Abstract
The atomic behaviour in simple dense liquids is investigated by computer simulation. Two properties are studied from molecular dynamics calculations of a Lennard-Jones system: (i) the bond-angle distributions between a central particle and two other particles and (ii) the time correlation functions for both the relative velocities and the components of the relative velocities parallel to the line of particles. These properties are used for testing the reliability of stochastic simulations based on the generalized Langevin equation.
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© 1992 Springer Science+Business Media Dordrecht
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Canales, M., Padró, J.A. (1992). Computer Simulation Study of the Bond-Angle Distributions and Relative Diffusion in Liquids. In: Teixeira-Dias, J.J.C. (eds) Molecular Liquids: New Perspectives in Physics and Chemistry. NATO ASI Series, vol 379. Springer, Dordrecht. https://doi.org/10.1007/978-94-011-2832-2_12
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DOI: https://doi.org/10.1007/978-94-011-2832-2_12
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