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    Variational wavefunction for a Mott insulator at finite U using ancilla qubits

    Boran Zhou1,*, Hui-Ke Jin2,*, and Ya-Hui Zhang1

    • 1William H. Miller III Department of Physics and Astronomy, Johns Hopkins University, Baltimore, Maryland 21218, USA
    • 2State Key Laboratory of Quantum Functional Materials, School of Physical Science and Technology, ShanghaiTech University, Shanghai 201210, China

    • *These authors contributed equally to this work.

    Phys. Rev. B 112, 115159 – Published 29 September, 2025

    DOI: https://doi.org/10.1103/8knn-mr5x

    Abstract

    The Mott regime with finite U offers a promising platform for exploring phases of matter, such as quantum spin liquids (QSL) that exhibit fractionalization and emergent gauge field. Here, we provide a wavefunction, dubbed ancilla wavefunction, to capture both charge and spin (gauge) fluctuations in QSLs at finite U. The ancilla wavefunction can unify the Fermi liquid and Mott insulator phases with a single variation parameter Φ tuning the charge gap. As Φ→∞, the wavefunction reduces to the Gutzwiller-projected state, while at Φ=U/2, it is effectively equivalent to applying an inverse Schrieffer-Wolff transformation to the Gutzwiller-projected state. This wavefunction can be numerically simulated in the matrix product state representation, and its performance is supported by numerical results for both one- and two-dimensional Hubbard models. Besides, we propose the possibility of a narrow regime of fractional Fermi-liquid phase between the usual Fermi liquid and the Mott insulator phases close to the metal-insulator transition, a scenario typically overlooked by the conventional slave rotor theory. Our ancilla wavefunction offers a conceptual framework and a powerful numerical tool for understanding Mott physics.

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