Equivariant representations for molecular Hamiltonians and N-center atomic-scale properties

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Authors: Jigyasa Nigam; Michael J. Willatt; Michele Ceriotti

Journal title: Chemical Physics

Journal number: 1

Journal publisher: American Institute of Physics

Published year: 2022

Published pages: 156(1), 014115 (2022)

DOI identifier: 10.1063/5.0072784

ISSN: 0021-9606