An efficient way to model complex magnetite: Assessment of SCC-DFTB against DFT

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Authors: Hongsheng Liu, Gotthard Seifert, Cristiana Di Valentin

Journal title: The Journal of Chemical Physics

Journal number: 150/9

Journal publisher: American Institute of Physics

Published year: 2019

Published pages: 094703

DOI identifier: 10.1063/1.5085190

ISSN: 0021-9606