Delta-function expansion of Mayer function with application to virial coefficients |
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Authors: | James C Rainwater |
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Institution: | (1) Cryogenics Division, Institute for Basic Standards, National Bureau of Standards, Boulder, Colorado |
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Abstract: | The Mayer cluster integrals of a fluid with smooth, repulsive interactions are expanded in orders of a well-defined softness parameter. To first but not second order in softness, all virial coefficients are given by their hard-sphere forms with an effective diameter. A closed asymptotic expression is derived for the third virial coefficient which gives excellent results for the inverse power and exponential potentials. |
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Keywords: | Cluster expansion exponential potential inverse power potential Mayer function soft spheres third virial coefficient |
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