Applicability of the Thawed Gaussian Wavepacket Dynamics to the Calculation of Vibronic Spectra of Molecules with Double-Well Potential Energy Surfaces

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Authors: Tomislav Begušić, Enrico Tapavicza, Jiří Vaníček

Journal title: Journal of Chemical Theory and Computation

Journal publisher: American Chemical Society

Published year: 2022

DOI identifier: 10.1021/acs.jctc.2c00030

ISSN: 1549-9618