Numerical Equivalence of Diabatic and Adiabatic Representations in Diatomic Molecules

Summary

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Authors: Ryan P. Brady, Charlie Drury, Sergei N. Yurchenko, Jonathan Tennyson

Journal title: Journal of Chemical Theory and Computation

Journal number: 20

Journal publisher: American Chemical Society

Published year: 2024

Published pages: 2127-2139

DOI identifier: 10.1021/acs.jctc.3c01150

ISSN: 1549-9618