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Nemd Q-Kick Response Method for the Evaluation of the Dynamic Liquid Structure Factor

Evans, Andy, Ojeda, C.J. (1992) Nemd Q-Kick Response Method for the Evaluation of the Dynamic Liquid Structure Factor. Journal of Molecular Liquids, 54 (4). pp. 321-332. ISSN 0167-7322. (doi:10.1016/0167-7322(92)80039-K) (The full text of this publication is not currently available from this repository. You may be able to access a copy if URLs are provided) (KAR id:22565)

The full text of this publication is not currently available from this repository. You may be able to access a copy if URLs are provided.
Official URL:
http://dx.doi.org/10.1016/0167-7322(92)80039-K

Abstract

A new non-equilibrium molecular dynamics (NEMD) technique to obtain the Van-Hove dynamic liquid structure factor, S(q,omega), is presented. The technique depends on evaluating the system's density response to a density-coupling, time-impulsive and space-sinusoidal field of wave vector,q, by the perturbation-and-difference method. Results pertaining to a Lennard-Jones fluid model of liquid Argon are presented as an illustration.

Item Type: Article
DOI/Identification number: 10.1016/0167-7322(92)80039-K
Additional information: This item is a proceeding paper.
Subjects: Q Science > QD Chemistry
Divisions: Divisions > Division of Natural Sciences > Biosciences
Depositing User: P. Ogbuji
Date Deposited: 05 Sep 2009 17:34 UTC
Last Modified: 05 Nov 2024 10:01 UTC
Resource URI: https://kar.kent.ac.uk/id/eprint/22565 (The current URI for this page, for reference purposes)

University of Kent Author Information

Evans, Andy.

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