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Exact Self-Consistent Effective Hamiltonian Theory

ORAL

Abstract

Exact solutions to interacting many-body fermionic systems, especially in dimensions higher than one, have always been the holy grail for quantum physicists. Computationally, the exponential growth of the Fock-Hilbert space's dimension with the size of the system (number of fermions, for example) also makes it a benchmark problem for quantum computations. We propose a general variational fermionic many-body wavefunction that generates an effective Hamiltonian in a quadratic form, which can then be exactly solved. The theory can be constructed within the density functional theory framework, and a self-consistent scheme is proposed for solving the exact density functional theory. Numerical algorithm based on the theory and results on some prototype systems are presented to illustrate the potential of the theory.

Presenters

  • Xindong Wang

    Sophyics Technology, LLC

Authors

  • Xindong Wang

    Sophyics Technology, LLC

  • Xiao Chen

    University of Florida, Department of Physics, University of Florida

  • Liqin Ke

    Ames Laboratory, Ames Laboratory, U.S. Department of Energy, Ames, Iowa 50011, USA, Iowa State University, Ames Laboratory, U.S. Department of Energy

  • Hai-Ping Cheng

    University of Florida, Department of Physics, Center for Molecular Magnetic Quantum Materials and Quantum Theory Project, University of Florida, Department of Physics, University of Florida, Physics, University of Florida

  • Bruce Harmon

    Ames Laboratory, U.S. Department of Energy