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Calculation of the current response in a nanojunction for an arbitrary time-dependent bias: application to the molecular wire
Journal of Physics, Conference Series
Recently [Phys. Rev. B 91, 125433 (2015)] we derived a general formula for the time-dependent quantum electron current through a molecular junction subject to an arbitrary time-dependent bias within the Wide Band Limit Approximation (WBLA) and assuming a single particle Hamiltonian. Here we present an efficient numerical scheme for calculating the current and particle number. Using the Pad\'e expansion of the Fermi function, it is shown that all frequency integrals occurring in the generaldoi:10.1088/1742-6596/696/1/012017 fatcat:42yobvrzyfgm7hrrvhapsghq4u