activity
20172022
most citedAssessment of two hybrid van der Waals density functionals for covalent and non-covalent binding of molecules

46 citations · 171 across the 6 of their papers we have counts for

collaborators
Showing 2021 · cond-mat.mtrl-sciShow all

1 paper · 2 filters

cond-mat.mtrl-sci2021★ 16 cited

vdW-DF-ahcx: a range-separated van der Waals density functional hybrid

Vivekanand Shukla, Yang Jiao, Carl Frostenson +1

Hybrid density functionals replace a fraction of an underlying generalized-gradient approximation (GGA) exchange description with a Fock-exchange component. Range-separated hybrids…