Beilstein J. Nanotechnol.2011,2, 416–426, doi:10.3762/bjnano.2.47
., nonequilibrium Green’s function methods, they are conceptually simpler, more flexible for extensions, and from a practical point of view provide accurate results as long as strong quantum correlations do not modify the properties of the relevant subunits substantially.
Keywords: inelasticchargetransfer
, the typical regime for devices in mesoscopic solid state physics, are also accessible (see, e.g., [4][5][6]). This allows for detailed studies of phenomena such as inelasticchargetransfer due to molecular vibrations [7][8][9], voltage driven conformational changes of the molecular backbone [10
sufficiently weak [15]. Physically, it places charge transfer through molecular contacts in the context of inelasticchargetransfer through ultrasmall metallic contacts (dynamical Coulomb blockade [17]) and in the context of solvent or vibronic mediated intramolecular charge transfer (Marcus theory) [18][19
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Figure 1:
Single charge transfer through a molecular contact consisting of a single electronic level coupled ...