Assessing challenging intra‐ and inter‐molecular charge‐transfer excitations energies with double‐hybrid density functionals

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Authors: Éric Brémond, Alistar Ottochian, Ángel José Pérez‐Jiménez, Ilaria Ciofini, Giovanni Scalmani, Michael J. Frisch, Juan Carlos Sancho‐García, Carlo Adamo

Journal title: Journal of Computational Chemistry

Journal number: 42/14

Journal publisher: John Wiley & Sons Inc.

Published year: 2021

Published pages: 970-981

DOI identifier: 10.1002/jcc.26517

ISSN: 0192-8651