Dispersion corrected density functionals applied to the water naphthalene cluster

MaRDI QIDQ3512097zbMATH OpenFDO

Authors Urs Zimmerli, Michele Parrinello, Petros Koumoutsakos

Publication date 11 July 2008

Mathematics Subject Classification ID

Chemical kinetics in thermodynamics and heat transfer (80A30)

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Cited in

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• Including dispersion interactions in the ONETEP program for linear-scaling density functional theory calculations
• A new hybrid DFT functional -- accurate description of response properties and van der Waals interactions

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