Fast and accurate excited states predictions: Machine learning and diabatization

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Authors: Štěpán Sršeň, O. Anatole von Lilienfeld, Petr Slavicek

Journal title: Physical Chemistry Chemical Physics

Journal publisher: Royal Society of Chemistry

Published year: 2023

DOI identifier: 10.26434/chemrxiv-2023-9pxq1

ISSN: 1463-9076