Discrete charge patterns in a holstein-SSH DNA lattice

Adamou Koko Dang, Conrad Bertrand Tabi, Henri Paul Ekobena Fouda, Timoleon Crepin Kofané

Research output: Contribution to journalArticle

5 Citations (Scopus)

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 Schr€odinger (MDNLS) equation, where charge-lattice coupling parameters are obvious. Attention is paid to the effective coupling parameter, v', 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 v' 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 v' increases.

Original languageEnglish
Pages (from-to)34-41
Number of pages8
JournalInternational Journal of Quantum Chemistry
Volume115
Issue number1
DOIs
Publication statusPublished - Jan 1 2015

Fingerprint

Schrodinger equation
Charge transfer
Polarons
deoxyribonucleic acid
polarons
nonlinear equations
DNA
Molecular vibrations
Charge density
Conformations
extinction
plane waves
vibration
Computer simulation
approximation
simulation

All Science Journal Classification (ASJC) codes

  • Atomic and Molecular Physics, and Optics
  • Condensed Matter Physics
  • Physical and Theoretical Chemistry

Cite this

Dang, Adamou Koko ; Tabi, Conrad Bertrand ; Fouda, Henri Paul Ekobena ; Kofané, Timoleon Crepin. / Discrete charge patterns in a holstein-SSH DNA lattice. In: International Journal of Quantum Chemistry. 2015 ; Vol. 115, No. 1. pp. 34-41.
@article{de448a0f9dbc4d1985cbc3015fc83362,
title = "Discrete charge patterns in a holstein-SSH DNA lattice",
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 Schr€odinger (MDNLS) equation, where charge-lattice coupling parameters are obvious. Attention is paid to the effective coupling parameter, v', 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 v' 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 v' increases.",
author = "Dang, {Adamou Koko} and Tabi, {Conrad Bertrand} and Fouda, {Henri Paul Ekobena} and Kofan{\'e}, {Timoleon Crepin}",
year = "2015",
month = "1",
day = "1",
doi = "10.1002/qua.24790",
language = "English",
volume = "115",
pages = "34--41",
journal = "International Journal of Quantum Chemistry",
issn = "0020-7608",
publisher = "John Wiley and Sons Inc.",
number = "1",

}

Discrete charge patterns in a holstein-SSH DNA lattice. / Dang, Adamou Koko; Tabi, Conrad Bertrand; Fouda, Henri Paul Ekobena; Kofané, Timoleon Crepin.

In: International Journal of Quantum Chemistry, Vol. 115, No. 1, 01.01.2015, p. 34-41.

Research output: Contribution to journalArticle

TY - JOUR

T1 - Discrete charge patterns in a holstein-SSH DNA lattice

AU - Dang, Adamou Koko

AU - Tabi, Conrad Bertrand

AU - Fouda, Henri Paul Ekobena

AU - Kofané, Timoleon Crepin

PY - 2015/1/1

Y1 - 2015/1/1

N2 - 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 Schr€odinger (MDNLS) equation, where charge-lattice coupling parameters are obvious. Attention is paid to the effective coupling parameter, v', 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 v' 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 v' increases.

AB - 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 Schr€odinger (MDNLS) equation, where charge-lattice coupling parameters are obvious. Attention is paid to the effective coupling parameter, v', 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 v' 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 v' increases.

UR - http://www.scopus.com/inward/record.url?scp=84912015670&partnerID=8YFLogxK

UR - http://www.scopus.com/inward/citedby.url?scp=84912015670&partnerID=8YFLogxK

U2 - 10.1002/qua.24790

DO - 10.1002/qua.24790

M3 - Article

VL - 115

SP - 34

EP - 41

JO - International Journal of Quantum Chemistry

JF - International Journal of Quantum Chemistry

SN - 0020-7608

IS - 1

ER -