(1s 2 2s 1 5s 1 ) 3 S F 5+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3050.
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 | 5s- electron | |
| 1 | 1s | 6.792569 | .09145187 |
| 2 | 2s | 1.189703 | -3.86500220 |
| 3 | 3s | 1.630291 | 6.02809131 |
| 4 | 4s | 1.336149 | -5.84145753 |
| 5 | 5s | 1.244825 | 4.56067024 |
| 6 | 5s | 6.451645 | -.01587891 |
| 7 | 4s | 13.349236 | .00286075 |
| 8 | 2s | 24.933626 | -.00007747 |
| 9 | 4s | .658842 | -.00324339 |
| ORB.ENERGY,a.u. | -.787850 | ||
| NORM | .999995 | < R > | 5.725901 | < R2 > | 36.680688 | < 1/R > | .253256 | < 1/R**2 > | .624381 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 7.254980 | .39912883 |
| 2 | 2s | 3.683130 | -.88444664 |
| 3 | 3s | 4.259009 | -.25301084 |
| 4 | 4s | 10.352255 | .02798984 |
| 5 | 5s | 7.407772 | -.00583452 |
| 6 | 4s | 3.503290 | -.00703121 |
| 7 | 5s | 18.855633 | .00498330 |
| 8 | 3s | 4.987077 | .00623781 |
| 9 | 4s | 24.385848 | .00183488 |
| 10 | 2s | 45.366038 | -.00004036 |
| ORB.ENERGY,a.u. | -6.569200 | ||
| NORM | 1.000000 | < R > | .777631 | < R2 > | .705338 | < 1/R > | 1.873064 | < 1/R**2 > | 14.169770 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 8.165297 | .86698479 |
| 2 | 1s | 12.289060 | .13339337 |
| 3 | 2s | 6.777985 | .02919276 |
| 4 | 3s | 8.329812 | -.02906123 |
| 5 | 4s | 16.848106 | .00301280 |
| 6 | 5s | 12.121015 | .00056902 |
| 7 | 3s | 26.962335 | -.00016768 |
| 8 | 5s | 3.950664 | .00017082 |
| ORB.ENERGY,a.u. | -31.913000 |
| NORM | 1.000000 | < R > | .174271 | < R2 > | .040757 | < 1/R > | 8.676403 | < 1/R**2 > | 152.080806 |
Total Energy= -83.06366823 a.u.
Kinetic Energy= 83.06694559 a.u.
Potential Energy= -166.13061382 a.u.
Virial Ratio = -1.99996055