Density functional theory augmented with an empirical dispersion term. Interaction energies and geometries of 80 noncovalent complexes compared with ::::ab initio:::: quantum mechanics calculations - researchr publication

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Petr Jurecka, Jirí Cerný, Pavel Hobza, Dennis R. Salahub. Density functional theory augmented with an empirical dispersion term. Interaction energies and geometries of 80 noncovalent complexes compared with ::::ab initio:::: quantum mechanics calculations. Journal of Computational Chemistry, 28(2):555-569, 2007. [doi]

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