Assessment of Approximate Methods for Anharmonic Free Energies
Author:
Affiliation:
1. Laboratory of Computational Science and Modeling, Institut des Matériaux, École Polytechnique Fédérale de Lausanne, 1015 Lausanne, Switzerland
2. Fritz Haber Institute of the Max Planck Society, Faradayweg 4-6, 14195 Berlin, Germany
Funder
Schweizerischer Nationalfonds zur F?rderung der Wissenschaftlichen Forschung
H2020 European Research Council
Publisher
American Chemical Society (ACS)
Subject
Physical and Theoretical Chemistry,Computer Science Applications
Link
https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.9b00596
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1. Reproducibility in density functional theory calculations of solids
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5. Diagrammatic routes to nonlocal correlations beyond dynamical mean field theory
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