Sum rules and bounds on the exchange and correlation energy functional of current-density functional theory
Use this link to cite this item : https://ir.lib.hiroshima-u.ac.jp/00018803
ID | 18803 |
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creator |
Higuchi, Masahiko
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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.
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journal title |
Physical Review B - Condensed Matter and Materials Physics
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volume | Volume 65
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issue | Issue 19
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start page | 195122-1
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end page | 195122-9
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date of issued | 2002-05-10
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publisher | American Physical Society
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issn | 1098-0121
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publisher doi | |
language |
eng
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nii type |
Journal Article
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HU type |
Journal Articles
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DCMI type | text
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format | application/pdf
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text version | publisher
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rights | Copyright (c) 2002 American Physical Society.
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relation url | |
department |
Graduate School of Advanced Sciences of Matter
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