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Quantum subspace diagonalization and quantum Krylov algorithms offer a feasible, pre- or early-fault tolerant alternative to quantum phase estimation for using quantum computers to estimate the low-lying spectra of quantum systems. However,…

In this paper, we develop algorithms for computing the recurrence coefficients corresponding to multiple orthogonal polynomials on the step-line. We reformulate the problem as an inverse eigenvalue problem, which can be solved using…

Numerical Analysis · Mathematics 2026-03-05 Amin Faghih , Michele Rinelli , Marc Van Barel , Raf Vandebril , Robbe Vermeiren

Exact diagonalization is a powerful numerical method to study isolated quantum many-body systems. This paper provides a review of numerical algorithms to diagonalize the Hamiltonian matrix. Symmetry and the conservation law help us perform…

Statistical Mechanics · Physics 2020-04-29 Jung-Hoon Jung , Jae Dong Noh

An approximate diagonalization method is proposed that combines exact diagonalization and perturbation expansion to calculate low energy eigenvalues and eigenfunctions of a Hamiltonian. The method involves deriving an effective Hamiltonian…

Quantum Physics · Physics 2013-05-30 Mohammad H. Amin , Anatly Yu. Smirnov , Neil G. Dickson , Marshal Drew-Brook

We introduce a new diagonalization method called quasi-sparse eigenvector diagonalization which finds the most important basis vectors of the low energy eigenstates of a quantum Hamiltonian. It can operate using any basis, either orthogonal…

High Energy Physics - Theory · Physics 2009-10-31 Dean Lee , Nathan Salwen , Daniel Lee

We investigate many-body dynamics where the evolution is governed by unitary circuits through the lens of `Krylov complexity', a recently proposed measure of complexity and quantum chaos. We extend the formalism of Krylov complexity to…

Quantum Physics · Physics 2025-01-30 Philippe Suchsland , Roderich Moessner , Pieter W. Claeys

Periodic eigendecomposition, to be formulated in this paper, is a numerical method to compute Floquet spectrum and Floquet vectors along periodic orbits in a dynamical system. It is rooted in numerical algorithms advances in computation of…

Chaotic Dynamics · Physics 2015-08-31 Xiong Ding , Predrag Cvitanović

We consider a random time evolution operator composed of a circuit of random unitaries coupling even and odd neighboring spins on a chain in turn. In spirit of Floquet evolution, the circuit is time-periodic; each timestep is repeated with…

Statistical Mechanics · Physics 2018-10-31 Christoph Sünderhauf , David Pérez-García , David A. Huse , Norbert Schuch , J. Ignacio Cirac

Quantum Krylov subspace methods can extract ground and excited states by diagonalizing the Hamiltonian in a compact variational space. In practice, these spaces are almost always generated by real or imaginary time evolution, forcing a…

Quantum Physics · Physics 2026-03-10 Ayush Asthana

Quantum subspace diagonalization (QSD) algorithms have emerged as a competitive family of algorithms that avoid many of the optimization pitfalls associated with parameterized quantum circuit algorithms. While the vast majority of the QSD…

Quantum Physics · Physics 2022-10-19 Cristian L. Cortes , A. Eugene DePrince , Stephen K. Gray

Within the realm of early fault-tolerant quantum computing (EFTQC), quantum Krylov subspace diagonalization (QKSD) has emerged as a promising quantum algorithm for the approximate Hamiltonian diagonalization via projection onto the quantum…

Quantum Physics · Physics 2025-04-11 Gwonhak Lee , Seonghoon Choi , Joonsuk Huh , Artur F. Izmaylov

We introduce a unitary matrix-product operator (UMPO) based variational method that approximately finds all the eigenstates of fully many-body localized (fMBL) one-dimensional Hamiltonians. The computational cost of the variational…

Strongly Correlated Electrons · Physics 2016-08-03 Frank Pollmann , Vedika Khemani , J. Ignacio Cirac , S. L. Sondhi

In this paper, building on a previous analysis [1] of exact diagonalization of the space-discretized evolution operator for the study of properties of non-relativistic quantum systems, we present a substantial improvement to this method. We…

Statistical Mechanics · Physics 2011-08-08 Ivana Vidanovic , Aleksandar Bogojevic , Antun Balaz , Aleksandar Belic

The Krylov subspace methods, being one category of the most important classical numerical methods for linear algebra problems, can be much more powerful when generalised to quantum computing. However, quantum Krylov subspace algorithms are…

Quantum Physics · Physics 2024-08-14 Zongkang Zhang , Anbang Wang , Xiaosi Xu , Ying Li

In this paper, we propose a decomposition approach for eigenvalue problems with spatial symmetries, including the formulation, discretization as well as implementation. This approach can handle eigenvalue problems with either Abelian or…

Numerical Analysis · Mathematics 2012-11-16 Jun Fang , Xingyu Gao , Aihui Zhou

The complexity of quantum many-body problems scales exponentially with the size of the system, rendering any finite size scaling analysis a formidable challenge. This is particularly true for methods based on the full representation of the…

Strongly Correlated Electrons · Physics 2025-02-19 Robin Schäfer , David J. Luitz

We derive a systematic high-frequency expansion for the effective Hamiltonian and the micromotion operator of periodically driven quantum systems. Our approach is based on the block diagonalization of the quasienergy operator in the…

Quantum Gases · Physics 2015-09-25 André Eckardt , Egidijus Anisimovas

It is significant and challenging to solve eigenvalue problems of partial differential operators when many highly accurate eigenpair approximations are required. The adaptive finite element discretization based parallel orbital-updating…

Numerical Analysis · Mathematics 2025-09-24 Xiaoying Dai , Yan Li , Bin Yang , Aihui Zhou

We construct a dynamical decoupling protocol for accurately generating local and global symmetries in general many-body systems. Multiple commuting and non-commuting symmetries can be created by means of a self-similar-in-time…

Statistical Mechanics · Physics 2020-09-29 Kartiek Agarwal , Ivar Martin

Krylov subspace methods are among the most extensively studied early fault-tolerant quantum algorithms for estimating ground-state energies of quantum systems. However, the rapid onset of ill-conditioning might make accurate energies…

Quantum Physics · Physics 2026-04-14 Maria Gabriela Jordão Oliveira , Karl Michael Ziems , Nina Glaser