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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

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Showing cond-mat.mtrl-sciShow all

2 papers · 1 filter

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…

cond-mat.mtrl-sci2019★ 45 cited

Screening nature of the van der Waals density functional method: A review and analysis of the many-body physics foundation

Per Hyldgaard, Yang Jiao, Vivekanand Shukla

We review the screening nature and many-body physics foundation of the van der Waals density functional (vdW-DF) method, a systematic approach to construct truly nonlocal exchange-…