A semiclassical Thomas–Fermi model to tune the metallicity of electrodes in molecular simulations

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Authors: Laura Scalfi, Thomas Dufils, Kyle G. Reeves, Benjamin Rotenberg, Mathieu Salanne

Journal title: The Journal of Chemical Physics

Journal number: 153/17

Journal publisher: American Institute of Physics

Published year: 2020

Published pages: 174704

DOI identifier: 10.1063/5.0028232

ISSN: 0021-9606