Nonlocal van derWaals Density Functional Made Simple
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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.
Date issued
2009-08Department
Massachusetts Institute of Technology. Department of ChemistryJournal
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
ISSN
0031-9007