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Using The Second Virial Coefficient As Physical Criterion To Map The Hard-Sphere Potential Onto A Continuous Potential

JOURNAL OF CHEMICAL PHYSICS(2018)

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摘要
In the same sense as in the extended law of corresponding states [M. Noro and D. Frenkel, J. Chem. Phys. 113, 2941 (2000)], we propose the use of the second virial coefficient to map the hard-sphere potential onto a continuous potential. We show that this criterion provides accurate results when the continuous potential is used, for example, in computer simulations to reproduce the physical properties of systems with hard-core interactions. We also demonstrate that this route is straightforwardly applicable to any spatial dimension, does not depend on the particle density and, from a numerical point of view, is easy to implement. Published by AIP Publishing.
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关键词
second virial coefficient,potential,physical criterion,hard-sphere
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