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Volume 21   Issue 1   Year 2026
Dynamics of Charge during Its Bloch Oscillations in Holstein Polynucleotide Chains with Different Parameters

Korshunova A.N., Lakhno V.D.

Institute of Mathematical Problems of Biology RAS, Keldysh Institute of Applied Mathematics of Russian Academy of Sciences, Pushchino, Russia
 
Abstract. In the work presented, we study the nature of motion and distribution of charge along a chain during its Bloch oscillations in a constant electric field.  Previous calculations have shown that the nature of the charge motion and distribution along the chain depends on the entire set of system parameters. For example, if only the intensity of an electric field or the initial charge distribution is changed, there may be either uniform motion or oscillatory motion when all other parameters of the system remain unchanged. In this work, the modeling of charge dynamics in a constant electric field was carried out in polynucleotide chains with different parameters of the oscillation frequency of chain sites and the friction coefficient. The conducted researches showed significant differences in the velocity and nature of charge motion in chains with different values of the specified parameters. Obviously, the study of charge motion in polynucleotide chains, whose parameters are close to those of DNA chains, is of the greatest interest. But numerical modeling of the charge dynamics in such chains tends to be more costly for computational resources. Therefore, in order to speed up the computations carried out, modelling is first performed in chains with more convenient parameters. It has been shown that in chains with parameters close to those of DNA chains, the charge can only move slightly along the chain, oscillating in the region of its initial position. With model values of the oscillation frequency of the chain sites and the friction coefficient, which significantly exceed the corresponding values of the parameters of DNA chains, the charge can move along the chain over a sufficiently large distance.
 

Key words: nanobioelectronics, nanowire, molecular chain, polaron, DNA, charge transfer, Holstein model 

Table of Contents Original Article
Korshunova A.N., Lakhno V.D. Dynamics of Charge during Its Bloch Oscillations in Holstein Polynucleotide Chains with Different Parameters. Ìàthematical biology and bioinformatics. 2026;21(1):239-250. doi: 10.17537/2026.21.239
(published in Russian)

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