Results from Parallel Tempering Monte Carlo simulations of TeF6 clusters

Rossen Radev - 2002

TeF6 cluster
molecules: 59
Parallel Tempering Monte Carlo
Caloric curves (<V> per molecule)
molecules: 59, 89
Metropolis Monte Carlo
Caloric curve (<V> per molecule)
molecules: 59
Parallel Tempering
Potential energy distributions. Liquid-Solid coexsistence at 112 K.
molecules: 59
Parallel Tempering
Potential energy distributions. Solid-Solid coexsistence at 76.5 K.
molecules: 59
Parallel Tempering
Heat cpacity
molecules: 59
Metropolis Monte Carlo
Heat cpacity
molecules: 59
Comparison between Parallel Tempering and Metropolis Monte Carlo.
Potential energy distributions near Solid-Solid coexsistence at 76.5 K.
molecules: 59