Robust All-Electron Optimization in Orbital-Free Density-Functional Theory Using the Trust-Region Image Method

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Authors: Matthew S. Ryley, Michael Withnall, Tom J. P. Irons, Trygve Helgaker, Andrew M. Teale

Journal title: The Journal of Physical Chemistry A

Journal number: 125/1

Journal publisher: American Chemical Society

Published year: 2021

Published pages: 459-475

DOI identifier: 10.1021/acs.jpca.0c09502

ISSN: 1089-5639