(1s 2 3s 1 ) 2 S F 6+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2030.
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 | 3s- electron | |
| 1 | 1s | 6.702158 | .23738097 |
| 2 | 2s | 2.744682 | -1.30654645 |
| 3 | 3s | 2.385306 | 1.96761783 |
| 4 | 4s | 4.066694 | -.19077462 |
| 5 | 5s | 6.874765 | -.04662520 |
| 6 | 4s | 14.539234 | .01156647 |
| 7 | 5s | 18.853245 | -.00347988 |
| 8 | 5s | 1.887870 | -.00139758 |
| 9 | 4s | 47.502353 | .00005613 |
| ORB.ENERGY,a.u. | -2.910300 | ||
| NORM | 1.000000 | < R > | 1.808451 | < R2 > | 3.714142 | < 1/R > | .811361 | < 1/R**2 > | 3.966992 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 8.063989 | .84705060 |
| 2 | 1s | 12.435862 | .15057595 |
| 3 | 2s | 10.708330 | .02094929 |
| 4 | 3s | 8.780576 | -.01633202 |
| 5 | 4s | 16.221278 | .00255886 |
| 6 | 5s | 37.256751 | -.00004022 |
| 7 | 5s | 2.963457 | -.00010155 |
| 8 | 3s | 29.350184 | -.00017919 |
| ORB.ENERGY,a.u. | -34.231000 |
| NORM | 1.000000 | < R > | .174006 | < R2 > | .040601 | < 1/R > | 8.685070 | < 1/R**2 > | 152.327317 |
Total Energy= -78.39401743 a.u.
Kinetic Energy= 78.39401770 a.u.
Potential Energy= -156.78803513 a.u.
Virial Ratio = -2.00000000