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DOI: 10.1103/physrevlett.77.3865
OpenAccess: Closed
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Generalized Gradient Approximation Made Simple
John P. Perdew,Kieron Burke,Matthias Ernzerhof
Simple (philosophy)
Scaling
Statistical physics
1996
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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“Generalized Gradient Approximation Made Simple” is a paper by John P. Perdew Kieron Burke Matthias Ernzerhof published in 1996. It has an Open Access status of “closed”. You can read and download a PDF Full Text of this paper here.