(1s 2 2s 2 2p 5 5d 1 ) 3 D Ne 0
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 | .203176 | 3.30664893 |
| 2 | 4d | .201302 | -8.37357347 |
| 3 | 5d | .199620 | 5.70179581 |
| 4 | 4d | .273712 | .06201050 |
| 5 | 3d | 1.921196 | .00221188 |
| 6 | 5d | 14.699011 | .00005435 |
| 7 | 5d | 6.162184 | .00039353 |
| ORB.ENERGY,a.u. | -.019949 | ||
| NORM | 1.000015 | < R > | 34.580430 | < R2 > | 1356.674774 | < 1/R > | .039993 | < 1/R**2 > | .003229 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 1.699322 | .13360952 |
| 2 | 2p | 2.559996 | .59447800 |
| 3 | 2p | 4.494711 | .30281330 |
| 4 | 2p | 10.269136 | .01867211 |
| 5 | 4p | 2.278289 | .03212728 |
| 6 | 4p | 10.375875 | .01345353 |
| 7 | 3p | 1.664012 | -.01929727 |
| 8 | 3p | 13.919699 | .00249763 |
| ORB.ENERGY,a.u. | -1.382600 | ||
| NORM | 1.000000 | < R > | .875889 | < R2 > | .982053 | < 1/R > | 1.536886 | < 1/R**2 > | 3.420175 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 8.477742 | .29819840 |
| 2 | 2s | 3.739612 | -.78219531 |
| 3 | 3s | 2.888601 | -.34514425 |
| 4 | 4s | 13.018302 | .01790269 |
| 5 | 3s | 20.876750 | .00422841 |
| 6 | 5s | 1.941474 | -.02260856 |
| 7 | 5s | 22.530680 | .00217274 |
| 8 | 4s | 1.603754 | .02750595 |
| 9 | 3s | 1.180889 | -.00619865 |
| 10 | 2s | 36.830860 | .00021257 |
| ORB.ENERGY,a.u. | -1.686480 | ||
| NORM | 1.000000 | < R > | .860284 | < R2 > | .890295 | < 1/R > | 1.685606 | < 1/R**2 > | 11.736249 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 9.243197 | .92165451 |
| 2 | 1s | 14.455195 | .08158591 |
| 3 | 2s | 5.577549 | .00867427 |
| 4 | 3s | 13.469495 | -.00701081 |
| 5 | 4s | 19.905987 | .00352800 |
| 6 | 5s | 29.464131 | -.00009039 |
| 7 | 5s | 3.698332 | .00024115 |
| ORB.ENERGY,a.u. | -31.822000 |
| NORM | 1.000000 | < R > | .157571 | < R2 > | .033436 | < 1/R > | 9.620053 | < 1/R**2 > | 187.253856 |
Total Energy= -127.83812337 a.u.
Kinetic Energy= 127.83777150 a.u.
Potential Energy= -255.67589487 a.u.
Virial Ratio = -2.00000275