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Main Authors: Geng, Lei, Kim, Aaram J., Werner, Philipp
Format: Preprint
Published: 2025
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Online Access:https://arxiv.org/abs/2507.20385
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author Geng, Lei
Kim, Aaram J.
Werner, Philipp
author_facet Geng, Lei
Kim, Aaram J.
Werner, Philipp
contents We present a real-frequency third-order strong-coupling impurity solver which employs quantics tensor cross interpolation (QTCI) for an efficient evaluation of the diagram weights. Applying the method to dynamical mean-field theory (DMFT) calculations of the single-band Hubbard model on the Bethe lattice, we clarify the interaction and temperature range in which the third-order approach yields accurate results. Since the calculations are implemented on the real-time/frequency axis, the detailed structure of spectral functions can be obtained without analytical continuation, as we demonstrate with examples for paramagnetic, antiferromagnetic and photo-doped states. Our work establishes a viable path toward high-order, real-frequency impurity solvers for both equilibrium and non-equilibrium DMFT studies.
format Preprint
id arxiv_https___arxiv_org_abs_2507_20385
institution arXiv
publishDate 2025
record_format arxiv
spellingShingle Third-order strong-coupling impurity solver for real-frequency DMFT: Accurate spectral functions for antiferromagnetic and photo-doped states
Geng, Lei
Kim, Aaram J.
Werner, Philipp
Strongly Correlated Electrons
We present a real-frequency third-order strong-coupling impurity solver which employs quantics tensor cross interpolation (QTCI) for an efficient evaluation of the diagram weights. Applying the method to dynamical mean-field theory (DMFT) calculations of the single-band Hubbard model on the Bethe lattice, we clarify the interaction and temperature range in which the third-order approach yields accurate results. Since the calculations are implemented on the real-time/frequency axis, the detailed structure of spectral functions can be obtained without analytical continuation, as we demonstrate with examples for paramagnetic, antiferromagnetic and photo-doped states. Our work establishes a viable path toward high-order, real-frequency impurity solvers for both equilibrium and non-equilibrium DMFT studies.
title Third-order strong-coupling impurity solver for real-frequency DMFT: Accurate spectral functions for antiferromagnetic and photo-doped states
topic Strongly Correlated Electrons
url https://arxiv.org/abs/2507.20385