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arxiv: cond-mat/0412717 · v1 · submitted 2004-12-27 · ❄️ cond-mat.dis-nn

Maximum entropy and the problem of moments: A stable algorithm

classification ❄️ cond-mat.dis-nn
keywords entropymomentsalgorithmelectronicproblemtechniqueamorphousapplication
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We present a technique for entropy optimization to calculate a distribution from its moments. The technique is based upon maximizing a discretized form of the Shannon entropy functional by mapping the problem onto a dual space where an optimal solution can be constructed iteratively. We demonstrate the performance and stability of our algorithm with several tests on numerically difficult functions. We then consider an electronic structure application, the electronic density of states of amorphous silica and study the convergence of Fermi level with increasing number of moments.

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