Publication

Density functional theory with finite electric field

Alfredo Pasquarello, Paolo Umari
2005
Journal Articles

Abstract

The method for treating finite electric fields within periodic boundary conditions is used to formally define a density functional depending on the electric field. An exchange and correlation energy functional depending on the electric field is introduced and related to the functional at zero field by a formal expansion with respect to the field. (C) 2004 Wiley Periodicals, Inc.

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Density functional theory with finite electric field

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