Discrete Charge Patterns in a Holstein-SSH DNA Lattice

Journal article

Authors / Editors

Tabi, Condrad

Research Areas

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Publication Details

Author list: Dang AK, Tabi CB, Fouda HPE, Kofane TC

Publisher: Wiley

Place: HOBOKEN

Publication year: 2015

Journal: International Journal of Quantum Chemistry (0020-7608)

Journal acronym: INT J QUANTUM CHEM

Volume number: 115

Issue number: 1

Start page: 34

End page: 41

Number of pages: 8

ISSN: 0020-7608

eISSN: 1097-461X

Languages: English-Great Britain (EN-GB)

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Abstract

DNA nonlinear charge transport is addressed in a combined Holstein-Su-Schrieffer-Heeger (HSSH) model. In the adiabatic approximation the dynamics of the system is shown to be governed by a modified discrete nonlinear Schrodinger (MDNLS) equation, where charge-lattice coupling parameters are obvious. Attention is paid to the effective coupling parameter, , between charge and internal molecular vibrations, which importantly influences the stability/instability features of the plane wave, solution to the MDNLS equation. Region of instability are remarkably reduced, therefore predicting that increasing could progressively quench charge transport. This is confirmed by numerical simulations on the generic HSSH model, where only the charge density is excited and drives the dynamics of the global system. Polarons, as well as longitudinal and transversal nonlinear waves, are obtained and the dependence of charge transport on DNA conformation is discussed. Accordingly, the longtime evolution of the found polarons is studied and we observe a progressive extinction of its temporal evolution as increases. (c) 2014 Wiley Periodicals, Inc.

Keywords

charge transport, DNA, polarons, solitons

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