Electronic Couplings for Charge Transfer across Molecule/Metal and Molecule/Semiconductor Interfaces: Performance of the Projector Operator-Based Diabatization Approach

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Authors: Zdenek Futera, Jochen Blumberger

Journal title: The Journal of Physical Chemistry C

Journal number: 121/36

Journal publisher: American Chemical Society

Published year: 2017

Published pages: 19677-19689

DOI identifier: 10.1021/acs.jpcc.7b06566

ISSN: 1932-7447