An Auxiliary Field Quantum Monte Carlo study of the Hubbard Kanamori model

ORAL

Abstract

In the physics of strongly-correlated many-electron systems, the Hubbard Kanamori model has been extensively studied as a prototype for transition-metal oxides. The model is multiorbital in nature and contains Hund’s coupling terms. As a result, it may manifest metal-insulator transitions and high-temperature superconductivity. Due to the sign problem, it is mainly studied through the framework of Dynamical Mean-Field Theory (DMFT). We study the model using the ground state Auxiliary Field Quantum Monte Carlo (AFQMC) method. The Hubbard-Stratonovich transformation is applied to the Hund’s coupling and pair-exchange terms. The Constrained Path Approximation is used to control the sign problem. A systematic test is carried out on the accuracy of the approach. The ground state properties of the model will be discussed.

Presenters

  • Hongxia Hao

    Chemistry, Brown Univ

Authors

  • Hongxia Hao

    Chemistry, Brown Univ

  • Brenda Rubenstein

    Department of Chemistry, Brown University, Chemistry, Brown Univ

  • Hao Shi

    Center for Computational Quantum Physics, The Flatiron Institute, The Flatiron Institut, Center for Computational Quantum Physics, Department of Physics, College of William and Mary, Flatiron Institute Simons Foundation, Physics, William & Mary Coll