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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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John P. Perdew
Kieron Burke
Matthias Ernzerhof
Nature's symphony
Physical Review Letters
Tulane University
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Perdew et al. (Mon,) studied this question.
www.synapsesocial.com/papers/6941e061054bc8af78599fdb — DOI: https://doi.org/10.1103/physrevlett.77.3865