Multi-scale simulation of the adsorption of lithium ion on graphite surface: From quantum Monte Carlo to molecular density functional theory

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Authors: Michele Ruggeri, Kyle Reeves, Tzu-Yao Hsu, Guillaume Jeanmairet, Mathieu Salanne, Carlo Pierleoni

Journal title: The Journal of Chemical Physics

Journal number: 156

Journal publisher: American Institute of Physics

Published year: 2022

Published pages: 094709

DOI identifier: 10.1063/5.0082944

ISSN: 0021-9606