Accurate Nonempirical Range-Separated Hybrid van der Waals Density Functional for Complex Molecular Problems, Solids, and Surfaces
Journal article, 2022
Author
Vivekanand Shukla
Chalmers, Microtechnology and Nanoscience (MC2), Electronics Material and Systems
Yang Jiao
Chalmers, Microtechnology and Nanoscience (MC2), Electronics Material and Systems
Jung-Hoon Lee
Lawrence Berkeley National Laboratory
Korea Institute of Science and Technology (KITECH)
Elsebeth Schröder
Chalmers, Microtechnology and Nanoscience (MC2), Quantum Device Physics
Jeffrey B. Neaton
Lawrence Berkeley National Laboratory
Kavli Energy NanoSciences Institute
University of California at Berkeley
Per Hyldgaard
Chalmers, Microtechnology and Nanoscience (MC2), Electronics Material and Systems
Physical Review X
21603308 (eISSN)
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Driving Forces
Sustainable development
Areas of Advance
Nanoscience and Nanotechnology
Production
Energy
Life Science Engineering (2010-2018)
Materials Science
Subject Categories
Physical Chemistry
Other Physics Topics
Theoretical Chemistry
Condensed Matter Physics
Roots
Basic sciences
Infrastructure
C3SE (Chalmers Centre for Computational Science and Engineering)
DOI
10.1103/PhysRevX.12.041003