Abstract
Calculated Hartree-Fock Compton profiles of magnesium oxide are compared with experimental -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