Application of Linear Prediction for Extrapolating Recursion Coefficients
The linear prediction theory is used to extrapolate the recursion coefficients and to calculate band limits. The coefficients of the continued fraction are written as sums of complex exponential s. The exponential decays and amplitudes are obtained by a least square fit of the first known coefficients. Application is made to bulk Silicon s and p electronic densities of states. The agreement with an exact one obtained by integration over the Brillouin zone is very good.
KeywordsBrillouin Zone Linear Prediction Lagrange Multiplier Method Recursion Method Order Perturbation Theory
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