Interatomic potentials for krypton and xenon

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Accurate potentials for ground state krypton-krypton and xenon-xenon interactions are derived using a wide range of experimental evidence including second virial coefficients, gas transport properties, solid state data, known long-range interactions, spectroscopic information on dimers, and new measurements of differential scattering cross sections. In calculating solid-state properties account is taken of long-range many-body interactions. The use of the potentials permits a critical intercomparison of various kinds of experimental data. A "corresponding states" comparison of the shapes of the potentials for different inert gas pairs is given. It is concluded that contributions of overlap-dependent many-body interactions to condensed-phase properties of argon, krypton, and xenon are very small. Copyright © 1974 American Institute of Physics.

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The Journal of Chemical Physics