Assessment of two hybrid van der Waals density functionals for covalent and non-covalent binding of molecules
Journal article, 2017
Pseudopotentials
Dispersion Corrections
Exact Exchange
Thermochemistry
Solids
Database
Electron-Gas
Correlation-Energy
Model
Author
Kristian Berland
University of Oslo
Yang Jiao
Chalmers, Microtechnology and Nanoscience (MC2), Electronics Material and Systems
J. H. Lee
University of California
Lawrence Berkeley National Laboratory
T. Rangel
University of California
Lawrence Berkeley National Laboratory
J. B. Neaton
Lawrence Berkeley National Laboratory
University of California
Kavli Energy NanoSciences Institute
Per Hyldgaard
Chalmers, Microtechnology and Nanoscience (MC2), Electronics Material and Systems
Journal of Chemical Physics
0021-9606 (ISSN) 1089-7690 (eISSN)
Vol. 146 23 234106Driving Forces
Sustainable development
Innovation and entrepreneurship
Areas of Advance
Nanoscience and Nanotechnology
Production
Energy
Materials Science
Roots
Basic sciences
Infrastructure
C3SE (Chalmers Centre for Computational Science and Engineering)
Subject Categories
Atom and Molecular Physics and Optics
DOI
10.1063/1.4986522