Multiorbital Quantum Impurity Solver for General Interactions and Hybridizations.


Journal

Physical review letters
ISSN: 1079-7114
Titre abrégé: Phys Rev Lett
Pays: United States
ID NLM: 0401141

Informations de publication

Date de publication:
22 May 2020
Historique:
revised: 10 04 2020
received: 19 07 2019
accepted: 11 05 2020
entrez: 6 6 2020
pubmed: 6 6 2020
medline: 6 6 2020
Statut: ppublish

Résumé

We present a numerically exact inchworm Monte Carlo method for equilibrium multiorbital quantum impurity problems with general interactions and hybridizations. We show that the method, originally developed to overcome the dynamical sign problem in certain real-time propagation problems, can also overcome the sign problem as a function of temperature for equilibrium quantum impurity models. This is shown in several cases where the current method of choice, the continuous-time hybridization expansion, fails due to the sign problem. Our method therefore enables simulations of impurity problems as they appear in embedding theories without further approximations, such as the truncation of the hybridization or interaction structure or a discretization of the impurity bath with a set of discrete energy levels, and eliminates a crucial bottleneck in the simulation of ab initio embedding problems.

Identifiants

pubmed: 32501050
doi: 10.1103/PhysRevLett.124.206405
doi:

Types de publication

Journal Article

Langues

eng

Sous-ensembles de citation

IM

Pagination

206405

Auteurs

Eitan Eidelstein (E)

Department of Physics, NRCN, P.O. Box 9001, Beer Sheva 84190, Israel.
School of Chemistry, Tel Aviv University, Tel Aviv 69978, Israel.

Emanuel Gull (E)

Department of Physics, University of Michigan, Ann Arbor, Michigan 48109, USA.
Center for Computational Quantum Physics, Flatiron Institute, New York, New York 10010, USA.

Guy Cohen (G)

School of Chemistry, Tel Aviv University, Tel Aviv 69978, Israel.

Classifications MeSH