skip to main content
OSTI.GOV title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Derivative discontinuity and exchange-correlation potential of meta-GGAs in density-functional theory

Authors:
 [1];  [2]
  1. Department of Physics, University of Missouri-Columbia, Columbia, Missouri 65211, USA
  2. International School for Advanced Studies (SISSA), via Bonomea 265, 34136 Trieste, Italy
Publication Date:
Sponsoring Org.:
USDOE
OSTI Identifier:
1226593
Grant/Contract Number:  
FG02-05ER46203
Resource Type:
Journal Article: Publisher's Accepted Manuscript
Journal Name:
The Journal of Chemical Physics
Additional Journal Information:
Journal Name: The Journal of Chemical Physics Journal Volume: 141 Journal Issue: 22; Journal ID: ISSN 0021-9606
Publisher:
American Institute of Physics
Country of Publication:
United States
Language:
English

Citation Formats

Eich, F. G., and Hellgren, Maria. Derivative discontinuity and exchange-correlation potential of meta-GGAs in density-functional theory. United States: N. p., 2014. Web. doi:10.1063/1.4903273.
Eich, F. G., & Hellgren, Maria. Derivative discontinuity and exchange-correlation potential of meta-GGAs in density-functional theory. United States. doi:10.1063/1.4903273.
Eich, F. G., and Hellgren, Maria. Tue . "Derivative discontinuity and exchange-correlation potential of meta-GGAs in density-functional theory". United States. doi:10.1063/1.4903273.
@article{osti_1226593,
title = {Derivative discontinuity and exchange-correlation potential of meta-GGAs in density-functional theory},
author = {Eich, F. G. and Hellgren, Maria},
abstractNote = {},
doi = {10.1063/1.4903273},
journal = {The Journal of Chemical Physics},
number = 22,
volume = 141,
place = {United States},
year = {Tue Dec 09 00:00:00 EST 2014},
month = {Tue Dec 09 00:00:00 EST 2014}
}

Journal Article:
Free Publicly Available Full Text
Publisher's Version of Record at 10.1063/1.4903273

Citation Metrics:
Cited by: 7 works
Citation information provided by
Web of Science

Save / Share:

Works referenced in this record:

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

A new local density functional for main-group thermochemistry, transition metal bonding, thermochemical kinetics, and noncovalent interactions
journal, November 2006

  • Zhao, Yan; Truhlar, Donald G.
  • The Journal of Chemical Physics, Vol. 125, Issue 19, Article No. 194101
  • DOI: 10.1063/1.2370993

Accurate and simple analytic representation of the electron-gas correlation energy
journal, June 1992


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