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

2); (2) University of Illinois at Urbana-Champaign); Gerardo Ortiz (1; Ivo Souza (2); Los Alamos National Laboratory; Richard M. Martin (2) ((1) Theoretical Division

arxiv: cond-mat/9709067 · v1 · submitted 1997-09-05 · ❄️ cond-mat

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

Gerardo Ortiz (1 , 2) , Ivo Souza (2) , Richard M. Martin (2) ((1) Theoretical Division , Los Alamos National Laboratory , (2) University of Illinois at Urbana-Champaign) This is my paper

classification ❄️ cond-mat

keywords exchange-correlationdensityholepolarizedalonebulkcharacterizeddetermined

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

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