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Dispersion XDM with Hybrid Functionals: Delocalization Error and Halogen Bonding in Molecular Crystals
(American Chemical Society, 2019-08-01)
What is “many-body” dispersion and should I worry about it?
(Royal Society of Chemistry, 2020-04-06)
Analysis of Density-Functional Errors for Noncovalent Interactions between Charged Molecules
(American Chemical Society, 2019-12-17)
Asymptotic Pairwise Dispersion Corrections Can Describe Layered Materials Accurately
(American Chemical Society, 2020-03-02)
Application of XDM to ionic solids: the importance of dispersion for bulk moduli and crystal geometries
(American Institute of Physics, 2020-08-06)
A Density-Functional Benchmark of Vibrational Free-Energy Corrections for Molecular Crystal Polymorphism (Preprint)
(American Institute of Physics, 2022-03-15)