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• W2003200682 abstract "The recent nonlocal correlation functional of Vydrov and van Voorhis [J. Chem. Phys. 133, 244103 (2010)] is investigated and two new versions of the functional are suggested as being appropriate for describing van der Waals interactions in solids. A refitting of the original functional is demonstrated to result in very accurate interlayer binding energies for weakly bonded layered solids. A VV10 functional based on the generalized gradient approximation by Armiento and Mattsson [Phys. Rev. B 72, 085108 (2005)], while performing slightly worse for interlayer binding, is highly successful in describing the equilibrium geometries of both weakly bonded and close packed solids." @default.
• W2003200682 created "2016-06-24" @default.
• W2003200682 creator A5001399484 @default.
• W2003200682 date "2012-10-08" @default.
• W2003200682 modified "2023-09-27" @default.
• W2003200682 title "van der Waals density functional for solids" @default.
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• W2003200682 doi "https://doi.org/10.1103/physrevb.86.165109" @default.
• W2003200682 hasPublicationYear "2012" @default.
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