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Quantum Monte Carlo impurity solvers for multi-orbital problems and frequency-dependent interactions

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Shinaoka, Hiroshi ; Assaad, Fakher ; Blümer, Nils ; Werner, Philipp:
Quantum Monte Carlo impurity solvers for multi-orbital problems and frequency-dependent interactions.
In: European physical journal special topics : ST. 226 (10. Juli 2017) 11. - S. 2499-2523.
ISSN 1951-6401

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https://doi.org/10.1140/epjst/e2017-70050-x

Kurzfassung/Abstract

The solution of an auxiliary quantum impurity system is the computationally expensive step in dynamical mean field theory simulations of lattice models and materials. In this review, we discuss Monte Carlo based impurity solvers, which are suitable for a wide range of applications. In particular, we present an efficient implementation of the hybridization expansion approach, which enables the simulation of multiorbital impurity problems with off-diagonal and complex hybridizations, and dynamically screened (retarded) density-density interactions. As a complementary approach, we discuss an impurity solver based on the determinant Monte Carlo method, which scales favorably with inverse temperature and hence provides access to the very low temperature regime. The usefulness of these state-of-the-art impurity solvers is demonstrated with applications to the downfolding problem, i.e., the systematic derivation of dynamically screened interactions for low-energy effective models, and to pyrochlore iridates, where the spin-orbit coupling leads to complex hybridization functions in a multi-orbital system. As a benchmark for cluster extensions of dynamical mean field theory, we also present results from lattice Monte Carlo simulations for the momentum dependence of the pseudo-gap in the half-filled two-dimensional Hubbard model.

Forschungsprojekte

DFG Research Unit FOR 1346: Dynamical Mean-Field Approach with Predictive Power for Strongly Correlated Materials Project 8: Quantum Monte Carlo impurity solvers for multi-orbital problems and frequency-dependent interactions (Assaad, Blümer, Werner)

Weitere Angaben

Publikationsform:Artikel
Schlagwörter:quantum Monte Carlo; physics; electronic correlations
Sprache des Eintrags:Englisch
Institutionen der Universität:Zentrale Einrichtungen > Universitätsrechenzentrum
DOI / URN / ID:10.1140/epjst/e2017-70050-x
Open Access: Freie Zugänglichkeit des Volltexts?:Ja
Peer-Review-Journal:Ja
Verlag:Springer
Die Zeitschrift ist nachgewiesen in:
Titel an der KU entstanden:Ja
KU.edoc-ID:19526
Eingestellt am: 24. Jul 2017 15:18
Letzte Änderung: 05. Feb 2022 12:03
URL zu dieser Anzeige: https://edoc.ku.de/id/eprint/19526/
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