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Generalized Gradient Approximation Made Simple

John P. Perdew; Kieron Burke; Matthias Ernzerhof · Physical Review Letters · 1996

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Generalized gradient approximations (GGA's) for the exchange-correlation energy improve upon the local spin density (LSD) description of atoms, molecules, and solids. We present a simple derivation of a simple GGA, in which all parameters (other than those in LSD) are fundamental constants. Only general features of the detailed construction underlying the Perdew-Wang 1991 (PW91) GGA are invoked. Improvements over PW91 include an accurate description of the linear response of the uniform electron gas, correct behavior under uniform scaling, and a smoother potential.

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APA 7

Perdew, J. P, Burke, K, & Ernzerhof, M. (1996). Generalized Gradient Approximation Made Simple. https://doi.org/10.1103/physrevlett.77.3865

MLA

Perdew, John P, et al. "Generalized Gradient Approximation Made Simple." 1996. https://doi.org/10.1103/physrevlett.77.3865.

Chicago

Perdew, John P, Kieron Burke, and Matthias Ernzerhof. 1996. "Generalized Gradient Approximation Made Simple.". https://doi.org/10.1103/physrevlett.77.3865.

Harvard

Perdew, J. P, Burke, K. and Ernzerhof, M. 1996, Generalized Gradient Approximation Made Simple, Physical Review Letters, available at: https://doi.org/10.1103/physrevlett.77.3865 [Accessed 8 Aug. 2026].

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Title
Generalized Gradient Approximation Made Simple
Author / contributors
John P. Perdew; Kieron Burke; Matthias Ernzerhof
Publisher
Physical Review Letters
Publication year
1996
Language
English

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