期刊
FLUID PHASE EQUILIBRIA
卷 379, 期 -, 页码 167-174出版社
ELSEVIER
DOI: 10.1016/j.fluid.2014.07.026
关键词
Many-Body interaction; Quantum effect; Equation of state; Elastic constant; Melting curve
We have calculated the equation of state, elastic constants, and melting curve of solid neon using a two-body Hartree-Fock dispersion (HFD)-like potential from molecular dynamics simulation at high pressures. To take many-body forces into account, a new simple and accurate empirical expression has been used with the HFD-like potential without requiring an expensive three-body calculation. Quantum corrections have been considered using the Feynman-Hibbs (FH) approach for solid neon. The results indicate that our effective HFD-like potential including quantum corrections improves the prediction of the classical two-body results to get better agreement with experiment than many other models. (C) 2014 Elsevier B.V. All rights reserved.
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