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Exact diagonalization (ED) is one of the most reliable and established numerical methods of quantum many-body theory. The main limiting factor of the method is the exponential scaling of Hilbert space dimension with system size.…

Strongly Correlated Electrons · Physics 2021-09-30 Tom Westerhout

Tensor network methods as presented in our open source Matrix Product States software have opened up the possibility to study many-body quantum physics in one and quasi-one-dimensional systems in an easily accessible package similar to…

Quantum Gases · Physics 2018-10-29 Daniel Jaschke , Lincoln D. Carr

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

The approximate joint diagonalization (AJD) is an important analytic tool at the base of numerous independent component analysis (ICA) and other blind source separation (BSS) methods, thus finding more and more applications in medical…

Computation · Statistics 2009-04-07 Marco Congedo , Dinh-Tuan Pham

We present an exact diagonalization C++ template library (EDLib) for solving quantum electron models, including single-band finite Hubbard cluster and multi-orbital impurity Anderson model. The observables that can be computed using EDLib…

Strongly Correlated Electrons · Physics 2018-01-11 Sergei Iskakov , Michael Danilov

Thermalization and its breakdown in interacting quantum many-body systems are governed by mid-spectrum eigenstates, which are typically accessible only in small system sizes amenable to exact diagonalization. Here we demonstrate that the…

Strongly Correlated Electrons · Physics 2026-03-31 Andrew Hallam , Jared Jeyaretnam , Zlatko Papić

Quantum subspace diagonalization (QSD) methods are quantum-classical hybrid methods, commonly used to find ground and excited state energies by projecting the Hamiltonian to a smaller subspace. In applying these, the choice of subspace…

Quantum Physics · Physics 2022-09-23 Akhil Francis , Anjali A. Agrawal , Jack H. Howard , Efekan Kökcü , A. F. Kemper

We present EDIpack, an exact diagonalization package to solve generic quantum impurity problems. The algorithm includes a generalization of the look-up method introduced in [Lin, Gubernatis Comput. Phys., 7 (4) (1993), 400] and enables a…

Computational Physics · Physics 2022-01-06 A. Amaricci , L. Crippa , A. Scazzola , F. Petocchi , G. Mazza , L. de Medici , M. Capone

In these lecture notes, we present a pedagogical review of a number of related {\it numerically exact} approaches to quantum many-body problems. In particular, we focus on methods based on the exact diagonalization of the Hamiltonian matrix…

Strongly Correlated Electrons · Physics 2007-05-23 Reinhard M. Noack , Salvatore R. Manmana

The density matrix renormalization group (DMRG) algorithm is a cornerstone computational method for studying quantum many-body systems, renowned for its accuracy and adaptability. Despite DMRG's broad applicability across fields such as…

Computational Physics · Physics 2026-03-24 Per Sehlstedt , Jan Brandejs , Paolo Bientinesi , Lars Karlsson

Exact diagonalization (ED) of small model systems gives the thermodynamics of spin chains or quantum cell models at high temperature $T$. Density matrix renormalization group (DMRG) calculations of progressively larger systems are used to…

Strongly Correlated Electrons · Physics 2019-05-16 Sudip Kumar Saha , Dayasindhu Dey , Manoranjan Kumar , Zoltán G. Soos

Accurately solving the Schr\"odinger equation remains a central challenge in computational physics, chemistry, and materials science. Here, we propose an alternative eigenvalue problem based on a system's autocorrelation function, avoiding…

Quantum Physics · Physics 2025-07-22 Timothy Stroschein , Davide Castaldo , Markus Reiher

Computing the exact dynamics of many-body quantum systems becomes intractable as system size grows. Here, we present a symmetry-based method that provides an exponential reduction in the complexity of a broad class of such problems…

The development of polynomial cost solvers for correlated quantum impurity models, with controllable errors, is a central challenge in quantum many-body physics, where these models find applications ranging from nano-science to the…

Strongly Correlated Electrons · Physics 2012-12-21 Dominika Zgid , Emanuel Gull , Garnet Chan

In the Hamiltonian formulation, Quantum Field Theory calculations scale exponentially with spatial volume, making real-time simulations intractable on classical computers and motivating quantum computation approaches. In Hamiltonian…

High Energy Physics - Lattice · Physics 2025-11-03 Zong-Gang Mou , Bipasha Chakraborty

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

We present algorithmic improvements for fast and memory-efficient use of discrete spatial symmetries in Exact Diagonalization computations of quantum many-body systems. These techniques allow us to work flexibly in the reduced basis of…

Strongly Correlated Electrons · Physics 2018-10-05 Alexander Wietek , Andreas M. Läuchli

Two-dimensional coherent spectroscopy (2DCS) with terahertz radiation offers a promising new avenue for the exploration of many-body phenomena in quantum magnets. This includes the potential diagnosis of fractionalized excitations, for…

Strongly Correlated Electrons · Physics 2024-10-29 Yoshito Watanabe , Simon Trebst , Ciarán Hickey

Future e-mobility calls for efficient electrical machines. For different areas of operation, these machines have to satisfy certain desired properties that often depend on their design. Here we investigate the use of multipatch Isogeometric…

Numerical Analysis · Mathematics 2026-04-02 Peter Gangl , Ulrich Langer , Angelos Mantzaflaris , Rainer Schneckenleitner

Quantum computation has the potential to revolutionize quantum chemistry through major speedups to computation times and exponential reduction of computational resources. Here, we combine the symmetry-adapted Jordan-Wigner encoding based on…

Chemical Physics · Physics 2025-08-21 Joseph Desroches , Sijia S. Dong
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