Melting of neon clusters: path integral Monte Carlo simulations

Abstract

Quantum effects on melting of magic number neon clusters Ne₁₃ and Ne₁₉ are studied using Fourier path integral Monte Carlo simulations. The cluster phase transition temperatures are determined from the behavior of the specific heat and the Lindemann index with temperature. Quantum effects are shown to lower transition temperatures by approximately 10%. Quantum and classical potential energies and structural distribution functions are examined in order to understand the quasiclassical behavior of neon clusters.