A Fermi smearing variant of the Tamm–Dancoff approximation for nonadiabatic dynamics involving S 1 –S 0 transitions: Validation and application to azobenzene

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Authors: Laurens D. M. Peters, Jörg Kussmann, Christian Ochsenfeld

Journal title: The Journal of Chemical Physics

Journal number: 153/9

Journal publisher: American Institute of Physics

Published year: 2020

Published pages: 094104

DOI identifier: 10.1063/5.0016487

ISSN: 0021-9606