Format

Send to

Choose Destination
See comment in PubMed Commons below
Phys Rev Lett. 2006 Dec 1;97(22):223002. Epub 2006 Nov 30.

Relevance of the slowly varying electron gas to atoms, molecules, and solids.

Author information

  • 1Department of Physics and Quantum Theory Group, Tulane University, New Orleans, Louisiana 70118, USA.

Abstract

We present a Thomas-Fermi-inspired density scaling under which electron densities of atomic, molecular, or condensed matter become both large and slowly varying, so that semiclassical approximations and second-order density gradient expansions are asymptotically exact for the kinetic and exchange energies. Thus, even for atoms and molecules, density-functional approximations should recover the universal second-order gradient expansions in this limit. We also explain why common generalized gradient approximations for exchange do not.

PubMed Commons home

PubMed Commons

0 comments
How to join PubMed Commons

    Supplemental Content

    Full text links

    Icon for American Physical Society
    Loading ...
    Write to the Help Desk