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• W2002322198 abstract "In previous work (J. Chem. Theory Comput. 2009, 5, 719), we assessed the performance of standard semilocal exchange-correlation density functionals plus the nonempirical dispersion model of Becke and Johnson (J. Chem. Phys. 2007, 127, 154108) on binding energy curves of rare-gas diatomics. The results were encouraging. In this work, we extend our study to 65 intermolecular complexes representing a wide variety of van der Waals interactions including dispersion, hydrogen bonding, electrostatic, and stacking. Comparisons are made with other density-functional methods for van der Waals interactions in the literature." @default.
• W2002322198 created "2016-06-24" @default.
• W2002322198 creator A5011066150 @default.
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• W2002322198 date "2010-03-26" @default.
• W2002322198 modified "2023-09-27" @default.
• W2002322198 title "van der Waals Interactions in Density-Functional Theory: Intermolecular Complexes" @default.
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• W2002322198 doi "https://doi.org/10.1021/ct900699r" @default.
• W2002322198 hasPublicationYear "2010" @default.
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