Sampling effects in quantum mechanical/molecular mechanics trajectory surface hopping non-adiabatic dynamics

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Authors: Davide Avagliano; Emilio Lorini; Leticia González

Journal title: Philosophical Transactions of the Royal Society A: Mathematical, Physical and Engineering Sciences

Journal number: Volume 380/ issue 2223

Journal publisher: Royal Society of London

Published year: 2022

DOI identifier: 10.1098/rsta.2020.0381

ISSN: 1364-503X