2017/10/11 by Michael Ridley, Riku Tuovinen
Chemistry · Engineering · Physics and Astronomy · #Advanced Physical and Chemical Molecular Interactions #Equivalence (formal languages) #Formalism (music) #Function (biology) #Molecular Junctions and Nanostructures #Non-equilibrium thermodynamics #Quantum #Quantum and electron transport phenomena #Transport theory #cond-mat.mes-hall
paper · pdf · doi:10.1007/s10909-018-1880-9
arxiv created 2017/10/11 · openalex created_date 2017/10/20 · openalex publication_date 2018/02/26 · arxiv updated 2018/04/04 · openalex updated_date 2026/08/05
In this paper we review the partitioned and partition-free approaches to the calculation of the time-dependent response of a molecular junction to the switch-on of an arbitrary time-dependent bias. Using the non equilibrium Green's function formalism on different time contours, we derive a formal equivalence between these two approaches. This clarifies a recent result of [PRB 95, 104301 (2017)], which is valid for a static bias and single level molecular structure, and extends it to arbitrary time-dependent biases and arbitrarily large molecular structures.