Least squares refinement of valence force constants in crystal dynamics

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Abstract
A mathematical treatment for obtaining the valence force field parameters for crystals from the knowledge of the experimental phonon frequencies inside the first Brillouin Zone has been proposed. Formulae for expressing the hermitian dynamical matrix of the crystal in a parametric form as a function of the internal Wilson's force constants are given. It is also shown how cartesian symmetry coordinates can be used for a block factorization of the dynamical matrix.