Algebraic perturbation theory for dense liquids with discrete potentials.
A simple theory for the leading-order correction g{1}(r) to the structure of a hard-sphere liquid with discrete (e.g., square-well) potential perturbations is proposed. The theory makes use of a general approximation that effectively eliminates four-particle correlations from g{1}(r) with good accuracy at high densities. For the particular case of discrete perturbations, the remaining three-particle correlations can be modeled with a simple volume-exclusion argument, resulting in an algebraic and surprisingly accurate expression for g{1}(r). The structure of a discrete "core-softened" model for liquids with anomalous thermodynamic properties is reproduced as an application.
Adib
Artur B
AB
Laboratory of Chemical Physics, NIDDK, National Institutes of Health, Bethesda, Maryland 20892-0520, USA. adiba@mail.nih.gov