(1s 1 2p 1 ) 3 P F 7+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3121.
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 | 2p- electron | |
| 1 | 2p | 4.470739 | .78863772 |
| 2 | 3p | 4.221937 | .22056813 |
| 3 | 2p | 8.467307 | .01661001 |
| 4 | 4p | 12.613087 | -.00161923 |
| 5 | 5p | 3.322678 | .00013782 |
| 6 | 3p | 21.171686 | .00002422 |
| ORB.ENERGY,a.u. | -8.211600 | ||
| NORM | 1.000000 | < R > | .609193 | < R2 > | .446882 | < 1/R > | 2.062539 | < 1/R**2 > | 5.716787 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 8.780817 | .76530455 |
| 2 | 1s | 9.209297 | .24978057 |
| 3 | 2s | 8.605064 | -.02323326 |
| 4 | 3s | 7.964823 | .00759757 |
| 5 | 4s | 10.856001 | .00117154 |
| 6 | 5s | 24.027084 | -.00010454 |
| 7 | 5s | 5.270853 | .00014221 |
| ORB.ENERGY,a.u. | -38.587000 |
| NORM | 1.000000 | < R > | .167736 | < R2 > | .037605 | < 1/R > | 8.961427 | < 1/R**2 > | 160.899735 |
Total Energy= -48.60177161 a.u.
Kinetic Energy= 48.66390044 a.u.
Potential Energy= -97.26567205 a.u.
Virial Ratio = -1.99872331