Double-expansion impurity solver for multiorbital models with dynamically screened U and J

Karim Steiner, Yusuke Nomura, and Philipp Werner
Phys. Rev. B 92, 115123 – Published 10 September 2015

Abstract

We present a continuous-time Monte Carlo impurity solver for multiorbital impurity models which combines a strong-coupling hybridization expansion and a weak-coupling expansion in the Hund's coupling parameter J. This double-expansion approach allows to treat the dominant density-density interactions U within the efficient segment representation. We test the approach for a two-orbital model with static interactions, and then explain how the double expansion allows to simulate models with frequency dependent U(ω) and J(ω). The method is used to investigate spin-state transitions in a toy model for fullerides, with repulsive bare J but attractive screened J.

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  • Received 6 June 2015

DOI:https://doi.org/10.1103/PhysRevB.92.115123

©2015 American Physical Society

Authors & Affiliations

Karim Steiner1, Yusuke Nomura2, and Philipp Werner1

  • 1Department of Physics, University of Fribourg, 1700 Fribourg, Switzerland
  • 2Centre de Physique Théorique (CPHT), École Polytechnique, CNRS UMR 7644, 91128 Palaiseau Cedex, France

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Vol. 92, Iss. 11 — 15 September 2015

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