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Mathematical Modeling
Dynamics of the Holstein polaron under constant and combined action of constant and alternating electric fields
A. N. Korshounova, V. D. Lakhno Institute of Mathematical Problems of Biology RAS, Pushchino, Moscow Region, Russia
Abstract:
Numerical modeling of the nature of the motion and distribution of the Holstein polaron in a homogeneous polynucleotide chain in a constant electric field and under the simultaneous influence of constant and alternating electric fields was carried out. The conducted researches showed significant differences in the velocity and nature of the polaron movement in the chain when exposed only to a constant electric field and when exposed simultaneously to constant and alternating electric fields. Particularly large differences are observed in chains with parameters close to the parameters of DNA chains. Modeling the motion of a polaron under the simultaneous influence of constant and alternating electric fields showed that it is possible for a charge to move over very large distances. In this case, the nature of the polaron’s motion is very different from the nature of the polaron’s motion in a constant electric field. And even in the polyG/polyC DNA chain, the polaron moves along the chain over a sufficiently large distance. It is shown that for a certain set of parameters, the motion of a polaron in a chain under the simultaneous influence of constant and alternating electric fields can look like a motion with an average constant velocity.
Key words:
nanobioelectronics, nanowire, molecular chain, polaron, DNA, charge transfer, Holstein model.
Received 15.10.2024, 21.11.2024, Published 09.12.2024
Citation:
A. N. Korshounova, V. D. Lakhno, “Dynamics of the Holstein polaron under constant and combined action of constant and alternating electric fields”, Mat. Biolog. Bioinform., 19:2 (2024), 472–485
Linking options:
https://www.mathnet.ru/eng/mbb572 https://www.mathnet.ru/eng/mbb/v19/i2/p472
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