803 citations · 3.1k across the 40 of their papers we have counts for
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Improved proton-transfer barriers with van der Waals density functionals: Role of repulsive non-local correlation
S. Seyedraoufi, Kristian Berland
Proton-transfer (PT) between organic complexes is a common and important biochemical process. Unfortunately, PT energy barriers are difficult to accurately predict using density fu…
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…
Interpretation of van der Waals density functionals
Per Hyldgaard, Kristian Berland, Elsebeth Schröder
The nonlocal correlation energy in the van der Waals density functional (vdW-DF) method [Phys. Rev. Lett. 92, 246401 (2004); Phys. Rev. B 76, 125112 (2007); Phys. Rev. B 89, 035412…
Structure and binding in crystals of cage-like molecules: hexamine and platonic hydrocarbons
Kristian Berland, Per Hyldgaard
In this paper, we show that first-principle calculations using a van der Waals density functional (vdW-DF), [Phys. Rev. Lett. , 246401 (2004)] permits determination of…