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

Titel:: Electronic Couplings for Charge Transfer across Molecule/Metal and Molecule/Semiconductor Interfaces: Performance of the Projector Operator-Based Diabatization Approach
Dokumenttyp:: Zeitschriftenaufsatz
Autor(en):: Futera, Zdenek; Blumberger, Jochen
Zeitschriftentitel:: The Journal of Physical Chemistry C
Jahr:: 2017
Band / Volume:: 121
Heft / Issue:: 36
Seitenangaben Beitrag:: 19677-19689
Volltext / DOI:: doi:10.1021/acs.jpcc.7b06566
Verlag / Institution:: American Chemical Society (ACS)
E-ISSN:: 1932-74471932-7455
Publikationsdatum:: 05.09.2017
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