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Chemical accuracy for the van der Waals density functional

✍ Scribed by Klimeš, Jiří; Bowler, David R; Michaelides, Angelos


Book ID
119970763
Publisher
Institute of Physics
Year
2009
Tongue
English
Weight
268 KB
Volume
22
Category
Article
ISSN
0953-8984

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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