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Erratum: Accurate and simple density functional for the electronic exchange energy: Generalized gradient approximation [Phys. Rev. B 33, 8800 (1986)]

John P. Perdew, +1 more
- 01 Aug 1989 - 
- Vol. 40, Iss: 5, pp 3399
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This article is published in Physical Review B.The article was published on 1989-08-01. It has received 179 citations till now.

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Perspective: Fifty years of density-functional theory in chemical physics

Axel D. Becke
- 01 Apr 2014 - 
TL;DR: This Perspective outlines the history, basic concepts, and present status of KS-DFT in chemical physics, and offers suggestions for its future development.
Journal ArticleDOI

Orbital-dependent density functionals: Theory and applications

Stephan Kümmel, +1 more
- 02 Jan 2008 - 
TL;DR: In this article, the authors provide a perspective on the use of orbital-dependent functionals, which is currently considered one of the most promising avenues in modern density-functional theory.
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Bulk properties and electronic structure of SrTiO3, BaTiO3, PbTiO3 perovskites: an ab initio HF/DFT study

Sergei Piskunov, +3 more
- 01 Feb 2004 - 
TL;DR: In this article, the results of detailed calculations for bulk properties and the electronic structure of the cubic phase of the perovskite crystals with detailed optimization of basis set (BS) are discussed.
Journal ArticleDOI

Localization of Dirac Electrons in Rotated Graphene Bilayers

G. Trambly de Laissardière, +2 more
- 10 Mar 2010 - 
TL;DR: In this paper, the wave function of Dirac electrons can be localized in rotated graphene bilayers due to the Moire pattern, and this localization is maximum in the limit of the small rotation angle between the two layers.
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Comprehensive Benchmarking of a Density-Dependent Dispersion Correction.

Stephan N. Steinmann, +1 more
- 18 Oct 2011 - 
TL;DR: dDsC, presented herein, is constructed from dispersion coefficients computed on the basis of a generalized gradient approximation to Becke and Johnson's exchange-hole dipole moment formalism, making the approach especially valuable for modeling redox reactions and charged species in general.
Related Papers (5)

Accurate and simple analytic representation of the electron-gas correlation energy

John P. Perdew, +1 more
- 15 Jun 1992 - 

Density‐functional thermochemistry. III. The role of exact exchange

Axel D. Becke
- 01 Apr 1993 - 

Development of the Colle-Salvetti correlation-energy formula into a functional of the electron density

Chengteh Lee, +2 more
- 15 Jan 1988 - 

Density-functional exchange-energy approximation with correct asymptotic behavior.

Axel D. Becke
- 15 Sep 1988 - 

Generalized Gradient Approximation Made Simple

John P. Perdew, +2 more
- 28 Oct 1996 -