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arXiv:2212.11089 · Physical review. B./Physical review. B

Recursive relations and quantum eigensolver algorithms within modified Schrieffer-Wolff transformations for the Hubbard dimer

Quentin Marécat, Bruno Senjean, Matthieu Saubanère

Published Apr 6, 2023• 3 citations
arXivHTMLPDF

Abstract

We derive recursive relations for the Schrieffer-Wolff (SW) transformation applied to the half-filled Hubbard dimer. While the standard SW transformation is set to block-diagonalize the transformed Hamiltonian solely at the first order of perturbation, we infer from recursive relations two types of modifications, variational or iterative, that approximate, or even enforce for the homogeneous case, the desired block-diagonalization at infinite order of perturbation. The modified SW unitary transformations are then used to design an test quantum algorithms adapted to the noisy and fault-tolerant era. This work paves the way toward the design of alternative quantum algorithms for the general Hubbard Hamiltonian.

DOI
10.1103/physrevb.107.155110

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We derive recursive relations for the Schrieffer-Wolff (SW) transformation applied to the half-filled Hubbard dimer. While the standard SW transformation is set to block-diagonalize the transformed Hamiltonian solely at the first order of perturbation, we infer from recursive relations two types of modifications, variational or iterative, that approximate, or even enforce for the homogeneous case, the desired block-diagonalization at infinite order of perturbation. The modified SW unitary transformations are then used to design an test quantum algorithms adapted to the noisy and fault-tolerant era. This work paves the way toward the design of alternative quantum algorithms for the general Hubbard Hamiltonian.
The Schrieffer-Wolff transformation aims to solve degenerate perturbation problems and give an effective Hamiltonian that describes the low-energy dynamics of the exact Hamiltonian in the low-energy subspace of an unperturbed Hamiltonian. This unitary transformation decoupling the low-energy and high-energy subspaces for the transformed Hamiltonian can be realized by quantum circuits. We give a fully quantum algorithm for realizing the SW transformation. We also propose a hybrid quantum-classical algorithm for finding the effective Hamiltonian on NISQ hardware, where a general cost function is used to indicate the decoupling degree. Numerical simulations without or with noise and experiments on quantum computer ibmq_manila are implemented for a Heisenberg chain model. Our results verify the algorithm and show its validity on near-term quantum computers.
We present an extension of many-body downfolding methods to reduce the resources required in the quantum phase estimation (QPE) algorithm. In this paper, we focus on the Schrieffer–Wolff (SW) transformation of the electronic Hamiltonians for molecular systems that provides significant simplifications of quantum circuits for simulations of quantum dynamics. We demonstrate that by employing Fock-space variants of the SW transformation (or rank-reducing similarity transformations (RRST)) one can significantly increase the locality of the qubit-mapped similarity-transformed Hamiltonians. The practical utilization of the SW-RRST formalism is associated with a series of approximations discussed in the manuscript. In particular, amplitudes that define RRST can be evaluated using conventional computers and then encoded on quantum computers. The SW-RRST QPE quantum algorithms can also be viewed as an extension of the standard state-specific coupled-cluster downfolding methods to provide a robust alternative to the traditional QPE algorithms to identify the ground and excited states for systems with various numbers of electrons using the same Fock-space representations of the downfolded Hamiltonian. The RRST formalism serves as a design principle for developing new classes of approximate schemes that reduce the complexity of quantum circuits.
Schrieffer-Wolff transformation is extensively used in quantum many-body physics to calculate the low energy effective Hamiltonian. It offers a perturbative method to understand the renormalization effects in the strong coupling regime of the quantum many-body models. The generator for Schrieffer-Wolff transformation is calculated using heuristic methods. It is highly desirable to have a rigorous, systematic and simple method for the calculation of generator for this highly important transformation. In this paper, we put forward such a method. We demonstrate our method by applying it to few well-known models from various fields like strongly correlated electron systems, quantum optics and cavity quantum electrodynamics. Our method can be applied to a broad class of quantum many-body Hamiltonians.
The Schrieffer-Wolff transformation (SWT) is a foundational perturbative method for deriving effective Hamiltonians in quantum systems by systematically eliminating couplings between pairs of energy distant subspaces. Despite recent advancements, the implementation of SWTs for sufficiently complex systems remains computationally challenging and often requires extensive calculations that are prone to errors. In this work, we introduce an analytical software tool, SymPT (Symbolic Perturbation Theory), designed to automate the SWT and its extensions. Building on a universal framework developed in recent research, SymPT provides a systematic and generalizable solution for deriving the generator of the transformation, enabling accurate computation of effective Hamiltonians for arbitrary perturbative systems. The tool supports both time-independent and time-periodic Hamiltonians, extending beyond standard SWT to incorporate arbitrary coupling elimination, block-diagonalization and full-diagonalization routines, thus enabling precise handling of systems with intricate energy structures.
The description of nonequilibrium dynamics in interacting quantum systems is a long-standing challenge within condensed matter physics. In this theoretical work, the authors introduce a method to block-diagonalize low-energy sectors of strongly interacting Hamiltonians by variationally computing generators of rotations, equivalent to a nonperturbative dressing of quasiparticle excitations. This procedure allows for the calculation of effective dynamics including quenches and response functions, as is demonstrated in a Fermi-Hubbard model and an integrability-broken XY model, both of which demonstrate excellent convergence.
Modern quantum physics is very modular: we first understand basic building blocks (``XXZ Hamiltonian'' ``Jaynes-Cummings'' etc.) and then combine them to explore novel effects. A typical example is placing known systems inside an optical cavity. The Schrieffer-Wolff perturbation method is particularly suited for dealing with these problems, since it casts the perturbation expansion in terms of operator corrections to a Hamiltonian, which is more intuitive than energy level corrections, as in traditional time-independent perturbation theory. However, the method lacks a systematic approach.% and has largely remained a niche topic. In these notes we discuss how \emph{eigenoperator decompositions}, a concept largely used in open quantum systems, can be employed to construct an intuitive and systematic formulation of Schrieffer-Wolff perturbation theory. To illustrate this we revisit various papers in the literature, old and new, and show how they can instead be solved using eigenoperators. Particular emphasis is given to perturbations that couple two systems with very different transition frequencies (highly off-resonance), leading to the so-called dispersive interactions.