Effects of three-body interactions on the structure and thermodynamics of liquid krypton
Soft Condensed Matter
2009-11-07 v1 Statistical Mechanics
Abstract
Large-scale molecular dynamics simulations are performed to predict the structural and thermodynamic properties of liquid krypton using a potential energy function based on the two-body potential of Aziz and Slaman plus the triple-dipole Axilrod-Teller (AT) potential. By varying the strength of the AT potential we study the influence of three-body contribution beyond the triple-dipole dispersion. It is seen that the AT potential gives an overall good description of liquid Kr, though other contributions such as higher order three-body dispersion and exchange terms cannot be ignored.
Keywords
Cite
@article{arxiv.cond-mat/0203163,
title = {Effects of three-body interactions on the structure and thermodynamics of liquid krypton},
author = {N. Jakse and J. M. Bomont and J. L. Bretonnet},
journal= {arXiv preprint arXiv:cond-mat/0203163},
year = {2009}
}
Comments
11 pages, 3 figures, LaTeX, to appear in J. Chem. Phys