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Frequency-dependent local interactions and low-energy effective models from electronic structure calculations

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arxiv cond-mat/0401620 v1 pith:SZFIGCZH submitted 2004-01-30 cond-mat.str-el

classification cond-mat.str-el
keywords effectivefrequency-dependentinteractionlocallow-energymodelsproposeaccount
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We propose a systematic procedure for constructing effective models of strongly correlated materials. The parameters, in particular the on-site screened Coulomb interaction U, are calculated from first principles, using the GW approximation. We derive an expression for the frequency-dependent U and show that its high frequency part has significant influence on the spectral functions. We propose a scheme for taking into account the energy dependence of U, so that a model with an energy-independent local interaction can still be used for low-energy properties.

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