VdW-DF-ahcx: A range-separated van der Waals density functional hybrid
Journal article, 2022
noble-metal adsorption
range-separated hybrid density functional theory
bulk testing
van der Waals
vdW-DF method
molecular benchmarks
Author
Vivekanand Shukla
Chalmers, Microtechnology and Nanoscience (MC2), Electronics Material and Systems
Yang Jiao
Chalmers, Microtechnology and Nanoscience (MC2), Electronics Material and Systems
Carl Mikael Frostenson
Chalmers, Microtechnology and Nanoscience (MC2), Electronics Material and Systems
Per Hyldgaard
Chalmers, Microtechnology and Nanoscience (MC2), Electronics Material and Systems
Journal of Physics Condensed Matter
0953-8984 (ISSN) 1361-648X (eISSN)
Vol. 34 2 025902Areas of Advance
Production
Energy
Materials Science
Roots
Basic sciences
Infrastructure
C3SE (Chalmers Centre for Computational Science and Engineering)
Subject Categories
Other Chemistry Topics
Theoretical Chemistry
Condensed Matter Physics
DOI
10.1088/1361-648X/ac2ad2
PubMed
34584024