PhysicsMedicine

Generalized Gradient Approximation Made Simple.

J. Perdew, K. Burke, M. Ernzerhof

1996.10.28PHYSICAL REVIEW LETTERS

DOI: 10.1103/physrevlett.77.3865

tlooto Summary

A simple derivation of a simple GGA is presented, in which all parameters (other than those in LSD) are fundamental constants, and only general features of the detailed construction underlying the Perdew-Wang 1991 (PW91) GGA are invoked.

Abstract

Abstract is not available.

Citation format

PERDEW, J.; BURKE, K.; ERNZERHOF, M. Generalized gradient approximation made simple. PHYSICAL REVIEW LETTERS, 1996, 77 18: 3865–3868.