Nonequilibrium isolated molecule limit

Abstract

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.