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Volume 6   Issue 2   Year 2011
Adiabatic approximation for the calculation of the charge mobility in the DNA Holstein model

Tikhonov D.A., Sobolev E.V., Lakhno V.D., Fialko N.S.

Institute of Mathematical Problems of Biology, Russian Academy of Science, Pushchino, Moscow Region, 142290, Russia

dmitry.tikhonov@gmail.com
fialka@impb.psn.ru

Abstract. In Holstein’ model the charge transfer along a site chain is described using self- consistent ODE system (polaron model). To estimate the charge mobility at temperature prescribed, linear adiabatic approximation is suggested wherein the charge moving does not act on the site displacements. In this approximation computations are fast. Comparison of calculating results for the polaron model and the adiabatic model shows agreement of diffusion coefficients with accuracy up to one standard deviation.

Key words: Holstein model, Langevin equation, mobility, DNA, adiabatic approximation, Magnus method, matrix exponential factorisable.

Table of Contents Original Article
Math. Biol. Bioinf.
2011;6(2):264-272
doi: 10.17537/2011.6.264
published in Russian

Abstract (rus.)
Abstract (eng.)
Full text (rus., pdf)
References

 

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