期刊
JOURNAL OF CHEMICAL PHYSICS
卷 150, 期 24, 页码 -出版社
AMER INST PHYSICS
DOI: 10.1063/1.5096244
关键词
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资金
- Israel Science Foundation [1604/16]
- Raymond and Beverly Sackler Center for Computational Molecular and Materials Science, Tel Aviv University
- United States-Israel Binational Science Foundation (BSF) [2016087]
- DOE [ER 46932]
We present a numerically exact study of charge transport and its fluctuations through a molecular junction driven out of equilibrium by a bias voltage, using the inchworm quantum Monte Carlo method. After showing how the technique can be used to address any lead geometry, we concentrate on one dimensional chains as an example. The finite bandwidth of the leads is shown to affect transport properties in ways that cannot be fully captured by quantum master equations: in particular, we reveal an interaction-induced broadening of transport channels that is visible at all voltages and show how fluctuations of the current are a more sensitive probe of this effect than the mean current. Published under license by AIP Publishing.
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