4.6 Article

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

Journal

PHYSICAL REVIEW B
Volume 92, Issue 11, Pages -

Publisher

AMER PHYSICAL SOC
DOI: 10.1103/PhysRevB.92.115123

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Funding

  1. SNF [200021-140648]

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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(omega) and J (omega). 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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