(1s 2 2s 1 ) 2 S F 6+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2020.
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 | 2s- electron | |
| 1 | 1s | 8.579103 | .29726289 |
| 2 | 1s | 15.027144 | .00559132 |
| 3 | 2s | 3.607772 | -1.24289405 |
| 4 | 2s | 6.661736 | .25044276 |
| 5 | 3s | 19.223790 | -.00083613 |
| 6 | 4s | 3.508094 | .01751761 |
| 7 | 3s | 2.280535 | -.00164432 |
| ORB.ENERGY,a.u. | -6.800600 | ||
| NORM | 1.000000 | < R > | .777571 | < R2 > | .705099 | < 1/R > | 1.872586 | < 1/R**2 > | 14.157194 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 8.046865 | .85294127 |
| 2 | 1s | 12.196493 | .15277347 |
| 3 | 2s | 8.318103 | .01949493 |
| 4 | 3s | 11.142192 | -.01529940 |
| 5 | 4s | 18.921749 | .00269159 |
| 6 | 5s | 11.127212 | -.01060190 |
| 7 | 5s | 4.553386 | .00031350 |
| ORB.ENERGY,a.u. | -33.323000 |
| NORM | 1.000000 | < R > | .174254 | < R2 > | .040747 | < 1/R > | 8.676978 | < 1/R**2 > | 152.096980 |
Total Energy= -82.27949427 a.u.
Kinetic Energy= 82.27949478 a.u.
Potential Energy= -164.55898906 a.u.
Virial Ratio = -1.99999999