4.8 Article

Nonlocal van der Waals Density Functional Made Simple

Journal

PHYSICAL REVIEW LETTERS
Volume 103, Issue 6, Pages -

Publisher

AMER PHYSICAL SOC
DOI: 10.1103/PhysRevLett.103.063004

Keywords

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Funding

  1. NSF CAREER [CHE-0547877]
  2. Packard Foundation

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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.

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