Charge diffusion in homogeneous molecular chains based on the analysis of generalized frequency spectra in the framework of the Holstein model

Abstract

We analyze velocity autocorrelation functions and generalized frequency spectra of  charge distribution in homogeneous DNA sequences at finite temperature. The functions are calculated numerically in the framework of the semi-classical Holstein model. We show that for all the sequences, only one parameter of the system is mainly responsible for the charge kinetics. Character of individual motions contributing into the charge mobility is determined. Temperature-dependent regimes of charge distribution are identified.