EPJ Web Conf.
Volume 173, 2018Mathematical Modeling and Computational Physics 2017 (MMCP 2017)
|Number of page(s)||4|
|Section||Optimization and Simulation|
|Published online||14 February 2018|
On the Thermodynamic Equilibrium Distribution of a Charge in a Homogeneous Chain with a Defect
Institute of Mathematical Problems of Biology RAS – the Branch of Keldysh Institute of Applied Mathematics of Russian Academy of Sciences
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Published online: 14 February 2018
Based on the semi-classical Holstein Hamiltonian we consider charge transfer along a DNA chain of sites at different thermostat temperatures. Recently, using the computer simulation, it has been shown that the charge distribution in homogeneous chains in thermodynamic equilibrium depends not only on the temperature, but also on the length of the chain. We have studied numerically the case of polyadenine fragments with a defect site in the middle of the chain. The results demonstrate qualitatively similar behavior of thermodynamic equilibrium quantities in the case of the homogeneous chain and of the chain with a defect. Insertion of a trap-site enhances the stability of polaron states.
© The Authors, published by EDP Sciences, 2018
This is an Open Access article distributed under the terms of the Creative Commons Attribution License 4.0, which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited. (http://creativecommons.org/licenses/by/4.0/).
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