The projection of a nonlocal mechanical system onto the irreversible generalized Langevin equation, II: Numerical simulations

Thumbnail Image

Date

Authors

Journal Title

Journal ISSN

Volume Title

Publisher

Abstract

Description

The irreversible generalized Langevin equation (iGLE) contains a nonstationary friction kernel that in certain limits reduces to the GLE with space-dependent friction. For more general forms of the friction kernel, the iGLE was previously shown to be the projection of a mechanical system with a time-dependent Hamiltonian. [R. Hernandez, J. Chem. Phys. 110, 7701 (1999)] In the present work, the corresponding open Hamiltonian system is further explored. Numerical simulations of this mechanical system illustrate that the time dependence of the observed total energy and the correlations of the solvent force are in precise agreement with the projected iGLE.
8 pages, 9 figures, submitted to J. Chem. Phys

Keywords

Statistical Mechanics

Citation

URI

http://salesiana.dossiersoluciones.com/handle/123456789/95872

Consulte el texto completo en el siguiente enlace:

https://arxiv.org/abs/cond-mat/0501328
 http://arxiv.org/abs/cond-mat/0501328
 J. Chem. Phys., 123, 144109 (2005)
 doi:10.1063/1.2052594

Collections

arXiv