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  1. Interfacing Branching Random Walks with Metropolis Sampling: Constraint Release in Auxiliary-Field Quantum Monte Carlo

    Publication

  2. Solving 2D and 3D lattice models of correlated fermions -- combining matrix product states with mean field theory

    Publication

  3. Solving 2D and 3D lattice models of correlated fermions -- combining matrix product states with mean field theory

    Publication

  4. Ab initio Calculations in Atoms, Molecules, and Solids, Treating Spin-Orbit Coupling and Electron Interaction on Equal Footing

    Publication

  5. Pseudo-BCS wave function from density matrix decomposition: Application in auxiliary-field quantum Monte Carlo

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    We present a method to construct pseudo-BCS wave functions from the one-body density matrix. The resulting many-body wave function, which can be produced for any …

  6. Precision Many-Body Study of the Berezinskii-Kosterlitz-Thouless Transition and Temperature-Dependent Properties in the Two-Dimensional Fermi Gas

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  7. Stripes and spin-density waves in the doped two-dimensional Hubbard model: ground state phase diagram

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  8. Absence of superconductivity in the pure two-dimensional Hubbard model

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    We study the superconducting pairing correlations in the ground state of the doped Hubbard model -- in its original form without hopping beyond nearest neighbor or other perturbing parameters …

  9. Direct comparison of many-body methods for realistic electronic Hamiltonians

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    A large collaboration carefully benchmarks 20 first-principles many-body electronic structure methods on a test set of seven transition metal atoms and their ions and monoxides. Good …

  10. Metal-Insulator and Magnetic Phase Diagram of Ca2RuO4 from Auxiliary Field Quantum Monte Carlo and Dynamical Mean Field Theory

    Publication
    Layered perovskite ruthenium oxides exhibit a striking series of metal-insulator and magnetic-nonmagnetic phase transitions easily tuned by temperature, pressure, epitaxy, and nonlinear drive. In this work …

  11. Ground-state properties of the hydrogen chain: insulator-to-metal transition, dimerization, and magnetic phases

    Publication
    Accurate and predictive computations of the quantum-mechanical behavior of many interacting electrons in realistic atomic environments are critical for the theoretical design of materials with desired properties …

  12. Reaching the continuum limit in finite-temperature ab initio field-theory computations in many-fermion systems

    Publication
    Finite-temperature, grand-canonical computations based on field theory are widely applied in areas including condensed matter physics, ultracold atomic gas systems, and lattice gauge theory. However, these …

  13. Auxiliary Field Quantum Monte Carlo for Multiband Hubbard Models: Controlling the Sign and Phase Problems to Capture Hund's Physics

    Publication
    In the study of strongly-correlated, many-electron systems, the Hubbard Kanamori (HK) model has emerged as one of the prototypes for transition metal oxide physics. The model …

  14. Finite-temperature auxiliary-field quantum Monte Carlo: Self-consistent constraint and systematic approach to low temperatures

    Publication
    We describe an approach for many-body calculations with a finite-temperature, grand canonical ensemble formalism using auxiliary-field quantum Monte Carlo (AFQMC) with a self-consistent constraint …

  15. Auxiliary Field Quantum Monte Carlo for Multiband Hubbard Models: Controlling the Sign and Phase Problems to Capture Hund's Physics

    Publication

  16. Metal-insulator transition in the ground-state of the three-band Hubbard model at half-filling

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    The three-band Hubbard model is a fundamental model for understanding properties of the Copper-Oxygen planes in cuprate superconductors. We use cutting-edge auxiliary-field quantum Monte …

  17. Magnetic orders in the hole doped three-band Hubbard model: spin spirals, nematicity, and ferromagnetic domain walls

    Publication
    The copper-oxygen planes in cuprates have been at the center of the search for a theory of high-temperature superconductivity. We conduct an extensive study of the …

  18. Accurate computations of Rashba spin-orbit coupling in interacting systems: from the Fermi gas to real materials

    Publication
    We describe the treatment of Rashba spin-orbit coupling (SOC) in interacting many-fermion systems within the auxiliary-field quantum Monte Carlo framework, and present a set of …