Comment on “Markovian approximation in a coarse-grained description of atomic systems” [J. Chem. Phys.125, 204101 (2006)]
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 force...
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| Tipo de recurso: | artículo |
| Estado: | Versión publicada |
| Fecha de publicación: | 2008 |
| País: | España |
| Institución: | Universidad de Sevilla (US) |
| Repositorio: | idUS. Depósito de Investigación de la Universidad de Sevilla |
| OAI Identifier: | oai:idus.us.es:11441/25110 |
| Acceso en línea: | http://hdl.handle.net/11441/25110 https://doi.org/10.1063/1.2889935 |
| Access Level: | acceso abierto |
| Sumario: | 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. |
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