Part G Density Functional Theory and MD SimulationsNo Access

KOHN-SHAM CALCULATIONS COMBINED WITH AN AVERAGE PAIR-DENSITY FUNCTIONAL THEORY

Laboratoire de Chimie Théorique, CNRS UMR7616, Université Pierre et Marie Curie, 4 Place, Jussieu, F-75252 Paris, France

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and

A. SAVIN

Laboratoire de Chimie Théorique, CNRS UMR7616, Université Pierre et Marie Curie, 4 Place, Jussieu, F-75252 Paris, France

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https://doi.org/10.1142/S0217979207043804Cited by:5 (Source: Crossref)

Abstract

A recently developed formalism in which Kohn-Sham calculations are combined with an "average pair density functional theory" is reviewed, and some new properties of the effective electron-electron interaction entering in this formalism are derived. A preliminary construction of a fully self-consitent scheme is also presented in this framework.

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