(1s 2 4p 1 ) 2 P F 6+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2141.
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 | 4p- electron | |
| 1 | 2p | .898572 | .03187373 |
| 2 | 2p | 1.755334 | 2.13275898 |
| 3 | 3p | 1.778253 | -5.85386264 |
| 4 | 4p | 1.770775 | 4.35474840 |
| 5 | 2p | 5.510577 | .03355708 |
| 6 | 3p | 7.897253 | -.01116828 |
| 7 | 5p | 23.161957 | -.00011190 |
| 8 | 5p | .957334 | -.00311847 |
| ORB.ENERGY,a.u. | -1.551200 | ||
| NORM | 1.000000 | < R > | 3.242375 | < R2 > | 11.928488 | < 1/R > | .445703 | < 1/R**2 > | .545714 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 8.072635 | .84723411 |
| 2 | 1s | 12.440142 | .14971944 |
| 3 | 2s | 10.726398 | .02081995 |
| 4 | 3s | 9.230700 | -.01601888 |
| 5 | 4s | 15.895194 | .00396225 |
| 6 | 5s | 60.628472 | -.00002919 |
| 7 | 5s | 8.641989 | -.00099016 |
| ORB.ENERGY,a.u. | -34.543000 |
| NORM | 1.000000 | < R > | .174004 | < R2 > | .040599 | < 1/R > | 8.685213 | < 1/R**2 > | 152.334655 |
Total Energy= -77.03685691 a.u.
Kinetic Energy= 77.03686568 a.u.
Potential Energy= -154.07372259 a.u.
Virial Ratio = -1.99999989