A New Strategy to Optimize Complex Absorbing Potentials for the Computation of Resonance Energies and Widths

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Authors: Jerryman A. Gyamfi, Thomas-C. Jagau

Journal title: Journal of Chemical Theory and Computation

Journal number: 20

Journal publisher: American Chemical Society

Published year: 2024

Published pages: 1096-1107

DOI identifier: 10.1021/acs.jctc.3c01039

ISSN: 1549-9618