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 5.7.1), empirical
atom–atom dispersion potentials (“DFT-D”, Section 5.7.2), the
Becke-Johnson exchange-dipole model (XDM, Section 5.7.3), the
Tkatchenko-Scheffler van der Waals method (TS-vdW, Section 5.7.4), and
finally the many-body dispersion method (MBD, Section 5.7.5).
For a pedagogical introduction to all of these methods, discussing the commonalities
between them, see Ref.
448
Annu. Rep. Comput. Chem.
(2024),
20,
pp. 1.
Link
.