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

F. Aryasetiawan·M. Imada·A. Georges·G. Kotliar·S. Biermann·A. I. Lichtenstein
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Abstract

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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F. Aryasetiawan, M. Imada, A. Georges, G. Kotliar, S. Biermann, A. I. Lichtenstein. 2004-01-30. Frequency-dependent local interactions and low-energy effective models from electronic structure calculations. https://doi.org/10.1103/physrevb.70.195104

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