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Publication Detail
Atom-centered potentials to describe dispersion forces in density functional theory
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Publication Type:Conference
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Authors:Lin I-C, Roethlisberger U
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Publisher:SWISS CHEMICAL SOC
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Publication date:01/01/2008
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Pagination:231, 234
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Published proceedings:CHIMIA
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Volume:62
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Issue:4
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Status:Published
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Name of conference:Fall Meeting of the Swiss-Chemical-Society
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Conference place:Lausanne, SWITZERLAND
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Conference start date:12/09/2007
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Print ISSN:0009-4293
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Language:English
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Keywords:Science & Technology, Physical Sciences, Chemistry, Multidisciplinary, Chemistry, density functional theory, dispersion forces, dispersion-corrected atom-centered potentials, GENERALIZED GRADIENT APPROXIMATION, DER-WAALS INTERACTION, INTERACTION ENERGIES, ACCURATE DESCRIPTION, DIATOMIC-MOLECULES, COMPLEXES, EXCHANGE, DFT
Abstract
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