Using the second virial coefficient as physical criterion to map the hard-sphere potential onto a continuous potential.
César Alejandro BáezAlexis Torres-CarbajalRamón Castañeda-PriegoAlejandro Villada-BalbuenaJosé Miguel Méndez-AlcarazSalvador Herrera-VelardePublished in: The Journal of chemical physics (2018)
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.