A new determination of potential parameters and some vibrational properties of solid neon and xenon

The intermolecular potential parameters of solid Ne and Xe for a Lennard-Jones m -6 potential are calculated using the recent experimental lattice spacing determinations of Bolz and Mauer and Sears and Klug. Values of , σ and the de Boer parameter A are tabulated for values of m = 10, 11, 12, 13 and 14 and for 1N, 2N and A N interactions. We have also included recalculated (quasi-harmonic) values of Θ 0 , Θ ∞ and γ 0 to replace the values given by Horton and Leech. The effect of the strain dependence of the zero-point energy is calculated according to the method of Barron and Klein, and is found to be small.