We propose a generalized gradient approximation (GGA) for the angle- and system-averaged exchange-correlation hole of a many-electron system. This hole, which satisfies known exact constraints, recovers the PBEsol (Perdew-Burke-Ernzerhof for solids) exchange-correlation energy functional, a GGA that accurately describes the equilibrium properties of densely packed solids and their surfaces. We find that our PBEsol exchange-correlation hole describes the wavevector analysis of the jellium exchange-correlation surface energy in agreement with a sophisticated time-dependent density-functional calculation (whose three-dimensional wavevector analysis we report here).
@article{arxiv.0901.3871,
title = {Exchange-Correlation Hole of a Generalized Gradient Approximation for Solids and Surfaces},
author = {Lucian A. Constantin and John P. Perdew and J. M. Pitarke},
journal= {arXiv preprint arXiv:0901.3871},
year = {2009}
}