Abstract
Quasi-harmonic potential parameters É, Ï and α are determined for the Lennard-Jones and Buckingham potentials for solid Ne, Ar, Kr and Xe, by matching the experimental zero-point values of the sublimation energy, the lattice constant and the compressibility. The potentials for Ar are used to calculate sound velocities between 0 and 80°K, and those for Kr to calculate phonon dispersion curves at 79°K, 0.3 kbar. These results are compared with experiment.
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