Geometric Optimization of Restricted-Open and Complete Active Space Self-Consistent Field Wave Functions

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Authors: Laurent Vidal, Tommaso Nottoli, Filippo Lipparini, Eric Cancès

Journal title: The Journal of Physical Chemistry A

Journal number: 128

Journal publisher: American Chemical Society

Published year: 2024

Published pages: 6601-6612

DOI identifier: 10.1021/acs.jpca.4c03213

ISSN: 1089-5639