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Exchange-Correlation Hole in Polarized Insulators: Implications for the Microscopic Functional Theory of Dielectrics

Gerardo Ortiz·Ivo Souza·Richard M. Martin
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Abstract

We present a simple and direct proof that the exchange-correlation hole, and therefore the exchange-correlation energy, in a polarized insulator is not determined by the bulk density alone. It is uniquely characterized by the density and the macroscopic electric polarization of the dielectric medium.

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Gerardo Ortiz, Ivo Souza, Richard M. Martin. 1997-09-05. Exchange-Correlation Hole in Polarized Insulators: Implications for the Microscopic Functional Theory of Dielectrics. https://doi.org/10.1103/physrevlett.80.353

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