(1s 2 2s 1 3p 1 ) 3 P F 5+
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 | 2.629693 | .90521927 |
| 2 | 3p | 2.070578 | -1.49904720 |
| 3 | 2p | 7.339486 | .03099688 |
| 4 | 4p | 7.808949 | .01329466 |
| 5 | 5p | 4.854851 | -.02141502 |
| 6 | 3p | 23.059888 | .00004723 |
| ORB.ENERGY,a.u. | -2.159000 | ||
| NORM | 1.000000 | < R > | 1.927866 | < R2 > | 4.278851 | < 1/R > | .722058 | < 1/R**2 > | 1.087089 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 7.313040 | .39073383 |
| 2 | 2s | 3.669337 | -.87908688 |
| 3 | 3s | 4.261552 | -.25382520 |
| 4 | 4s | 10.127402 | .03077313 |
| 5 | 3s | 12.324405 | .01060225 |
| 6 | 5s | 3.563483 | -.01590163 |
| 7 | 5s | 20.245259 | .00101907 |
| 8 | 2s | 66.052019 | .00000357 |
| ORB.ENERGY,a.u. | -6.190100 | ||
| NORM | 1.000000 | < R > | .784485 | < R2 > | .719070 | < 1/R > | 1.856276 | < 1/R**2 > | 13.929970 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 8.155335 | .86460720 |
| 2 | 1s | 12.218589 | .13650230 |
| 3 | 2s | 6.642334 | .02670053 |
| 4 | 3s | 8.230249 | -.02789605 |
| 5 | 4s | 17.083469 | .00319314 |
| 6 | 5s | 12.042405 | .00127200 |
| 7 | 5s | 30.221395 | -.00002262 |
| 8 | 3s | 26.658421 | -.00015103 |
| ORB.ENERGY,a.u. | -31.913000 |
| NORM | 1.000000 | < R > | .174365 | < R2 > | .040805 | < 1/R > | 8.673097 | < 1/R**2 > | 151.989166 |
Total Energy= -84.42951518 a.u.
Kinetic Energy= 84.43785034 a.u.
Potential Energy= -168.86736552 a.u.
Virial Ratio = -1.99990129