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Exact diagonalization (ED) is an essential tool for exploring quantum many-body physics but is fundamentally limited by the exponentially-scaled computational complexity. Here, we propose tensor network variational diagonalization (TNVD),…

Quantum Physics · Physics 2025-08-11 Peng-Fei Zhou , Shuang Qiao , An-Chun Ji , Shi-Ju Ran

The exploration of neural network quantum states has become widespread in the studies of complicated quantum many-body systems. However, achieving high precision remains challenging due to the exponential growth of Hilbert space size and…

Strongly Correlated Electrons · Physics 2025-04-22 Shuai-Tin. Bao , Dian Wu , Pan Zhang , Ling Wang

We present a technique for optimizing hundreds of thousands of variational parameters in variational quantum Monte Carlo. By introducing iterative Krylov subspace solvers and by multiplying by the Hamiltonian and overlap matrices as they…

Strongly Correlated Electrons · Physics 2013-05-30 Eric Neuscamman , C. J. Umrigar , Garnet Kin-Lic Chan

Strong disorder in interacting quantum systems can give rise to the phenomenon of Many-Body Localization (MBL), which defies thermalization due to the formation of an extensive number of quasi local integrals of motion. The one particle…

Disordered Systems and Neural Networks · Physics 2018-03-14 Benjamin Villalonga , Xiongjie Yu , David J. Luitz , Bryan K. Clark

Matrix Product Operators (MPOs) are at the heart of the second-generation Density Matrix Renormalisation Group (DMRG) algorithm formulated in Matrix Product State language. We first summarise the widely known facts on MPO arithmetic and…

Strongly Correlated Electrons · Physics 2017-01-20 C. Hubig , I. P. McCulloch , U. Schollwöck

Constructing matrix product operators (MPO) is at the core of the modern density matrix renormalization group (DMRG) and its time dependent formulation. For DMRG to be conveniently used in different problems described by different…

Chemical Physics · Physics 2020-09-01 Jiajun Ren , Weitang Li , Tong Jiang , Zhigang Shuai

Eigenstates of fully many-body localized (FMBL) systems can be organized into spin algebras based on quasilocal operators called l-bits. These spin algebras define quasilocal l-bit measurement ($\tau^z_i$) and l-bit flip ($\tau^x_i$)…

Disordered Systems and Neural Networks · Physics 2020-02-11 Abishek K. Kulshreshtha , Arijeet Pal , Thorsten B. Wahl , Steven H. Simon

We propose a new variational scheme based on the neural-network quantum states to simulate the stationary states of open quantum many-body systems. Using the high expressive power of the variational ansatz described by the restricted…

Disordered Systems and Neural Networks · Physics 2019-07-03 Nobuyuki Yoshioka , Ryusuke Hamazaki

We propose a framework to design concurrently a frustration-free quantum many-body Hamiltonian and its numerically exact ground states on a sufficiently large finite-size cluster in one and two dimensions using an elementary matrix product…

Strongly Correlated Electrons · Physics 2024-12-17 Hidehiro Saito , Chisa Hotta

We present a diagonalization method for generic matrix valued Hamiltonians based on a formal expansion in power of $\hbar $. Considering $\hbar $ as a running parameter, a differential equation connecting two diagonalization processes for…

Mesoscale and Nanoscale Physics · Physics 2008-11-26 Pierre Gosselin , Jocelyn Hanssen , Herve Mohrbach

To compute approximate solutions for combinatorial optimization problems, we describe variational methods based on the product state (PS) and matrix product state (MPS) ansatzes. We perform variational energy minimization with respect to a…

Quantum Physics · Physics 2025-12-24 Guillermo Preisser , Conor Mc Keever , Michael Lubasch

We study the many-body localization (MBL) properties of the Heisenberg XXZ spin-$\frac12$ chain in a random magnetic field. We prove that the system exhibits localization in any given energy interval at the bottom of the spectrum in a…

Mathematical Physics · Physics 2025-01-08 Alexander Elgart , Abel Klein

We study the spin-$\frac{1}{2}$ Heisenberg antiferromagnet on a series of finite-size clusters with features inspired by the fullerenes. Frustration due to the presence of pentagonal rings makes such structures challenging in the context of…

Condensed Matter · Physics 2009-10-28 N. A. Modine , Efthimios Kaxiras

We present several improvements of the infinite matrix product state (iMPS) algorithm for finding ground states of one-dimensional quantum systems with long-range interactions. As a main new ingredient we introduce the superposed…

Quantum Physics · Physics 2013-03-19 V. Nebendahl , W. Dür

Variational hybrid quantum-classical algorithms are promising candidates for near-term implementation on quantum computers. In these algorithms, a quantum computer evaluates the cost of a gate sequence (with speedup over classical cost…

Quantum Physics · Physics 2019-06-27 Ryan LaRose , Arkin Tikku , Étude O'Neel-Judy , Lukasz Cincio , Patrick J. Coles

We show that the one-particle density matrix $\rho$ can be used to characterize the interaction-driven many-body localization transition in closed fermionic systems. The natural orbitals (the eigenstates of $\rho$) are localized in the…

Strongly Correlated Electrons · Physics 2015-07-28 Soumya Bera , Henning Schomerus , Fabian Heidrich-Meisner , Jens H. Bardarson

In this paper we discuss the utilization of Variational Quantum Solver (VQE) and recently introduced Generalized Unitary Coupled Cluster (GUCC) formalism for the diagonalization of downfolded/effective Hamiltonians in active spaces. In…

Quantum Physics · Physics 2020-11-05 Nicholas P. Bauman , Jaroslav Chládek , Libor Veis , Jiří Pittner , Karol Kowalski

In this study we present an optimization method based on the quantum Monte Carlo diagonalization for many-fermion systems. Using the Hubbard-Stratonovich transformation, employed to decompose the interactions in terms of auxiliary fields,…

Strongly Correlated Electrons · Physics 2009-11-13 Takashi Yanagisawa

Many-body localization (MBL) is understood theoretically through the existence of an extensive number of local integrals of motion (LIOMs). These conserved quantities are related to the microscopic quantum degrees of freedom that are…

Disordered Systems and Neural Networks · Physics 2025-12-11 Ben Craps , Oleg Evnin , Dmitry Kovrizhin , Gabriele Pascuzzi

We numerically investigate 1D Bose-Hubbard chains with onsite disorder by means of exact diagonalization. A primary focus of our work is on characterizing Fock-space localization in this model from the single-particle perspective. For this…

Strongly Correlated Electrons · Physics 2020-07-20 Miroslav Hopjan , Fabian Heidrich-Meisner