Abstract

The harmonic contribution to the high-temperature expansion of the Helmholtz free energy was calculated for the hcp and fcc lattices for an arbitrary analytic central pair potential with interactions extending to first and second neighbors. The numerical method used was not the usual extrapolation based upon a sampling of points in the first Brillouin zone but rather an extrapolation of the properties of finite crystals to the thermodynamic limit ( N → ∞).

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