Abstract
Compton profiles of NaF and CaO single crystals were measured along the [100] and [110] directions using 60 key gamma rays. A theoretical analysis based on Compton profiles and autocorrelation functions was performed by application of the augmented plane wave (APW) and linear combination of atomic orbitals (LCAO) methods. In the case of NaF both theories agree well with each other but their results differ in a characteristic manner from the experiment. For CaO a good agreement of the APW results and experiment especially for the difference quantities is found whereas the LCAO model yields less satisfying results in this case.
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Schedule a callMore From: Acta Crystallographica Section A Foundations of Crystallography
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