23 citations · 39 across the 2 of their papers we have counts for
6 papers
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…
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…
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-…
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…
Energy scaling law for nanostructured materials
Jianmin Tao, Yang Jiao, Yuxiang Mo +4
The equilibrium binding energy is an important factor in the design of materials and devices. However, it presents great computational challenges for materials built up from nanost…
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…