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 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
INIS
- Country of Publication
- United States
- Country of Input or Organization
- International Atomic Energy Agency (IAEA)
- Subject category
- S71: CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSICS; S75: CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY;
- Descriptors DEI
- ALGORITHMS; BAND THEORY; CALCULATION METHODS; FIELD THEORIES; FLUCTUATIONS; GREEN FUNCTION; IMPURITIES; L-S COUPLING; MEAN-FIELD THEORY; METALS; MIXED STATE; MIXED STATES; QUANTUM ENTANGLEMENT; QUANTUM STATES; STRONTIUM COMPOUNDS; TENSORS
- Descriptors DEC
- ALKALINE EARTH METAL COMPOUNDS; COUPLING; ELEMENTS; FUNCTIONS; INTERMEDIATE COUPLING; MATHEMATICAL LOGIC; QUANTUM STATES; VARIATIONS
Optional Information
- Copyright
- ©2024 American Physical Society
- Notes
- Contact Email: xcao@flatironinstitute.org; Record automatically processed
- Funding organization
- Simons Foundation