Evaluating the harmonic approximation for the prediction of thermodynamic formation properties of solids

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Authors: Rasmus Fromsejer; Bjørn Maribo-Mogensen; Georgios M. Kontogeorgis; Xiaodong Liang

Journal title: Computational Materials Science

Journal number: Volume 223, 25 April 2023

Journal publisher: Elsevier

Published year: 2023

Published pages: 112152

DOI identifier: 10.1016/j.commatsci.2023.112152

ISSN: 1879-0801