Skip to main page content
U.S. flag

An official website of the United States government

Dot gov

The .gov means it’s official.
Federal government websites often end in .gov or .mil. Before sharing sensitive information, make sure you’re on a federal government site.

Https

The site is secure.
The https:// ensures that you are connecting to the official website and that any information you provide is encrypted and transmitted securely.

Access keys NCBI Homepage MyNCBI Homepage Main Content Main Navigation
. 2008 Apr 4;100(13):136406.
doi: 10.1103/PhysRevLett.100.136406. Epub 2008 Apr 4.

Restoring the density-gradient expansion for exchange in solids and surfaces

John P Perdew  1 , Adrienn Ruzsinszky, Gábor I Csonka, Oleg A Vydrov, Gustavo E Scuseria, Lucian A Constantin, Xiaolan Zhou, Kieron Burke
Affiliations

Restoring the density-gradient expansion for exchange in solids and surfaces

John P Perdew et al. Phys Rev Lett. .

Erratum in

  • Phys Rev Lett. 2009 Jan 23;102(3):039902

Abstract

Popular modern generalized gradient approximations are biased toward the description of free-atom energies. Restoration of the first-principles gradient expansion for exchange over a wide range of density gradients eliminates this bias. We introduce a revised Perdew-Burke-Ernzerhof generalized gradient approximation that improves equilibrium properties of densely packed solids and their surfaces.

PubMed Disclaimer

Comment in

Publication types

LinkOut - more resources