Systematic study of the effect of HSE functional internal parameters on the electronic structure and band gap of a representative set of metal oxides

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Authors: Francesc Viñes, Oriol Lamiel-García, Kyoung Chul Ko, Jin Yong Lee, Francesc Illas

Journal title: Journal of Computational Chemistry

Journal number: 38/11

Journal publisher: John Wiley & Sons Inc.

Published year: 2017

Published pages: 781-789

DOI identifier: 10.1002/jcc.24744

ISSN: 0192-8651