A quasi-classical mapping approach to vibrationally coupled electron transport in molecular junctions
نویسندگان
چکیده
منابع مشابه
A quasi-classical mapping approach to vibrationally coupled electron transport in molecular junctions.
We develop a classical mapping approach suitable to describe vibrationally coupled charge transport in molecular junctions based on the Cartesian mapping for many-electron systems [B. Li and W. H. Miller, J. Chem. Phys. 137, 154107 (2012)]. To properly describe vibrational quantum effects in the transport characteristics, we introduce a simple transformation rewriting the Hamiltonian in terms o...
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ژورنال
عنوان ژورنال: The Journal of Chemical Physics
سال: 2014
ISSN: 0021-9606,1089-7690
DOI: 10.1063/1.4867789