Molecular Vertical Excitation Energies Studied with First-Order RASSCF (RAS[1,1]): Balancing Covalent and Ionic Excited States

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Authors: Thierry Tran, Javier Segarra-Martí, Michael J. Bearpark, Michael A. Robb

Journal title: The Journal of Physical Chemistry A

Journal number: 123/25

Journal publisher: American Chemical Society

Published year: 2019

Published pages: 5223-5230

DOI identifier: 10.1021/acs.jpca.9b03715

ISSN: 1089-5639