The behaviour under pressure of the real-space distribution of the electronic charge density of lithium hydride is determined from first principles using the density functional theory, with norm-conserving pseudopotentials and Ceperley-Alder exchange. The influence of zero-point vibrations on the ground-state properties is discussed. The integrated charges surrounding Li and H is determined quantitatively and studied as a function of pressure.
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Rodriguez et al. (1989) studied this question.
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