Calculations of Compton profiles and parallel-perpendicular anisotropies in alkali fluorides are presented and analyzed in terms of molecular charge distributions and wave function character. It is found that the parallel profile associated with the valence pi orbital is the principal factor determining the relative shapes of the total profile anisotropies in the low momentum region.
ASJC Scopus subject areas
- Physics and Astronomy(all)
- Physical and Theoretical Chemistry