Molecular-dynamics simulations in systems of rare gases using Axilrod-Teller and exchange three-atom interactions

E. E. Polymeropoulos, P. Bopp, J. Brickmann, L. Jansen, and R. Block
Phys. Rev. A 31, 3565 – Published 1 June 1985
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Abstract

Molecular-dynamics simulations on cluster formation in compressed argon and xenon gases were performed, with use of a Lennard-Jones (6,12) potential together with Axilrod-Teller three-atom interactions and those of exchange type, applying results of a recent analysis of these three-body potentials [Phys. Rev. A 30, 1593 (1984)]. Selective stabilization of clusters Ar19, Xe13, and Xe19 (possibly also Xe25) was established, predominantly as a result of the three-atom exchange potential. It is conjectured that these exchange contributions, in combination with selective stability due to cluster ionization, explain the phenomena observed in time-of-flight mass spectroscopy experiments on rare-gas-atom clusters.

  • Received 4 December 1984

DOI:https://doi.org/10.1103/PhysRevA.31.3565

©1985 American Physical Society

Authors & Affiliations

E. E. Polymeropoulos, P. Bopp, and J. Brickmann

  • Institut für Physikalische Chemie, Technische Hochschule Darmstadt, Petersenstrasse 20, D-6100 Darmstadt, Federal Republic of Germany

L. Jansen and R. Block

  • Institute of Theoretical Chemistry, University of Amsterdam, Nieuwe Achtergracht 166, NL-1018WV Amsterdam, The Netherlands

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Issue

Vol. 31, Iss. 6 — June 1985

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