(1s 2 2s 2 2p 2 4s 1 ) 4 P F 2+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4140.
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 | 4s- electron | |
| 1 | 1s | 8.239017 | .05909787 |
| 2 | 2s | 1.396609 | -.84891291 |
| 3 | 3s | 1.361472 | 2.05378533 |
| 4 | 4s | .923451 | -1.53136713 |
| 5 | 5s | 1.922483 | -.26971136 |
| 6 | 4s | 6.027514 | -.05618065 |
| 7 | 5s | 11.493611 | -.01052207 |
| 8 | 4s | 16.687349 | -.00276489 |
| 9 | 5s | 50.628844 | -.00006222 |
| ORB.ENERGY,a.u. | -.407240 | ||
| NORM | .999999 | < R > | 5.568761 | < R2 > | 34.854066 | < 1/R > | .250315 | < 1/R**2 > | .492791 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 2.768119 | .78948865 |
| 2 | 2p | 4.528739 | .22139887 |
| 3 | 2p | 9.878226 | .01112979 |
| 4 | 3p | 1.699413 | .01671756 |
| 5 | 4p | 1.434969 | -.00914190 |
| 6 | 5p | 12.222859 | .00129822 |
| 7 | 5p | 1.420489 | .00279127 |
| 8 | 4p | 30.512569 | .00003785 |
| ORB.ENERGY,a.u. | -2.950000 | ||
| NORM | 1.000000 | < R > | .818987 | < R2 > | .825770 | < 1/R > | 1.575500 | < 1/R**2 > | 3.444891 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 7.404560 | .33521271 |
| 2 | 2s | 3.424833 | -.85938701 |
| 3 | 3s | 3.009590 | -.26418440 |
| 4 | 4s | 10.131523 | .01678369 |
| 5 | 3s | 12.288535 | .01137924 |
| 6 | 5s | 2.046743 | -.00512011 |
| 7 | 4s | .879883 | .00743576 |
| 8 | 5s | 24.628029 | -.00016775 |
| 9 | 3s | 19.643498 | -.00097374 |
| ORB.ENERGY,a.u. | -2.543200 | ||
| NORM | 1.000000 | < R > | .882119 | < R2 > | .921059 | < 1/R > | 1.634797 | < 1/R**2 > | 10.885347 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 2.635377 | .00611938 |
| 2 | 1s | 8.284603 | .68765149 |
| 3 | 1s | 12.178916 | .22276552 |
| 4 | 2s | 9.056852 | .12751142 |
| 5 | 3s | 10.188988 | -.02761527 |
| 6 | 4s | 16.857956 | .00394466 |
| 7 | 5s | 5.152446 | -.00157727 |
| 8 | 5s | 66.027448 | -.00001315 |
| 9 | 4s | .660800 | -.00027934 |
| ORB.ENERGY,a.u. | -27.478000 |
| NORM | 1.000000 | < R > | .175222 | < R2 > | .041298 | < 1/R > | 8.645510 | < 1/R**2 > | 151.230476 |
Total Energy= -95.72311607 a.u.
Kinetic Energy= 95.72664235 a.u.
Potential Energy= -191.44975842 a.u.
Virial Ratio = -1.99996316