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The bonding charge density in MgO is analyzed by the fitting of Slater-orbital expressions to the muffin-tin charge density derived in a self-consistent electronic-structure calculation. The ion densities that result suggest that a fully ionic bonding model is appropriate. Pair potentials, derived with the use of the Gordon-Kim method, are employed in the quasi-harmonic approximation to calculate an equation of state and other properties of MgO. The results are analyzed in the light of previous similar calculations for alkali halides.
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L. L. Boyer (1983) studied this question.
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