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Comment on “Markovian approximation in a coarse-grained description of atomic systems” [J. Chem. Phys.125, 204101 (2006)]

 

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Opened Access Comment on “Markovian approximation in a coarse-grained description of atomic systems” [J. Chem. Phys.125, 204101 (2006)]
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Author: Cubero, David
Department: Universidad de Sevilla. Departamento de Física Aplicada I
Date: 2008
Published in: The Journal of Chemical Physics, 128(14), 147101:1-2
Document type: Article
Abstract: The authors concluded that the coarse-graining dynamics of a one-dimensional chain of oscillators interacting through Lennard–Jones potentials is Markovian, in contrast with the situation observed for harmonic lattices. However, with the help of a novel equation that relates the correlation of forces and momenta, I show that this conclusion is drawn from an incorrect analysis of the simulation data.
Size: 397.0Kb
Format: PDF

URI: http://hdl.handle.net/11441/25110

DOI: 10.1063/1.2889935

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