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Frequency-Dependent Friction Constant Analysis of Diffusion in Simple Liquids
Phys. Rev. 170, 151 – Published 5 June, 1968
DOI: https://doi.org/10.1103/PhysRev.170.151
Abstract
A simple discussion of the self-diffusion motions of an atom in a simple liquid is given. The discussion, based mainly on fluctuation-dissipation theorems, dispersion relations, and sum rules, provides a rigorous framework in which a number of phenomenological descriptions are examined. Specific results for liquid argon are compared with computer molecular dynamics calculations. It is shown that the use of simple frequency-dependent friction constants leads to reasonable calculations of the velocity autocorrelation function and of the self-diffusion coefficient.
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Omitted endnote
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