Molecular Physics · 1990 · 10 citations · 11 references
Natural SciencesPhysicsComputational ChemistryFluid DynamicsMolecular PhysicsDensity Functional TheoryFluid PropertiesDensity CalculationsLennard-jones PotentialRadial Distribution FunctionsStatic Structure Analysis
The density-functional (DF) method is combined with the smoothed-density approximation to calculate the fluid structure in two-dimensional (2D) hard-disc (HD) systems. Density-dependent weighting functions in the DF method proposed by Tarazona for three-dimensional fluids have been applied to 2D systems for the calculation of the radial distribution function of HD fluids and the determination of the static structure of 2D HD fluids around the central hard triatomic molecule. The results compare reasonably well with Monte Carlo data. The radial distribution of a 2D Lennard-Jones fluid has also been calculated and shown to be in satisfactory agreement with Monte Carlo data except for the high-density fluid.
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Free-energy density functional for hard spheres
P. Tarazona · Physical review. A, General physics · 1985 · 1.1K citations
A rigid sphere model for the melting of argon
H. C. Longuet–Higgins, B. Widom · Molecular Physics · 1964 · 330 citations
Natural Sciences, Chemistry, Physics +17