Taylor-mode automatic differentiation for constructing molecular rovibrational Hamiltonian operators

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Authors: Andrey Yachmenev, Emil Vogt, Álvaro Fernández Corral, Yahya Saleh

Journal title: The Journal of Chemical Physics

Journal number: 163

Journal publisher: AIP Publishing

Published year: 2025

DOI identifier: 10.1063/5.0287347

ISSN: 0021-9606