A Statistical Mechanical Approximation for the Calculation of Time Auto-Correlation Functions
| dc.creator | Dyre, Jeppe C. | |
| dc.date | 1997-12-18 | |
| dc.date.accessioned | 2026-07-07T03:09:40Z | |
| dc.date.available | 2026-07-07T03:09:40Z | |
| dc.description | This paper considers the problem of estimating the time auto-correlation function for a quantity that is defined in configuration space, given a knowledge of the mean-square displacement as function of time in configuration space. The problem is particularly relevant for viscous liquids, where the interesting time-scales are often beyond those reachable by computer simulation. An approximate formula is derived which reduces the calculation of the time auto- correlation function to a "double canonical" average. In this approximation, in the case of Langevin dynamics the mean-square displacement itself may be evaluated from the "double partition function" . The scheme developed is illustrated by computer simulations of a simple one-dimensional system at different temperatures, showing good agreement between the exact time auto-correlation functions and those found by the approximation. | |
| dc.description | Plain RevTex file, no figures | |
| dc.identifier | https://arxiv.org/abs/cond-mat/9712222 | |
| dc.identifier | http://arxiv.org/abs/cond-mat/9712222 | |
| dc.identifier.uri | http://salesiana.dossiersoluciones.com/handle/123456789/27977 | |
| dc.subject | Condensed Matter | |
| dc.title | A Statistical Mechanical Approximation for the Calculation of Time Auto-Correlation Functions | |
| dc.type | text |