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Title: Versatile van der Waals Density Functional Based on a Meta-Generalized Gradient Approximation

Journal Article · · Physical Review. X
; ; ;

Research Organization:
Temple Univ., Philadelphia, PA (United States); Energy Frontier Research Centers (EFRC) (United States). Center for the Computational Design of Functional Layered Materials (CCDM)
Sponsoring Organization:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
Grant/Contract Number:
SC0012575
OSTI ID:
1328724
Alternate ID(s):
OSTI ID: 1362280; OSTI ID: 1388029
Journal Information:
Physical Review. X, Journal Name: Physical Review. X Vol. 6 Journal Issue: 4; ISSN 2160-3308
Publisher:
American Physical SocietyCopyright Statement
Country of Publication:
United States
Language:
English
Citation Metrics:
Cited by: 446 works
Citation information provided by
Web of Science

References (85)

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Related Subjects

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY
36 MATERIALS SCIENCE
chemical bonding
Van der Waals interaction
graphene
density functional theory
meta-GGA
condensed matter and materials physics
atomic
molecular and optical
catalysis (heterogeneous)
solar (photovoltaic)
energy storage (including batteries and capacitors)
hydrogen and fuel cells
defects
mechanical behavior
materials and chemistry by design
synthesis (novel materials)