• Publications
  • Influence
Generalized Gradient Approximation Made Simple.
TLDR
A simple derivation of a simple GGA is presented, in which all parameters (other than those in LSD) are fundamental constants, and only general features of the detailed construction underlying the Perdew-Wang 1991 (PW91) GGA are invoked. Expand
Accurate and simple analytic representation of the electron-gas correlation energy.
  • Perdew, Wang
  • Physics, Medicine
  • Physical review. B, Condensed matter
  • 15 June 1992
TLDR
A simple analytic representation of the correlation energy for a uniform electron gas, as a function of density parameter and relative spin polarization \ensuremath{\zeta}, which confirms the practical accuracy of the VWN and PZ representations and eliminates some minor problems. Expand
Atoms, molecules, solids, and surfaces: Applications of the generalized gradient approximation for exchange and correlation.
  • Perdew, Chevary, +4 authors Fiolhais
  • Physics, Medicine
  • Physical review. B, Condensed matter
  • 15 September 1992
TLDR
A way is found to visualize and understand the nonlocality of exchange and correlation, its origins, and its physical effects as well as significant interconfigurational and interterm errors remain. Expand
Density-functional approximation for the correlation energy of the inhomogeneous electron gas.
  • Perdew
  • Physics, Medicine
  • Physical review. B, Condensed matter
  • 15 June 1986
TLDR
Numerical results for atoms, positive ions, and surfaces are close to the exact correlation energies, with major improvements over the original LM approximation for the ions and surfaces. Expand
Generalized gradient approximation for the exchange-correlation hole of a many-electron system.
  • Perdew, Burke, Wang
  • Physics, Medicine
  • Physical review. B, Condensed matter
  • 15 December 1996
TLDR
The hole model provides a more detailed test of these energy functionals, and also predicts the observable electron-electron structure factor. Expand
Accurate and simple density functional for the electronic exchange energy: Generalized gradient approximation.
  • Perdew, Yue
  • Physics, Medicine
  • Physical review. B, Condensed matter
  • 15 June 1986
TLDR
Improvements over other simple functionals are also found in the exchange contributions to the valence-shell removal energy of an atom and to the surface energy of jellium within the infinite barrier model. Expand
Erratum: Atoms, molecules, solids, and surfaces: Applications of the generalized gradient approximation for exchange and correlation
  • Perdew, Chevary, +4 authors Fiolhais
  • Materials Science, Medicine
  • Physical review. B, Condensed matter
  • 1 August 1993
Correlation hole of the spin-polarized electron gas, with exact small-wave-vector and high-density scaling.
  • Wang, Perdew
  • Materials Science, Medicine
  • Physical review. B, Condensed matter
  • 15 December 1991
Erratum: Density-functional approximation for the correlation energy of the inhomogeneous electron gas
  • Perdew
  • Physics, Medicine
  • Physical review. B, Condensed matter
  • 1 November 1986
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