COMPTON PROFILES AND X-RAY STRUCTURE FACTORS FOR CRYSTALS CALCULATED IN THE HARTREE-FOCK APPROXIMATION
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Date
1974
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Publisher
Ohio State University
Abstract
Compton profiles and X-ray structure factors for Li, Ne, LiF, BN, C, Si and A1 crystals will be presented and compared with the available experimental data. The method of calculation, which employs the solution of the Hartree-Fock equations via an expansion in a basis set of Gaussian lobe functions, will be briefly described. In general the agreement with experiment is found to be good, especially in the case of the insulators and semiconductors of the first-row elements and compounds.
Description
Author Institution: Aerospace Research Laboratories