Estimation of the entropy from Monte Carlo acceptance ratios. (Comments on the preceding article)
E. M. Gosling and K. Singer, J. Chem. Soc., Faraday Trans. 2, 1973, 69, 1009 DOI: 10.1039/F29736901009
Publications
5 shownCalculation of thermodynamic properties of liquid argon from Lennard-Jones parameters by a Monte Carlo method
Extensions of the Monte Carlo method of Metropolis et al. are described which permit both isochoric and isothermal extrapolations of Monte Carlo data. Thermodynamic properties a...
Examination of the Adequacy of the 12–6 Potential for Liquid Argon by Means of Monte Carlo Calculations
Monte Carlo calculations of thermodynamic properties of argon are reported for the temperature range between the triple point and the critical temperature at pressures up to 700...
An equation of state for simple liquids
An empirical formula for the Helmholtz free energy of a system of particles interacting through the Lennard-Jones 12-6 potential is derived on the basis of Monte Carlo computati...
Determination of the free volume and the entropy by a Monte Carlo method
The configurational integral can in principle, though not in practice, be determined from the ratio of accepted to rejected moves ( ) in the Monte Carlo method of Metropolis et ...
Frequent Co-Authors
Researcher Info
- h-index
- 5
- Publications
- 5
- Citations
- 479
- Institution
- Royal Holloway University of London
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Impact Metrics
h-index
5
h-index: Number of publications with at least h citations each.