Treatment of Layered Structures Using a Semilocal meta-GGA Density Functional
Author:
Affiliation:
1. ICAMS, Ruhr Universität Bochum, Germany
2. Interdisciplinary Nanoscience Center (iNANO) and Department of Physics and Astronomy, Aarhus University, DK-8000 Aarhus C, Denmark
Publisher
American Chemical Society (ACS)
Subject
General Materials Science,Physical and Theoretical Chemistry
Link
https://pubs.acs.org/doi/pdf/10.1021/jz9002422
Reference27 articles.
1. First-principles determination of the structural, vibrational and thermodynamic properties of diamond, graphite, and derivatives
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4. Quantum mechanical correlation functions, maximum entropy analytic continuation, and ring polymer molecular dynamics
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