Continuum Model of the One-Dimensional Holstein Bipolaron in DNA
N.I. Kashirina, V.D. Lakhno
TL;DR
This paper develops a continuum Holstein model for one-dimensional bipolarons in DNA, analyzing electron correlations and calculating binding energies to understand bipolaron stability.
Contribution
It introduces a continuum Holstein bipolaron model for DNA and investigates the impact of electron correlations on bipolaron binding energy.
Findings
Electron correlations significantly influence bipolaron binding energy.
Numerical calculations provide quantitative insights into bipolaron stability.
The model advances understanding of charge transport in DNA.
Abstract
The work is devoted to obtaining the 1D bipolaron functional by Holstein method for the continuum approximation. We analyzed the effect of electron correlations associated with the direct dependence of the wave function of the electron system from the electron-electron distance on the binding energy of the bipolaron. Numerical calculations of the bipolaron binding energy were performed according to the parameters of the system.
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Taxonomy
TopicsDNA and Nucleic Acid Chemistry · Electron Spin Resonance Studies