Introductory lecture: when the density of the noninteracting reference system is not the density of the physical system in density functional theory-Reference-Cited by-同舟云学术

Introductory lecture: when the density of the noninteracting reference system is not the density of the physical system in density functional theory

Published:2020 Issue: Volume:224 Page:9-26
ISSN:1359-6640
Container-title:Faraday Discussions
language:en
Short-container-title:Faraday Discuss.

Author:

Jin Ye¹²³⁴,Su Neil Qiang¹²³⁴^ORCID,Chen Zehua¹²³⁴,Yang Weitao¹²³⁴⁵^ORCID

Affiliation:

1. Department of Chemistry

2. Duke University

3. Durham

4. USA

5. Department of Physics

Abstract

We develop expressions for electron density defined through the linear response for general density functional approximations, demonstrating results for orbital functionals and for many-body perturbation theory, and explore the connections to developments in DFT.

Funder

U.S. Department of Energy

National Institutes of Health

National Science Foundation

Duke University

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry

Link

http://pubs.rsc.org/en/content/articlepdf/2020/FD/D0FD00102C

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