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

David Cubero | Zendy

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

Author(s) -

David Cubero

Publication year - 2008

Publication title -

the journal of chemical physics

Language(s) - English

Resource type - Journals

SCImago Journal Rank - 1.071

H-Index - 357

eISSN - 1089-7690

pISSN - 0021-9606

DOI - 10.1063/1.2889935

Subject(s) - statistical physics , granularity , harmonic oscillator , markov process , physics , classical mechanics , harmonic , quantum mechanics , mathematics , computer science , statistics , operating system

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.Dirección General de Enseñanza Superior of Spain Grant No. FIS2005-0288

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