Unbiased charge oscillations in DNA monomer-polymers and dimer-polymers
Abstract
We call {\it monomer} a B-DNA base-pair and examine, analytically and numerically, electron or hole oscillations in monomer- and dimer-polymers, i.e., periodic sequences with repetition unit made of one or two monomers. We employ a tight-binding (TB) approach at the base-pair level to readily determine the spatiotemporal evolution of a single extra carrier along a base-pair polymer. We study HOMO and LUMO eigenspectra as well as the mean over time probabilities to find the carrier at a particular monomer. We use the pure mean transfer rate to evaluate the easiness of charge transfer. The inverse decay length for exponential fits , where is the charge transfer distance, and the exponent for power law fits are computed; generally power law fits are better. We illustrate that increasing the number of different parameters involved in the TB description, the fall of or becomes steeper and show the range covered by and . Finally, both for the time-independent and the time-dependent problem, we analyze the {\it palindromicity} and the {\it degree of eigenspectrum dependence} of the probabilities to find the carrier at a particular monomer.
Keywords
Cite
@article{arxiv.1504.02638,
title = {Unbiased charge oscillations in DNA monomer-polymers and dimer-polymers},
author = {Konstantinos Lambropoulos and Maria Chatzieleftheriou and Andreas Morphis and Konstantinos Kaklamanis and Marina Theodorakou and Constantinos Simserides},
journal= {arXiv preprint arXiv:1504.02638},
year = {2015}
}
Comments
17 pages, 10 figures