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

Evans, W.A.B. and Ojeda, C.J. (1992) Nemd Q-Kick Response Method for the Evaluation of the Dynamic Liquid Structure Factor. In: 1991 Annual Meeting of the British Radiofrequency Spectroscopy Group : Molecular Motion and Structure in Disordered Condensed Matter, Canterbury, England. (The full text of this publication is not available from this repository)

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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: Conference or workshop item (Other)
Subjects: Q Science > QD Chemistry
Divisions: Faculties > Science Technology and Medical Studies > School of Biosciences
Depositing User: P. Ogbuji
Date Deposited: 17 Sep 2009 16:36
Last Modified: 28 May 2012 14:35
Resource URI: http://kar.kent.ac.uk/id/eprint/22463 (The current URI for this page, for reference purposes)
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