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Quantum Monte Carlo calculation of the thermodynamic functions of a Lennard-Jones chain of atoms

✍ Scribed by McGurn, A. R.; Ryan, P.; Maradudin, A. A.; Wallis, R. F.

Book ID
121737010
Publisher
The American Physical Society
Year
1989
Tongue
English
Weight
262 KB
Volume
40
Category
Article
ISSN
1098-0121

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Monte Carlo calculations of the thermody
Monte Carlo calculations of the thermodynamic properties of mixtures of Lennard-Jones liquids
✍ K. Singer πŸ“‚ Article πŸ“… 1969 πŸ› Elsevier Science 🌐 English βš– 249 KB

A method for the cticulation of thermcdynamic functions of binary mixtures from Monte Carlo data is outlined. Values obtained for the excess free energy, volume and enthalpy for a range of binary Lennard-Jones (12-6) Iiquids are compared with the predictions of three versions of the APM-theory.