Calculating the classical virial expansion using automated algebra.

Phys Rev E

Department of Physics and Astronomy, University of North Carolina, Chapel Hill, North Carolina 27599, USA.

Published: December 2023

Using schematic model potentials, we calculate exactly the virial coefficients of a classical gas up to sixth order and use them to calculate the virial expansion of basic thermodynamic quantities such as pressure, density, and compressibility. At sufficiently strong couplings, as expected, the virial expansion fails to converge. However, at least for the interactions and parameter ranges we explored, we find that Padé-Borel resummation methods are very effective in improving the convergence of the expansion.

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Source
http://dx.doi.org/10.1103/PhysRevE.108.065307DOI Listing

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