Abstract
We have calculated pressure, internal energy, and infinite-frequency shear modulus of two-body Hartree–Fock dispersion (HFD)-like potential using the statistical mechanical formula for neon. Molecular dynamics simulations have been also applied to generate the required radial distribution function (RDF) for HFD-like fluid in the range 1.1≤T⁎≤4.4 and 0.43≤ρ⁎≤0.82. Quantum corrections have been considered using the Feynman–Hibbs (FH) approach. To take many-body forces into account for the HFD-like system, the simple three-body potentials of Wang and Sadus (2006) and Hauschild and Prausnitz (1993) were used with the two-body potential without requiring an expensive three-body calculation. The results show that the quantum and three-body effects improve the prediction of the pressure and internal energy of the HFD-like fluid.
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