46 citations · 171 across the 6 of their papers we have counts for
3 papers · 1 filter
Accurate non-empirical range-separated hybrid van der Waals density functional for complex molecular problems, solids, and surfaces
Vivekanand Shukla, Yang Jiao, Jung-Hoon Lee +3
We introduce a new, general-purpose, range-separated hybrid van der Waals density \ph{functional, termed vdW-DF-ahbr,} within the non-empirical vdW-DF method [JPCM 32, 393001 (2020…
Extent of Fock-exchange mixing for a hybrid van der Waals density functional?
Yang Jiao, Elsebeth Schröder, Per Hyldgaard
The vdW-DF-cx0 exchange-correlation hybrid design has a truly nonlocal correlation component and aims to facilitate concurrent descriptions of both covalent and non-covalent molecu…
Assessment of two hybrid van der Waals density functionals for covalent and non-covalent binding of molecules
Kristian Berland, Yang Jiao, Jung-Hoon Lee +3
Two hybrid van der Waals density functionals (vdW-DFs) are constructed using 25%, Fock exchange with i) the consistent-exchange vdW-DF-cx functional and ii) with the vdW-DF2 functi…