Article
Comment on “Markovian approximation in a coarse-grained description of atomic systems” [J. Chem. Phys.125, 204101 (2006)]
Author/s | Cubero Gómez, David
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Department | Universidad de Sevilla. Departamento de Física Aplicada I |
Publication Date | 2008 |
Deposit Date | 2015-05-29 |
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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. ... 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. |
Funding agencies | Ministerio de Educación y Ciencia (MEC). España |
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