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• W2014306514 abstract "Parameters for analytical dispersion-corrected atom-centered potentials (DCACPs) are presented to improve the description of London dispersion forces within the generalized gradient approximation functionals BLYP, BP, and PBE. A library of DCACPs for hydrogen, carbon, nitrogen, oxygen, helium, neon, argon, and krypton was obtained by calibrating against high-level CCSD(T) or configuration interaction references. The performance and transferability of DCACPs were tested on weakly bound complexes and provide excellent results throughout all investigated systems." @default.
• W2014306514 created "2016-06-24" @default.
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• W2014306514 date "2007-05-31" @default.
• W2014306514 modified "2023-09-30" @default.
• W2014306514 title "Library of dispersion-corrected atom-centered potentials for generalized gradient approximation functionals: Elements H, C, N, O, He, Ne, Ar, and Kr" @default.
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• W2014306514 doi "https://doi.org/10.1103/physrevb.75.205131" @default.
• W2014306514 hasPublicationYear "2007" @default.
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