Lattice dynamics of solid hydrogen chloride

Lattice dynamics of solid hydrogen chloride is studied, assuming a rigid molecule, in the harmonic and pair potential (Lennard-Jones interaction) approximation between atoms with the inclusion of electrostatic interactions between point dipoles placed on atomic centres. The potential parameters for each of the different non-bonded atom pairs were obtained by means of an optimization routine to give a least-squares fit to observed zone centre (k = 0) frequencies, equilibrium conditions and lattice energy of the lattice.