Published June 7, 2024 | Version v1
Journal article

Finite-temperature minimally entangled typical thermal states impurity solver

  • 1. Center for Computational Quantum Physics, Flatiron Institute, 162 5th Avenue, New York, New York 10010, USA
  • 2. Université Paris-Saclay, Centre National de la Recherche Scientifique, CEA, Institut de Physique Théorique, 91191 Gif-sur-Yvette, France

Description

We present a minimally entangled typical thermal state quantum impurity solver for general multiorbital systems at finite temperatures. We introduce an improved estimator for the single-particle Green's function that strongly reduces the large fluctuations at long imaginary time and low temperature, which were a severe limitation of the original algorithm. In combination with the fork tensor product states Ansatz, we obtain a dynamical mean field theory (DMFT) quantum impurity solver, which we benchmark for single and three-band models down to low temperatures, including the effect of spin-orbit coupling in a realistic DMFT computation for the Hund's metal Sr2RuO4 down to low temperatures.

Additional details

Identifiers

DOI
10.1103/PhysRevB.109.245113;
arXiv
arXiv:2312.13668;
Crossref Funder ID
10.13039/100000893;

Publishing Information

Journal Title
Physical Review B
Journal Volume
109
Journal Issue
24
Journal Page Range
9 pgs.
ISSN
1550-235X

Optional Information

Copyright
©2024 American Physical Society
Notes
Contact Email: xcao@flatironinstitute.org; Record automatically processed
Funding organization
Simons Foundation