(1s 2 2s 2 2p 4 4d 1 ) 2 D Ne +
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 | .568449 | 1.45558912 |
| 2 | 4d | .496828 | -1.91914468 |
| 3 | 3d | 3.353571 | .00310640 |
| 4 | 5d | 1.109869 | -.01846568 |
| 5 | 4d | 7.657469 | .00026414 |
| 6 | 5d | 27.160971 | .00001419 |
| ORB.ENERGY,a.u. | -.126170 | ||
| NORM | .999998 | < R > | 10.389195 | < R2 > | 123.448870 | < 1/R > | .126834 | < 1/R**2 > | .026070 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 2.643338 | .66911583 |
| 2 | 2p | 4.488060 | .37473159 |
| 3 | 2p | 11.057558 | .01101674 |
| 4 | 3p | 1.926690 | .03470674 |
| 5 | 4p | 6.587187 | -.02936867 |
| 6 | 4p | 1.885917 | -.00888646 |
| 7 | 5p | 22.971781 | -.00017410 |
| ORB.ENERGY,a.u. | -2.099800 | ||
| NORM | 1.000000 | < R > | .804493 | < R2 > | .812279 | < 1/R > | 1.638731 | < 1/R**2 > | 3.810835 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 8.313062 | .31822508 |
| 2 | 2s | 3.750723 | -.81973822 |
| 3 | 3s | 3.039904 | -.30586555 |
| 4 | 4s | 13.064564 | .01370944 |
| 5 | 3s | 16.866571 | .00267221 |
| 6 | 5s | 25.702231 | .00051907 |
| 7 | 5s | 1.956009 | -.00762551 |
| 8 | 3s | 1.508446 | .01060367 |
| ORB.ENERGY,a.u. | -2.422000 | ||
| NORM | 1.000000 | < R > | .828302 | < R2 > | .818645 | < 1/R > | 1.746597 | < 1/R**2 > | 12.536993 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 9.241841 | .89829684 |
| 2 | 1s | 13.940065 | .09841098 |
| 3 | 1s | 14.375114 | .00063751 |
| 4 | 2s | 6.900596 | .01561090 |
| 5 | 3s | 10.758731 | -.00730152 |
| 6 | 4s | 18.594770 | .00283891 |
| 7 | 5s | 61.262615 | -.00003567 |
| 8 | 5s | 5.182228 | .00051542 |
| ORB.ENERGY,a.u. | -32.883000 |
| NORM | 1.000000 | < R > | .157455 | < R2 > | .033372 | < 1/R > | 9.624146 | < 1/R**2 > | 187.372807 |
Total Energy= -126.49974827 a.u.
Kinetic Energy= 126.49829002 a.u.
Potential Energy= -252.99803829 a.u.
Virial Ratio = -2.00001153