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Title: Density-functional energy gaps of solids demystified

Abstract

Not provided.

Authors:
;
Publication Date:
Research Org.:
Energy Frontier Research Centers (EFRC) (United States). Center for Complex Materials from First Principles (CCM); Temple Univ., Philadelphia, PA (United States)
Sponsoring Org.:
USDOE Office of Science (SC)
OSTI Identifier:
1541757
DOE Contract Number:  
SC0012575
Resource Type:
Journal Article
Journal Name:
European Physical Journal. B, Condensed Matter and Complex Systems
Additional Journal Information:
Journal Volume: 91; Journal Issue: 6; Journal ID: ISSN 1434-6028
Publisher:
Springer
Country of Publication:
United States
Language:
English
Subject:
Physics

Citation Formats

Perdew, John P., and Ruzsinszky, Adrienn. Density-functional energy gaps of solids demystified. United States: N. p., 2018. Web. doi:10.1140/epjb/e2018-90083-y.
Perdew, John P., & Ruzsinszky, Adrienn. Density-functional energy gaps of solids demystified. United States. doi:10.1140/epjb/e2018-90083-y.
Perdew, John P., and Ruzsinszky, Adrienn. Fri . "Density-functional energy gaps of solids demystified". United States. doi:10.1140/epjb/e2018-90083-y.
@article{osti_1541757,
title = {Density-functional energy gaps of solids demystified},
author = {Perdew, John P. and Ruzsinszky, Adrienn},
abstractNote = {Not provided.},
doi = {10.1140/epjb/e2018-90083-y},
journal = {European Physical Journal. B, Condensed Matter and Complex Systems},
issn = {1434-6028},
number = 6,
volume = 91,
place = {United States},
year = {2018},
month = {6}
}

Works referenced in this record:

Self-Consistent Equations Including Exchange and Correlation Effects
journal, November 1965


Generalized Gradient Approximation Made Simple
journal, October 1996

  • Perdew, John P.; Burke, Kieron; Ernzerhof, Matthias
  • Physical Review Letters, Vol. 77, Issue 18, p. 3865-3868
  • DOI: 10.1103/PhysRevLett.77.3865

Density‐functional thermochemistry. III. The role of exact exchange
journal, April 1993

  • Becke, Axel D.
  • The Journal of Chemical Physics, Vol. 98, Issue 7, p. 5648-5652
  • DOI: 10.1063/1.464913

Rationale for mixing exact exchange with density functional approximations
journal, December 1996

  • Perdew, John P.; Ernzerhof, Matthias; Burke, Kieron
  • The Journal of Chemical Physics, Vol. 105, Issue 22, p. 9982-9985
  • DOI: 10.1063/1.472933