(1s 1 3p 1 ) 3 P F 7+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3131.
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 | 3p- electron | |
| 1 | 2p | 2.872598 | 1.23467543 |
| 2 | 3p | 2.597454 | -2.04373745 |
| 3 | 2p | 7.656611 | .02596747 |
| 4 | 4p | 2.543342 | .18630609 |
| 5 | 3p | 5.325089 | .04531379 |
| 6 | 5p | 17.972633 | -.00037260 |
| 7 | 5p | 2.357312 | -.00822982 |
| ORB.ENERGY,a.u. | -3.647700 | ||
| NORM | 1.000000 | < R > | 1.540738 | < R2 > | 2.736062 | < 1/R > | .904856 | < 1/R**2 > | 1.662177 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 8.846880 | .75707964 |
| 2 | 1s | 9.104455 | .25670052 |
| 3 | 2s | 9.116624 | -.01599665 |
| 4 | 3s | 4.597900 | -.00026745 |
| 5 | 4s | 10.163604 | .00070636 |
| 6 | 5s | 25.850399 | -.00002984 |
| 7 | 5s | 4.157920 | -.00016418 |
| ORB.ENERGY,a.u. | -39.648000 |
| NORM | 1.000000 | < R > | .166901 | < R2 > | .037153 | < 1/R > | 8.990775 | < 1/R**2 > | 161.730195 |
Total Energy= -44.08568662 a.u.
Kinetic Energy= 44.10230156 a.u.
Potential Energy= -88.18798818 a.u.
Virial Ratio = -1.99962326