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.

*Supported by Center for Computation and Visualization (CCV) at Brown University and Extreme Science and Engineering Discovery Environment (XSEDE). The Flatiron Institute is supported by the Simons Foundation.

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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