | |
| 1 | 3d | 1.532200 | 1.97176985 |
| 2 | 4d | 1.500793 | -2.48040493 |
| 3 | 3d | 8.927399 | .00046861 |
| 4 | 5d | 31.259041 | .00000402 |
| 5 | 4d | 5.216782 | .00059761 |
| 6 | 5d | 1.460417 | -.00644269 |
| ORB.ENERGY,a.u. | -1.125700 | ||
| NORM | 1.000001 | < R > | 3.497536 | < R2 > | 13.982135 | < 1/R > | .375482 | < 1/R**2 > | .225930 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 7.365541 | .73010141 |
| 2 | 1s | 10.607669 | .20545508 |
| 3 | 2s | 7.658259 | .09846946 |
| 4 | 3s | 8.181540 | -.02377340 |
| 5 | 4s | 14.392497 | .00453568 |
| 6 | 5s | 60.633485 | -.00001950 |
| 7 | 5s | 8.082279 | -.00041974 |
| ORB.ENERGY,a.u. | -26.720000 |
| NORM | 1.000000 | < R > | .196765 | < R2 > | .051950 | < 1/R > | 7.687336 | < 1/R**2 > | 119.479933 |
Total Energy= -60.23923634 a.u.
Kinetic Energy= 60.23670529 a.u.
Potential Energy= -120.47594164 a.u.
Virial Ratio = -2.00004202