A spatial restriction method in the theory of many-electron systems. II. The ground state of dielectric crystals

Abstract

The method of spatial restriction, developed in Part I of this work, is used to study crystals consisting of closed-shell atoms and ions. The spatial restriction imposed by permutation relations on the motion of outer shell electrons has been earlier reduced to a zero boundary condition on a spherical surface of radius r0. The r0 values obtained in Part I of this work from the ionization potentials of isolated atoms are used to study 12 alkali halide crystals, with calculated lattice constants differing from the experimental values by less than 2%. Similar calculations are performed for rare-gas crystals, with a pressure dependence of compressibilities in good agreement with experimental data in a wide range of pressures.

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Identifiers

DOI

10.1063/10.0029277

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