Equation of state, elastic constants, and melting curve of solid neon using an effective two-body potential including quantum corrections

• A new effective quantum potential has been used for solid neon.
• The EOS, elastic constants, and melting curve of neon simulated at high pressures.
• Our new potential improves the prediction of the classical two-body results.
• Our results are in better agreement with experiment than many other models.

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.

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