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

F. Aryasetiawan, M. Imada, A. Georges, G. Kotliar, S. Biermann, and A. I. Lichtenstein
Phys. Rev. B 70, 195104 – Published 11 November 2004

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 random-phase approximation. We derive an expression for the frequency-dependent U(ω) and show, for the case of nickel, 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(ω), so that a model with an energy-independent local interaction can still be used for low-energy properties.

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  • Received 18 January 2004

DOI:https://doi.org/10.1103/PhysRevB.70.195104

©2004 American Physical Society

Authors & Affiliations

F. Aryasetiawan1, M. Imada2,3, A. Georges4,5, G. Kotliar6, S. Biermann4, and A. I. Lichtenstein7

  • 1Research Institute for Computational Sciences, AIST, 1-1-1 Umezono, Tsukuba Central 2, Ibaraki 305-8568, Japan
  • 2Institute for Solid State Physics, University of Tokyo, Kashiwacha, Kashiwa, Chiba 277-8581, Japan
  • 3PRESTO, Japan Science and Technology Agency, Japan
  • 4Centre de Physique Theorique, Ecole Polytechnique, 91128 Palaiseau, France
  • 5LPT-ENS CNRS-UMR 8549, 24 Rue Lhomond, 75231 Paris Cedex 05, France
  • 6Department of Physics and Astronomy, Serin Physics Laboratory, Rutgers University, Piscataway, New Jersey 08854-8019, USA
  • 7University of Nijmegen, NL-6525 ED, Nijmegen, The Netherlands

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Issue

Vol. 70, Iss. 19 — 15 November 2004

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