Versatile van der Waals Density Functional Based on a Meta-Generalized Gradient Approximation
- Authors:
- Publication Date:
- Research Org.:
- Temple Univ., Philadelphia, PA (United States); Energy Frontier Research Centers (EFRC) (United States). Center for the Computational Design of Functional Layered Materials (CCDM)
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- OSTI Identifier:
- 1328724
- Alternate Identifier(s):
- OSTI ID: 1362280; OSTI ID: 1388029
- Grant/Contract Number:
- SC0012575
- Resource Type:
- Published Article
- Journal Name:
- Physical Review. X
- Additional Journal Information:
- Journal Name: Physical Review. X Journal Volume: 6 Journal Issue: 4; Journal ID: ISSN 2160-3308
- Publisher:
- American Physical Society
- Country of Publication:
- United States
- Language:
- English
- Subject:
- 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)
Citation Formats
Peng, Haowei, Yang, Zeng-Hui, Perdew, John P., and Sun, Jianwei. Versatile van der Waals Density Functional Based on a Meta-Generalized Gradient Approximation. United States: N. p., 2016.
Web. doi:10.1103/PhysRevX.6.041005.
Peng, Haowei, Yang, Zeng-Hui, Perdew, John P., & Sun, Jianwei. Versatile van der Waals Density Functional Based on a Meta-Generalized Gradient Approximation. United States. https://doi.org/10.1103/PhysRevX.6.041005
Peng, Haowei, Yang, Zeng-Hui, Perdew, John P., and Sun, Jianwei. Wed .
"Versatile van der Waals Density Functional Based on a Meta-Generalized Gradient Approximation". United States. https://doi.org/10.1103/PhysRevX.6.041005.
@article{osti_1328724,
title = {Versatile van der Waals Density Functional Based on a Meta-Generalized Gradient Approximation},
author = {Peng, Haowei and Yang, Zeng-Hui and Perdew, John P. and Sun, Jianwei},
abstractNote = {},
doi = {10.1103/PhysRevX.6.041005},
journal = {Physical Review. X},
number = 4,
volume = 6,
place = {United States},
year = {Wed Oct 12 00:00:00 EDT 2016},
month = {Wed Oct 12 00:00:00 EDT 2016}
}
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https://doi.org/10.1103/PhysRevX.6.041005
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