Theoretical Compton profile anisotropies in molecules and solids. IV. Parallel--perpendicular anisotropies in alkali fluoride molecules
Journal Article
·
· J. Chem. Phys.; (United States)
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.
- Research Organization:
- Department of Chemistry, University of Houston, Houston, Texas 77004
- OSTI ID:
- 5939728
- Journal Information:
- J. Chem. Phys.; (United States), Vol. 71:2
- Country of Publication:
- United States
- Language:
- English
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Related Subjects
36 MATERIALS SCIENCE
LITHIUM FLUORIDES
CRYSTAL STRUCTURE
PHOTON-MOLECULE COLLISIONS
POTASSIUM FLUORIDES
RUBIDIUM FLUORIDES
SODIUM FLUORIDES
ANISOTROPY
CHARGE DISTRIBUTION
COMPTON EFFECT
WAVE FUNCTIONS
ALKALI METAL COMPOUNDS
BASIC INTERACTIONS
COLLISIONS
ELASTIC SCATTERING
ELECTROMAGNETIC INTERACTIONS
FLUORIDES
FLUORINE COMPOUNDS
FUNCTIONS
HALIDES
HALOGEN COMPOUNDS
INTERACTIONS
LITHIUM COMPOUNDS
LITHIUM HALIDES
MOLECULE COLLISIONS
PHOTON COLLISIONS
POTASSIUM COMPOUNDS
RUBIDIUM COMPOUNDS
SCATTERING
SODIUM COMPOUNDS
360602* - Other Materials- Structure & Phase Studies
LITHIUM FLUORIDES
CRYSTAL STRUCTURE
PHOTON-MOLECULE COLLISIONS
POTASSIUM FLUORIDES
RUBIDIUM FLUORIDES
SODIUM FLUORIDES
ANISOTROPY
CHARGE DISTRIBUTION
COMPTON EFFECT
WAVE FUNCTIONS
ALKALI METAL COMPOUNDS
BASIC INTERACTIONS
COLLISIONS
ELASTIC SCATTERING
ELECTROMAGNETIC INTERACTIONS
FLUORIDES
FLUORINE COMPOUNDS
FUNCTIONS
HALIDES
HALOGEN COMPOUNDS
INTERACTIONS
LITHIUM COMPOUNDS
LITHIUM HALIDES
MOLECULE COLLISIONS
PHOTON COLLISIONS
POTASSIUM COMPOUNDS
RUBIDIUM COMPOUNDS
SCATTERING
SODIUM COMPOUNDS
360602* - Other Materials- Structure & Phase Studies