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Harmonic Approximation

If the displacements of the ions from their average positions are assumed to be small and the interaction potential is regular enough it's natural to expand the ion-ion energy in a Taylor series; since the average positions are assumed to be stable points the first term in this expansion vanishes whereas the second gives a positive definite quadratic form in the displacement differences:

 

So we arrive at the problem of a set of coupled harmonic oscillators.


Michael Gruber
Michael.Gruber@Uni-Augsburg.DE