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ID 18803
file
creator
Higuchi, Masahiko
abstract
The exact expression for the exchange-correlation energy functional Exc[ρ,jp] of the current-density functional theory (CDFT) is derived by means of the coupling-constant integration technique. It contains the coupling-constant-averaged pair correlation function, which is a functional of the electron density ρ(r) and paramagnetic current density jp(r). On the basis of this expression, the local density approximation and its modifications for Exc[ρ,jp] are proposed within the CDFT. In addition, we present sum rules and bounds on Exc[ρ,jp] by considering the behaviors of the basic variables and Exc[ρ,jp] under the various types of the nonuniform coordinate scaling of electrons. They are useful in estimating the validity of the approximate forms of Exc[ρ,jp] proposed.
journal title
Physical Review B - Condensed Matter and Materials Physics
volume
Volume 65
issue
Issue 19
start page
195122-1
end page
195122-9
date of issued
2002-05-10
publisher
American Physical Society
issn
1098-0121
ncid
publisher doi
language
eng
nii type
Journal Article
HU type
Journal Articles
DCMI type
text
format
application/pdf
text version
publisher
rights
Copyright (c) 2002 American Physical Society.
relation url
department
Graduate School of Advanced Sciences of Matter