How important are the residual nonadiabatic couplings for an accurate simulation of nonadiabatic quantum dynamics in a quasidiabatic representation?

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Authors: Seonghoon Choi, Jiří Vaníček

Journal title: The Journal of Chemical Physics

Journal number: 154/12

Journal publisher: American Institute of Physics

Published year: 2021

Published pages: 124119

DOI identifier: 10.1063/5.0046067

ISSN: 0021-9606