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Many-body scattering formalism of quantum molecular conductance

Authors :
Daniel Neuhauser
Roi Baer
Source :
Chemical Physics Letters. 374:459-463
Publication Year :
2003
Publisher :
Elsevier BV, 2003.

Abstract

A general formalism is developed for the theory of electronic current through a molecule attached to macroscopic electrodes in a given bias. The current is calculated in a non-perturbative many-body formalism. We obtain an intuitively appealing formula. We identify two distinct limits: the Kubo linear response formula valid in the small bias regime and the Landauer formula valid for non-interacting electrons. Finally, we develop a new correlation function formula, which is more amenable to numerical computations and discuss the application of absorbing potentials in the electrodes as a possible means of calculation.

Details

ISSN :
00092614
Volume :
374
Database :
OpenAIRE
Journal :
Chemical Physics Letters
Accession number :
edsair.doi...........f8ca9b12456a5f29acefede129af33b5