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.
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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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