Modification of the Mayer Sampling Method for the Calculation of High-Order Virial Coefficients
DOI:
https://doi.org/10.15407/ujpe59.07.0737Keywords:
virial coefficient, irreducible cluster integral, Mayer’s function, Mayer sampling, Monte Carlo methodAbstract
A technique for the calculation of high-order virial coefficients, which combines the quadrature integration and the Mayer sampling Monte Carlo method (MSMC), is proposed. Unlike the original MSMC, this technique does not require to know the reference coefficients for the hard-sphere potential and can be used in a wide range of temperatures and for various interaction potentials. In addition, the proposed method has a higher accuracy at lower computational costs. It has been used to obtain some new data on the seventh virial coefficient of the Lennard-Jones (12-6) model.
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