Nonlocal van derWaals Density Functional Made Simple
Name
Vydrov-2009-Nonlocal van der Waa.pdf
Size
186.46 KB
Format
Adobe PDF
Checksum (MD5)
5fa98c46f9dd869c2f224127952f4566
Author(s)
Van Voorhis, Troy
Vydrov, Oleg A.
Date Issued
August 2009
Journal
Physical Review Letters
Publisher
American Physical Society
Citation
Vydrov, Oleg A., and Troy Van Voorhis. “Nonlocal van der Waals Density Functional Made Simple.” Physical Review Letters 103.6 (2009): 063004. (C) 2010 The American Physical Society.
Version
Final published version
Abstract
We derive a nonlocal correlation functional that adequately describes van der Waals interactions not only in the asymptotic long-range regime but also at short range. Unlike its precursor, developed by Langreth, Lundqvist, and co-workers, the new functional has a simple analytic form, finite for all interelectron separations, well behaved in the slowly varying density limit, and generalized to spin-polarized systems.
MIT Department
Massachusetts Institute of Technology. Department of Chemistry
Terms of Use
Article is made available in accordance with the publisher's policy and may be subject to US copyright law. Please refer to the publisher's site for terms of use.
Persistent DSpace Link
DOI of Published Version
http://dx.doi.org/10.1103/PhysRevLett.103.063004
