APS Logo

A Multiorbital Quantum Impurity Solver for General Interactions and Hybridizations

ORAL

Abstract

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.

Presenters

  • Guy Cohen

    Chemistry, Tel Aviv University, Tel Aviv University, School of Chemistry, Tel Aviv University

Authors

  • Eitan Eidelstein

    Department of Physics, NRCN, Israel

  • Emanuel Gull

    Univ of Michigan - Ann Arbor, Physics, University of Michigan, Department of Physics, University of Michigan

  • Guy Cohen

    Chemistry, Tel Aviv University, Tel Aviv University, School of Chemistry, Tel Aviv University