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5.7 DFT Methods for van der Waals Interactions

5.7.1 Introduction

(February 4, 2022)

This section describes five different procedures for obtaining a better description of dispersion (van der Waals) interactions in DFT calculations: non-local correlation functionals (Section 5.7.2), empirical atom–atom dispersion potentials (“DFT-D”, Section 5.7.3), the Becke-Johnson exchange-dipole model (XDM, Section 5.7.4), the Tkatchenko-Scheffler van der Waals method (TS-vdW, Section 5.7.5), and finally the many-body dispersion method (MBD, Section 5.7.6).