Liquid argon: Monte carlo and molecular dynamics calculations
- 1 January 1971
- journal article
- research article
- Published by Taylor & Francis in Molecular Physics
- Vol. 21 (4) , 657-673
- https://doi.org/10.1080/00268977100101821
Abstract
Thermodynamic properties of liquid argon are calculated by Monte Carlo and molecular dynamics techniques, using accurate pair-potential functions determined from the properties of solid and gaseous argon, together with the Axilrod-Teller three-body interaction. Satisfactory techniques for evaluating three-body contributions to thermodynamic properties without excessive requirements of computer time are described. Quantum corrections are included. Agreement with experiment is excellent: the best pair and triplet potentials give an excellent description of the properties of solid, gaseous and liquid argon.Keywords
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