Accurate melting temperatures for neon and argon from ab initio Monte Carlo simulations

Abstract

(Figure Presented) Monte Carlo simulations using first-principles many-body interaction potentials for clusters containing "magic numbers" of neon and argon atoms (NeN, ArN, N=13, 55, 147, 309, 923) can provide melting temperatures Tm, which when extrapolated to the bulk are in excellent agreement with experimental findings. © 2008 Wiley-VCH Verlag GmbH & Co. KGaA.