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Van der Waals density functional: An appropriate exchange functional

✍ Scribed by Cooper, Valentino R.

Book ID: 119955568
Publisher: The American Physical Society
Year: 2010
Tongue: English
Weight: 110 KB
Volume: 81
Category: Article
ISSN: 1098-0121
DOI: 10.1103/PhysRevB.81.161104

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The van der Waals vdW or dispersion interaction between distant sections of a molecular or condensed matter system contributes part of the correlation energy. This dispersion part is missed, or is given at best unreliably, by the usual local and gradient functionals for the exchange᎐correlation ener