Molecular orbital theory of the Compton profile of F2
- 15 March 1978
- journal article
- research article
- Published by AIP Publishing in The Journal of Chemical Physics
- Vol. 68 (6) , 2974-2979
- https://doi.org/10.1063/1.436051
Abstract
Theoretical directional and spherical average Compton profiles have been computed for the fluorine molecule from an SCF–MO wavefunction. The Compton profile of F2 is found to be highly anisotropic due to an atomic contribution and a prominent overlap or diffraction effect from which the bond length can be deduced with about 5% error.Keywords
This publication has 9 references indexed in Scilit:
- Anisotropic Compton Scattering in LiFPhysical Review Letters, 1975
- Gamma-Ray Compton Profiles of Diamond, Silicon, and GermaniumPhysical Review B, 1972
- Gamma-Ray Compton Scattering: Experimental Compton Profiles for He,, Ar, and KrPhysical Review A, 1972
- Electron Momentum Density of He and; Compton X-Ray ScatteringPhysical Review A, 1970
- Compton Scattering of X Rays from Bound ElectronsPhysical Review A, 1970
- Electronic States of the Amide GroupThe Journal of Chemical Physics, 1967
- The Computation of Wave Functions in Momentum Space - II: The Hydrogen Molecule IonProceedings of the Physical Society. Section A, 1949
- The Computation of Wave Functions in Momentum Space - I: The Helium AtomProceedings of the Physical Society. Section A, 1949
- Momentum Distribution in Molecular SystemsMathematical Proceedings of the Cambridge Philosophical Society, 1941