Morse potential for Ar developed by Jelinek (1972) with sigmoidal smoothing at cutoff

Hao Xu
Morse potential parameterization for Ar (sigmoidal smoothing). The low-temperature limits of the thermal expansivity, specific heat, and Gr√ľneisen parameter of solid argon, krypton, and xenon are calculated from a quasiharmonic two-body central-force model. The form of our interatomic potential and its predicted thermal and elastic properties are in good agreement with interatomic potentials for argon and krypton derived from solid-state properties plus gas viscosities, second-virial coefficients, and molecular-beam scattering data.
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