Duh Haymet

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The Duh-Haymet (Ref. 1) (1995) Padé (3/2) approximation for the Bridge function for the Lennard-Jones system is (Eq. 13)


Failed to parse (Conversion error. Server ("https://wikimedia.org/api/rest_") reported: "Cannot get mml. Server problem."): {\displaystyle B(\gamma ^{*})=-{\frac {1}{2}}\gamma ^{*2}\left[{\frac {1}{\left[1+\left({\frac {5\gamma ^{*}+11}{7\gamma ^{*}+9}}\right)\gamma ^{*}\right]}}\right]}

where (Eq. 10)

Failed to parse (SVG (MathML can be enabled via browser plugin): Invalid response ("Math extension cannot connect to Restbase.") from server "https://wikimedia.org/api/rest_v1/":): {\displaystyle \left. \gamma^{*}(r) \right.= \gamma (r) - \beta \Phi_p(r)}

where Failed to parse (SVG (MathML can be enabled via browser plugin): Invalid response ("Math extension cannot connect to Restbase.") from server "https://wikimedia.org/api/rest_v1/":): {\displaystyle \Phi_p (r)} is the perturbative (attractive) part of the pair potential.


References

  1. Der-Ming Duh and A. D. J. Haymet "Integral equation theory for uncharged liquids: The Lennard-Jones fluid and the bridge function", Journal of Chemical Physics 103 pp. 2625-2633 (1995)