(1s 2 2s 2 2p 4 4d 1 ) 4 F Ne +
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4342.
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 | .606410 | 1.26405348 |
| 2 | 4d | .493054 | -1.70150385 |
| 3 | 3d | 2.579504 | .03168564 |
| 4 | 5d | 1.118732 | -.04388016 |
| 5 | 4d | 3.300119 | -.01139805 |
| 6 | 5d | .390708 | .00820851 |
| 7 | 5d | 9.389715 | -.00009847 |
| ORB.ENERGY,a.u. | -.127220 | ||
| NORM | 1.000002 | < R > | 10.230830 | < R2 > | 120.248068 | < 1/R > | .131303 | < 1/R**2 > | .029330 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 2.640852 | .66880431 |
| 2 | 2p | 4.482804 | .37599067 |
| 3 | 2p | 11.062490 | .01102869 |
| 4 | 3p | 1.892982 | .03453977 |
| 5 | 4p | 6.577938 | -.02977918 |
| 6 | 4p | 1.876769 | -.00895126 |
| 7 | 5p | 22.863972 | -.00016979 |
| ORB.ENERGY,a.u. | -2.100900 | ||
| NORM | 1.000000 | < R > | .804881 | < R2 > | .813352 | < 1/R > | 1.638325 | < 1/R**2 > | 3.809472 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 8.312560 | .31825543 |
| 2 | 2s | 3.749895 | -.82041535 |
| 3 | 3s | 3.036148 | -.30595567 |
| 4 | 4s | 13.038949 | .01366139 |
| 5 | 3s | 16.692606 | .00276548 |
| 6 | 5s | 25.689107 | .00050608 |
| 7 | 5s | 1.987429 | -.00839285 |
| 8 | 3s | 1.543704 | .01200278 |
| ORB.ENERGY,a.u. | -2.422000 | ||
| NORM | 1.000000 | < R > | .828319 | < R2 > | .818701 | < 1/R > | 1.746594 | < 1/R**2 > | 12.537079 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 9.241487 | .89816422 |
| 2 | 1s | 13.941795 | .09916075 |
| 3 | 1s | .773950 | .00001329 |
| 4 | 2s | 6.922968 | .01559581 |
| 5 | 3s | 10.780954 | -.00728077 |
| 6 | 4s | 18.633684 | .00283085 |
| 7 | 5s | 60.689732 | -.00003567 |
| 8 | 5s | 5.300361 | .00053205 |
| ORB.ENERGY,a.u. | -32.883000 |
| NORM | 1.000000 | < R > | .157454 | < R2 > | .033371 | < 1/R > | 9.624167 | < 1/R**2 > | 187.373448 |
Total Energy= -126.50001441 a.u.
Kinetic Energy= 126.49933278 a.u.
Potential Energy= -252.99934719 a.u.
Virial Ratio = -2.00000539