Monte Carlo simulation of an ion-dipole mixture
作者:
J.M. Caillol,
D. Levesque,
J.J. Weis,
期刊:
Molecular Physics
(Taylor Available online 1990)
卷期:
Volume 69,
issue 1
页码: 199-208
ISSN:0026-8976
年代: 1990
DOI:10.1080/00268979000100141
出版商: Taylor & Francis Group
数据来源: Taylor
摘要:
We demonstrate on a simple model of an ion-dipole mixture that the convergence of a Monte Carlo simulation at low ionic concentration may be quite slow. For a one molar concentration 105trial moves per particle are needed for a 864 particle system to obtain a precise estimate of both the ion-dipole and ion-ion energies and the static pair correlation functions. Our results show that recently published Monte Carlo results (1989,Molec. Phys.,66,299) on a similar system are far from being converged and question the conclusion drawn in this publication on the failure of the reference hypernetted chain equation.
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