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

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

2004-01-30

arxiv.org/abs/cond-mat/0401620v1

Phys. Rev. B 70, 195104 (2004)

Physics

Condensed Matter

Strongly Correlated Electrons

16 pages, 5 figures

Scientific paper

10.1103/PhysRevB.70.195104

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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