From Kohn–Sham to Many-Electron Energies via Step Structures in the Exchange-Correlation Potential

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Authors: Eli Kraisler, M. J. P. Hodgson, E. K. U. Gross

Journal title: Journal of Chemical Theory and Computation

Journal number: 17/3

Journal publisher: American Chemical Society

Published year: 2021

Published pages: 1390-1407

DOI identifier: 10.1021/acs.jctc.0c01093

ISSN: 1549-9618