LUSE VDW: Difference between revisions
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==Related tags and articles== | ==Related tags and articles== | ||
Most details are covered in {{TAG|Nonlocal van der Waals density functionals}} | Most details are covered in {{TAG|Nonlocal van der Waals density functionals}}. | ||
see also the alternative pair and many body dispersion corrections: {{TAG|IVDW}}, {{TAG|LVDW}} | see also the alternative pair and many body dispersion corrections: {{TAG|IVDW}}, {{TAG|LVDW}} | ||
Revision as of 19:13, 8 April 2022
LUSE_VDW = [logical]
Default: LUSE_VDW = .FALSE.
Description: The tag LUSE_VDW=.TRUE. switches on vdW-DF functionals. These are functionals that depend on the density at two points in space and model long range Van der Waals like correlation effects.
For gradient corrected functionals, generally variants of the VdW-DF functional of Langreth and Lundqvist et al. are used, whereas for SCAN and RSCAN, the rVV10 vdW-DF functionals are selected instead of the variants of Langreth and Lundqvist. The section linked above explains both variants.
Related tags and articles
Most details are covered in Nonlocal van der Waals density functionals.
see also the alternative pair and many body dispersion corrections: IVDW, LVDW