Nonequilibrium isolated molecule limit

Details Nonequilibrium isolated molecule limit Nonequilibrium isolated molecule limit

2008-08-22

arxiv.org/abs/0808.3115v1

Phys. Rev. B 78, 125320 (2008)

Physics

Condensed Matter

Mesoscale and Nanoscale Physics

10 pages, 5 figures

Scientific paper

10.1103/PhysRevB.78.125320

Method developed by Sandalov and coworkers [Int. J. Quant. Chem. 94, 113 (2003)] is applied to inelastic transport in the case of strong correlations on the molecule, which is relatively weakly coupled to contacts. Ability of the approach to deal with the transport in the language of many-body molecular states as well as take into account charge-specific normal modes and nonadiabatic couplings is stressed. We demonstrate capabilities of the technique within simple model calculations, and compare it to previously published approaches.

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