(1s 2 2s 2 2p 2 ) 3 P F 3+
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 | 2.880284 | .85178755 |
| 2 | 2p | 4.865877 | .15995065 |
| 3 | 2p | 10.038264 | .00885257 |
| 4 | 3p | 3.573041 | -.01510405 |
| 5 | 4p | 2.767880 | .03064146 |
| 6 | 4p | 16.094785 | -.00063114 |
| ORB.ENERGY,a.u. | -3.192800 | ||
| NORM | 1.000000 | < R > | .817249 | < R2 > | .821762 | < 1/R > | 1.578012 | < 1/R**2 > | 3.454447 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 8.097424 | .29358160 |
| 2 | 2s | 2.837462 | -.78038686 |
| 3 | 3s | 4.890840 | -.26619901 |
| 4 | 4s | 5.810995 | .01644660 |
| 5 | 5s | 4.491563 | -.03546952 |
| 6 | 5s | 14.664989 | .00699546 |
| 7 | 4s | 18.715648 | .00366623 |
| 8 | 3s | 26.743671 | .00022309 |
| ORB.ENERGY,a.u. | -4.533500 | ||
| NORM | 1.000000 | < R > | .880210 | < R2 > | .915670 | < 1/R > | 1.637535 | < 1/R**2 > | 10.917204 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 8.035353 | .85370089 |
| 2 | 1s | 12.707202 | .14184437 |
| 3 | 1s | 3.474845 | .00326818 |
| 4 | 2s | 11.228916 | .02016950 |
| 5 | 3s | 9.966371 | -.01590320 |
| 6 | 4s | 16.419335 | .00429588 |
| 7 | 5s | 69.856061 | -.00001601 |
| ORB.ENERGY,a.u. | -30.269000 |
| NORM | 1.000000 | < R > | .175225 | < R2 > | .041296 | < 1/R > | 8.645457 | < 1/R**2 > | 151.229696 |
Total Energy= -95.31960864 a.u.
Kinetic Energy= 95.31961447 a.u.
Potential Energy= -190.63922310 a.u.
Virial Ratio = -1.99999994