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Volume 16   Issue 1   Year 2021
Equilibrium Charge Distribution in a Finite Chain with a Trapping Site

Fialko N.S., Olshevets M.M., Lakhno V.D.

Institute of Mathematical Problems of Biology RAS – Branch of KIAM RAS, Pushchino, Russia
Abstract. The paper considers the problem of the distribution of a quantum particle in a classical one-dimensional lattice with a potential well. The cases of a rigid chain, a Holstein polaron model, and a polaron in a chain with temperature are investigated by direct modeling at fixed parameters. As is known, in the one-dimensional case, a particle is captured by an arbitrarily shallow potential well with an increase of the box size. In the case of a finite chain and finite temperatures, we have quite the opposite result, when a particle, being captured in a well in a short chain, turns into delocalized state with an increase in the chain length. These results may be helpful for further understanding of charge transfer in DNA, where oxoguanine can be considered as a potential well in the case of hole transfer when for excess electron transfer it is thymine dimer.

Key words: charge, potential well, Holstein model, Langevin equation, thermodynamic equilibrium state

Table of Contents Original Article
Math. Biol. Bioinf.
doi: 10.17537/2021.16.152
published in Russian

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


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