Path Integral Centroid Molecular Dynamics Simulation Extended to Bose and Fermi Statistics
نویسندگان
چکیده
منابع مشابه
Path integral molecular dynamics for Bose-Einstein and Fermi-Dirac statistics
We propose a promising extension of the path integral molecular dynamics method to Bose-Einstein and Fermi-Dirac statistics. The partition function for the quantum statistics was re-written in a form amenable to the molecular dynamics method with the aid of an idea of pseudopotential for the permutation of particles. Our pseudopotential is a rigorous one describing the whole effect of Bose-Eins...
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This paper presents a formal foundation for the recent extension @J. Chem. Phys. 110, 3647 ~1999!# of the centroid molecular dynamics ~CMD! method to systems obeying Bose–Einstein statistics. It is shown that the introduction of centroid phase space coordinates corresponding to individual physical particles allows one to obtain ~exact! canonical averages within the framework of the bosonic CMD ...
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We derive a class of generalized statistics, unifying the Bose and Fermi ones, that describe any system where the first-occupation energies or probabilities are different from subsequent ones, as in the presence of thresholds, saturation, or aging. The statistics completely describe the structural correlations of weighted networks, which turn out to be stronger than expected and to determine si...
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Emil A. Yuzbashyan,1 Vadim B. Kuznetsov,2 and Boris L. Altshuler3 1Center for Materials Theory, Department of Physics and Astronomy, Rutgers University, Piscataway, New Jersey 08854, USA 2Department of Applied Mathematics, University of Leeds Leeds, LS2 9JT, United Kingdom 3Physics Department, Princeton University, Princeton, New Jersey 08544, USA Received 29 June 2005; revised manuscript recei...
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We recently obtained a quantum-Boltzmann-conserving classical dynamics by making a single change to the derivation of the "Classical Wigner" approximation. Here, we show that the further approximation of this "Matsubara dynamics" gives rise to two popular heuristic methods for treating quantum Boltzmann time-correlation functions: centroid molecular dynamics (CMD) and ring-polymer molecular dyn...
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ژورنال
عنوان ژورنال: Progress of Theoretical Physics Supplement
سال: 2000
ISSN: 0375-9687
DOI: 10.1143/ptps.138.531