Authors
John P Perdew, Kieron Burke, Matthias Ernzerhof
Publication date
1996/10/28
Journal
Physical review letters
Volume
77
Issue
18
Pages
3865
Publisher
American Physical Society
Description
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.
Total citations
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Scholar articles
JP Perdew, K Burke, M Ernzerhof - Physical review letters, 1996
R Elmér, M Berg, L Carlén, B Jakobsson, B Norén… - Physical Review Letters, 1996
JP Perdew, K Burke, M Ernzerhof - Electronic Structure of Solids, 1991