Comparison of different thermostats in the Holstein model
Statistical Mechanics
2023-10-10 v1
Abstract
When modeling charge dynamics in a chain of N sites at a temperature T, a Langevin thermostat and a Hamiltonian system, i.e., a chain heated to a given temperature before charge is injected, are compared. It is shown that the polaron disruption occurs in the same range of values of the thermal energy NT, however, T is not given by the initial data, but obtained after simulation from the average kinetic energy. For large T, the results averaged over a set of trajectories in a system with a Langevin thermostat and the results averaged over time for a Hamiltonian system are close, which does not contradict the Ergodic hypothesis.
Cite
@article{arxiv.2310.05277,
title = {Comparison of different thermostats in the Holstein model},
author = {N. Fialko and M. Olshevets and V. D. Lakhno},
journal= {arXiv preprint arXiv:2310.05277},
year = {2023}
}
Comments
5 pages, 2 figures