Journal
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY
Volume 101, Issue 6, Pages 666-670Publisher
WILEY-BLACKWELL
DOI: 10.1002/qua.20324
Keywords
computational physics; density functional theory; dielectric susceptibilities; exchange and correlation functionals; modern theory of polarization
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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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