12k citations
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Showing cond-mat.mtrl-sciShow all
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cond-mat.mtrl-sci2009
Exchange-Correlation Energy Functional Based on the Airy-Gas Reference System
Lucian A. Constantin, Adrienn Ruzsinszky, John P. Perdew
In recent work, generalized gradient approximations (GGA's) have been constructed from the energy density of the Airy gas for exchange but not for correlation. We report the random…
cond-mat.mtrl-sci2009
Workhorse Semilocal Density Functional for Condensed Matter Physics and Quantum Chemistry
John P. Perdew, Adrienn Ruzsinszky, Gabor I. Csonka +2
Semilocal density functionals for the exchange-correlation energy are needed for large electronic systems. The Tao-Perdew-Staroverov-Scuseria (TPSS) meta-generalized gradient appro…
cond-mat.mtrl-sci2007★ 12k cited
Restoring the density-gradient expansion for exchange in solids and surfaces
John P. Perdew, Adrienn Ruzsinszky, Gabor I. Csonka +5
Successful modern generalized gradient approximations (GGA's) are biased toward atomic energies. Restoration of the first-principles gradient expansion for exchange over a wide ran…