Finite-temperature large acoustic polaron dynamics in quasi-one-dimensional molecular crystals
Abstract
We report the results of theoretical examinations of large polaron motion in one-dimensional (1D) molecular crystals under the influence of thermal fluctuations of the host lattice and constant electric field. Such a situation may arise in biological macromolecules such as an alpha helix where charge (electron) transfer may be achieved by a polaron (soliton) mechanism. In that case, the electric field represents the effective endogenous electric field which is always present in realistic conditions. We derive and solve the Fokker-Planck equation for the distribution function of the solitons center-of-mass position. It is shown that the soliton effectively exhibits a random walk. Moreover, in order to examine statistical properties of the soliton wave function, we calculate the mean value of the soliton probability density: LT \beta(x,t)\(2) GT and we find that, for sufficiently large times, thermal fluctuations destruct the soliton, which transforms into the Gaussian packet. These resu...lts were used in order to estimate the relevance of the soliton model of charge transfer in polypeptide chains.
Source:
Physical Review E, 2002, 65, 2
DOI: 10.1103/PhysRevE.65.021911
ISSN: 1539-3755; 1550-2376
PubMed: 11863567
WoS: 000174038000076
Scopus: 2-s2.0-41349116180
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Institution/Community
VinčaTY - JOUR AU - Ivić, Zoran AU - Zeković, Slobodan AU - Kostić, Dragan PY - 2002 UR - https://vinar.vin.bg.ac.rs/handle/123456789/2501 AB - We report the results of theoretical examinations of large polaron motion in one-dimensional (1D) molecular crystals under the influence of thermal fluctuations of the host lattice and constant electric field. Such a situation may arise in biological macromolecules such as an alpha helix where charge (electron) transfer may be achieved by a polaron (soliton) mechanism. In that case, the electric field represents the effective endogenous electric field which is always present in realistic conditions. We derive and solve the Fokker-Planck equation for the distribution function of the solitons center-of-mass position. It is shown that the soliton effectively exhibits a random walk. Moreover, in order to examine statistical properties of the soliton wave function, we calculate the mean value of the soliton probability density: LT \beta(x,t)\(2) GT and we find that, for sufficiently large times, thermal fluctuations destruct the soliton, which transforms into the Gaussian packet. These results were used in order to estimate the relevance of the soliton model of charge transfer in polypeptide chains. T2 - Physical Review E T1 - Finite-temperature large acoustic polaron dynamics in quasi-one-dimensional molecular crystals VL - 65 IS - 2 DO - 10.1103/PhysRevE.65.021911 ER -
@article{ author = "Ivić, Zoran and Zeković, Slobodan and Kostić, Dragan", year = "2002", abstract = "We report the results of theoretical examinations of large polaron motion in one-dimensional (1D) molecular crystals under the influence of thermal fluctuations of the host lattice and constant electric field. Such a situation may arise in biological macromolecules such as an alpha helix where charge (electron) transfer may be achieved by a polaron (soliton) mechanism. In that case, the electric field represents the effective endogenous electric field which is always present in realistic conditions. We derive and solve the Fokker-Planck equation for the distribution function of the solitons center-of-mass position. It is shown that the soliton effectively exhibits a random walk. Moreover, in order to examine statistical properties of the soliton wave function, we calculate the mean value of the soliton probability density: LT \beta(x,t)\(2) GT and we find that, for sufficiently large times, thermal fluctuations destruct the soliton, which transforms into the Gaussian packet. These results were used in order to estimate the relevance of the soliton model of charge transfer in polypeptide chains.", journal = "Physical Review E", title = "Finite-temperature large acoustic polaron dynamics in quasi-one-dimensional molecular crystals", volume = "65", number = "2", doi = "10.1103/PhysRevE.65.021911" }
Ivić, Z., Zeković, S.,& Kostić, D.. (2002). Finite-temperature large acoustic polaron dynamics in quasi-one-dimensional molecular crystals. in Physical Review E, 65(2). https://doi.org/10.1103/PhysRevE.65.021911
Ivić Z, Zeković S, Kostić D. Finite-temperature large acoustic polaron dynamics in quasi-one-dimensional molecular crystals. in Physical Review E. 2002;65(2). doi:10.1103/PhysRevE.65.021911 .
Ivić, Zoran, Zeković, Slobodan, Kostić, Dragan, "Finite-temperature large acoustic polaron dynamics in quasi-one-dimensional molecular crystals" in Physical Review E, 65, no. 2 (2002), https://doi.org/10.1103/PhysRevE.65.021911 . .