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

Evans, Andy 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)

The full text of this publication is not available from this repository. (Contact us about this Publication)
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: 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: 16 Jun 2014 13:28
Resource URI: http://kar.kent.ac.uk/id/eprint/22463 (The current URI for this page, for reference purposes)
  • Depositors only (login required):