Directional Compton profiles and autocorrelation function of magnesium oxide

M. Causá, R. Dovesi, C. Pisani, and C. Roetti
Phys. Rev. B 34, 2939 – Published 15 August 1986
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Abstract

Calculated Hartree-Fock Compton profiles of magnesium oxide are compared with experimental γ-ray profiles by Aikala et al. [Acta Crystallogr. Sect. A 38, 155 (1982)]. The good quality of the calculated wave function is confirmed. The analysis of the Fourier transform of the Compton profiles supports the hypothesis of the near-complete ionicity of magnesium oxide.

  • Received 7 January 1986

DOI:https://doi.org/10.1103/PhysRevB.34.2939

©1986 American Physical Society

Authors & Affiliations

M. Causá, R. Dovesi, C. Pisani, and C. Roetti

  • Institute of Theoretical Chemistry, University of Turin, via Giuria 5, I-10125 Torino, Italy

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Vol. 34, Iss. 4 — 15 August 1986

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