Efficient basis sets for non-covalent interactions in XDM-corrected density-functional theory

From National Research Council Canada

DOIResolve DOI: https://doi.org/10.1063/1.4832325
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Affiliation
  1. National Research Council of Canada. National Institute for Nanotechnology
FormatText, Article
Subjectbasis sets; density change; development and applications; diffuse functions; dispersion modeling; large system; non-covalent interaction; density functional theory; dispersions; polarization; benchmarking
Abstract
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LanguageEnglish
Peer reviewedYes
NPARC number21270946
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Record identifier95814015-c066-48be-96a5-84bbb6b95803
Record created2014-02-18
Record modified2020-04-22
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