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Non-perturbative analytical diagonalization of Hamiltonians with application to ZZ-coupling suppression and enhancement.

Boxi Li, Tommaso Calarco, Felix Motzoi

Published Dec 1, 2021• 0 citations
OpenAlex

Abstract

Deriving effective Hamiltonian models plays an essential role in quantum theory, with particular emphasis in recent years on control and engineering problems. In this work, we present two symbolic methods for computing effective Hamiltonian models: the Non-perturbative Analytical Diagonalization (NPAD) and the Recursive Schrieffer-Wolff Transformation (RSWT). NPAD makes use of the Jacobi iteration and works without the assumptions of perturbation theory while retaining convergence, allowing to treat a very wide range of models. In the perturbation regime, it reduces to RSWT, which takes advantage of an in-built recursive structure where remarkably the number of terms increases only linearly with perturbation order, exponentially decreasing the number of terms compared to the ubiquitous Schrieffer-Wolff method. Both methods consist of elementary algebra and can be easily automated to obtain closed-form expressions. To demonstrate the application of the methods, we study the ZZ interaction of superconducting qubits systems in two different parameter regimes. In the near-resonant regime, the method produces an analytical expression for the effective ZZ interaction strength, with an improvement of at least one order of magnitude compared to neglecting the comparably further detuned state. In the dispersive regime, we calculate perturbative corrections up to the 8th order and accurately identify a regime where ZZ interaction is suppressed in a simple model with only resonator-mediated coupling.

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Deriving effective Hamiltonian models plays an essential role in quantum theory, with particular emphasis in recent years on control and engineering problems. In this work, we present two symbolic methods for computing effective Hamiltonian models: the Non-perturbative Analytical Diagonalization (NPAD) and the Recursive Schrieffer-Wolff Transformation (RSWT). NPAD makes use of the Jacobi iteration and works without the assumptions of perturbation theory while retaining convergence, allowing to treat a very wide range of models. In the perturbation regime, it reduces to RSWT, which takes advantage of an in-built recursive structure where remarkably the number of terms increases only linearly with perturbation order, exponentially decreasing the number of terms compared to the ubiquitous Schrieffer-Wolff method. Both methods consist of elementary algebra and can be easily automated to obtain closed-form expressions. To demonstrate the application of the methods, we study the ZZ interaction of superconducting qubits systems in two different parameter regimes. In the near-resonant regime, the method produces an analytical expression for the effective ZZ interaction strength, with an improvement of at least one order of magnitude compared to neglecting the comparably further detuned state. In the dispersive regime, we calculate perturbative corrections up to the 8th order and accurately identify a regime where ZZ interaction is suppressed in a simple model with only resonator-mediated coupling.
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.
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.
Effective models make complex quantum dynamics tractable by retaining only the states, processes, and timescales relevant to a given physical question. Their predictive power, however, depends on treating the retained manifold, initial state, observables, micromotion, dissipative channels, and eliminated degrees of freedom consistently. We develop a unified framework for constructing and validating effective descriptions using projection methods, Schrieffer--Wolff transformations, Magnus expansions, adiabatic elimination, small rotations, time coarse graining, and Floquet theory. The quantum Rabi model and its dispersive limits serve as recurring benchmarks for identifying control parameters, virtual processes, spectral corrections, observable dressing, and breakdown. Higher-order resonances and applications to collective light--matter coupling, Raman processes, spin-chain buses, lossy mediators, and driven lattices illustrate how effective interactions can be interpreted and designed. A physical prediction is organized into three order-consistent steps: encoding into the retained description, evolution under the effective dynamics, and reconstruction of the physical observable. This viewpoint exposes failures caused by leakage, small denominators, neglected micromotion, inconsistent observables, memory effects, or incorrectly transformed dissipation, while linking derivation, physical interpretation, and mechanism-guided discovery. Companion notebooks provide QuTiP implementations, convergence tests, and microscopic-to-effective comparisons.
An open question in designing superconducting quantum circuits is how best to reduce the full circuit Hamiltonian which describes their dynamics to an effective two-level qubit Hamiltonian which is appropriate for manipulation of quantum information. Despite advances in numerical methods to simulate the spectral properties of multi-element superconducting circuits (Yurke B and Denker J S 1984 Phys. Rev. A 29 1419, Reiter F and Sørensen A S 2012 Phys. Rev. A 85 032111 and Amin M H et al 2012 Phys. Rev. A 86 052314), the literature lacks a consistent and effective method of determining the effective qubit Hamiltonian. Here we address this problem by introducing a novel local basis reduction method. This method does not require any ad hoc assumption on the structure of the Hamiltonian such as its linear response to applied fields. We numerically benchmark the local basis reduction method against other Hamiltonian reduction methods in the literature and report specific examples of superconducting qubits, including the capacitively-shunted flux qubit, where the standard reduction approaches fail. By combining the local basis reduction method with the Schrieffer–Wolff transformation we further extend its applicability to systems of interacting qubits and use it to extract both non-stoquastic two-qubit Hamiltonians and three-local interaction terms in three-qubit Hamiltonians.
We present a systematic method to implement a perturbative Hamiltonian diagonalization based on the time-dependent Schrieffer-Wolff transformation. Applying our method to strong parametric interactions we show how, even in the dispersive regime, full Rabi model physics is essential to describe the dressed spectrum. Our results unveil several qualitatively different results, including realization of large energy-level shifts, tunable in magnitude and sign with the frequency and amplitude of the pump mediating the parametric interaction. Crucially, Bloch-Siegert shifts, typically thought to be important only in the ultrastrong or deep-strong coupling regimes, can be rendered large even for weak dispersive interactions to realize points of exact cancelation of dressed shifts (``blind spots'') at specific pump frequencies. The framework developed here highlights the rich physics accessible with time-dependent interactions and serves to significantly expand the functionalities for control and readout of strongly interacting quantum systems.