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Recently [Phys. Rev. B 91, 125433 (2015)] we derived a general formula forthe time-dependent quantum electron current through a molecular junctionsubject to an arbitrary time-dependent bias within the Wide Band LimitApproximation (WBLA) and assuming a single particle Hamiltonian. Here wepresent an efficient numerical scheme for calculating the current and particlenumber. Using the Pad\'e expansion of the Fermi function, it is shown that allfrequency integrals occurring in the general formula for the current can beremoved analytically. Furthermore, when the bias in the reservoirs is assumedto be sinusoidal it is possible to manipulate the general formula into a formcontaining only summations over special functions. To illustrate the method, weconsider electron transport through a one-dimensional molecular wire coupled totwo leads subject to out-of-phase biases. We also investigate finite sizeeffects in the current response and particle number that results from theswitch-on of such a bias.

Calculation of the current response in a nanojunction for an arbitrary time-dependent bias: application to the molecular wire