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Temperature-Dependent Approach to Electronic...
Journal article

Temperature-Dependent Approach to Electronic Charge Transfer

Abstract

A charge transfer model is developed within the framework of the grand canonical ensemble through the analysis of the behavior of the fractional charge as a function of the chemical potential of the bath when the temperature and the external chemical potential are kept fixed. Departing from the fact that, before the interaction between two species, each one has a zero fractional charge, one can identify two situations after the interaction …

Authors

Franco-Pérez M; Gázquez JL; Ayers PW; Vela A

Journal

The Journal of Physical Chemistry A, Vol. 124, No. 26, pp. 5465–5473

Publisher

American Chemical Society (ACS)

Publication Date

July 2, 2020

DOI

10.1021/acs.jpca.0c02496

ISSN

1089-5639