Coupled-cluster treatment of complex open-shell systems: the case of single-molecule magnets

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Authors: Maristella Alessio, Garrette Pauley Paran, Cansu Utku, Andreas Grüneis, Thomas-C. Jagau

Journal title: Physical Chemistry Chemical Physics

Journal number: 26

Journal publisher: Royal Society of Chemistry

Published year: 2024

Published pages: 17028-17041

DOI identifier: 10.1039/d4cp01129e

ISSN: 1463-9076