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Quantum Monte Carlo Simulations of the Davydov Model

  • Xidi Wang
  • David W. Brown
  • Katja Lindenberg
Part of the NATO ASI Series book series (NSSB, volume 243)

Abstract

Through an application of the quantum Monte Carlo technique, we investigate the thermal equilibrium properties of the one-dimensional model proposed by Davydov for the description of energy transport processes in the α-helix. The calculations in this paper are free from uncontrollable approximations. The deformation of the lattice about a single (mobile) excitation is computed at a number of temperatures for a variety of coupling strengths. Broad and smooth coherent localized quasi-particle units are observed at low temperatures for some parameters of the system. For the “standard” α-helix data, the quasi-particle is embedded in strong fluctuations and is very localized. At temperatures greater than a few Kelvins, the quasi-particle attains its most localized form. We also considered scenarios in which several excitations are present in the system simultaneously; some preliminary results for the density-density correlation are calculated. The structure of polaron clusters is found, and their implication for biological systems is discussed.

Keywords

Matrix Element Partition Function World Line Quantum Fluctuation Small Polaron 
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Copyright information

© Springer Science+Business Media New York 1990

Authors and Affiliations

  • Xidi Wang
    • 1
  • David W. Brown
    • 2
  • Katja Lindenberg
    • 2
    • 3
  1. 1.Department of Physics, B-019University of California at San DiegoLa JollaUSA
  2. 2.Institute for Nonlinear Science, R-002University of California at San DiegoLa JollaUSA
  3. 3.Department of Chemistry, B-040University of California at San DiegoLa JollaUSA

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