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We propose a thick-restart block Lanczos method, which is an extension of the thick-restart Lanczos method with the block algorithm, as an eigensolver of the large-scale shell-model calculations. This method has two advantages over the…

Nuclear Theory · Physics 2019-10-02 Noritaka Shimizu , Takahiro Mizusaki , Yutaka Utsuno , Yusuke Tsunoda

We present a hardware agnostic error mitigation algorithm for near term quantum processors inspired by the classical Lanczos method. This technique can reduce the impact of different sources of noise at the sole cost of an increase in the…

We propose a generalized Lanczos method to generate the many-body basis states of quantum lattice models using tensor-network states (TNS). The ground-state wave function is represented as a linear superposition composed from a set of TNS…

Strongly Correlated Electrons · Physics 2022-10-19 Rui-Zhen Huang , Hai-Jun Liao , Zhi-Yuan Liu , Hai-Dong Xie , Zhi-Yuan Xie , Hui-Hai Zhao , Jing Chen , Tao Xiang

The increasing imbalance between the computing capabilities of individual nodes and the internode bandwidth makes it highly desirable for any Lattice QCD algorithm to minimize the amount of internode communication. One of the relatively new…

High Energy Physics - Lattice · Physics 2019-01-09 Yong-Chull Jang , Chulwoo Jung

This paper describes the software package Cucheb, a GPU implementation of the filtered Lanczos procedure for the solution of large sparse symmetric eigenvalue problems. The filtered Lanczos procedure uses a carefully chosen polynomial…

Numerical Analysis · Mathematics 2024-09-24 Jared L. Aurentz , Vassilis Kalantzis , Yousef Saad

We develop a block minimum residual (MINRES) algorithm for symmetric indefinite matrices. This version is built upon the band Lanczos method that generates one basis vector of the block Krylov subspace per iteration rather than a whole…

Numerical Analysis · Mathematics 2014-10-01 Kirk M. Soodhalter

The Lanczos method is a fast and memory-efficient algorithm for solving large-scale symmetric eigenvalue problems. However, its rapid convergence can deteriorate significantly when computing clustered eigenvalues due to a lack of cluster…

Numerical Analysis · Mathematics 2025-07-15 Nian Shao

Quadratic minimization problems with orthogonality constraints (QMPO) play an important role in many applications of science and engineering. However, some existing methods may suffer from low accuracy or heavy workload for large-scale…

Numerical Analysis · Mathematics 2023-04-25 Bo Feng , Gang Wu

The GW approximation is widely used for reliable and accurate modeling of single-particle excitations. It also serves as a starting point for many theoretical methods, such as its use in the Bethe-Salpeter equation (BSE) and dynamical…

Computational Physics · Physics 2024-03-25 Weiwei Gao , Zhao Tang , Jijun Zhao , James R. Chelikowsky

We improve the convergence of the Lanczos algorithm using the matrix product state representation. As an alternative to the density matrix renormalization group (DMRG), the Lanczos algorithm avoids local minima and can directly find…

Strongly Correlated Electrons · Physics 2025-12-22 Yu Wang , Zhangyu Yang , Xingyao Wu , Christian B. Mendl

We present a comparative study of the application of modern eigenvalue algorithms to an eigenvalue problem arising in quantum physics, namely, the computation of a few interior eigenvalues and their associated eigenvectors for the large,…

Computational Physics · Physics 2020-05-04 U. Elsner , V. Mehrmann , F. Milde , R. A. Roemer , M. Schreiber

The analysis of nuclear magnetic resonance parameters, such as the indirect nuclear spin-spin coupling constants, in terms of contributions from localised molecular orbitals is a commonly used approach for gaining a deeper understanding of…

Chemical Physics · Physics 2026-03-23 Sarah L. V. Zahn , Luna Zamok , Sonia Coriani , Stephan P. A. Sauer

In her seminal 1989 work, Greenbaum demonstrated that the results produced by the finite precision Lanczos algorithm after $k$ iterations can be interpreted as exact Lanczos results applied to a larger matrix, whose eigenvalues lie in small…

Numerical Analysis · Mathematics 2025-07-23 Dorota Šimonová , Petr Tichý

Our goal in this paper is to clarify the relationship between the block Lanczos and the block conjugate gradient (BCG) algorithms. Under the full rank assumption for the block vectors, we show the one-to-one correspondence between the…

Numerical Analysis · Mathematics 2025-02-25 Petr Tichý , Gérard Meurant , Dorota Šimonová

We propose efficient preconditioning algorithms for an eigenvalue problem arising in quantum physics, namely the computation of a few interior eigenvalues and their associated eigenvectors for the largest sparse real and symmetric…

Numerical Analysis · Mathematics 2007-06-13 Olaf Schenk , Matthias Bollhoefer , Rudolf A. Roemer

Models of quantum systems scale exponentially with the addition of single-particle states, which can present computationally intractable problems. Alternatively, quantum computers can store a many-body basis of $2^n$ dimensions on $n$…

Quantum Physics · Physics 2023-09-20 Amanda Bowman

We introduce a novel quantum algorithm for the lattice Boltzmann method (LBM) based on the one-step simplified LBM. The structure of the algorithm allows for more flexibility in modelling different physics in contrast to earlier quantum…

We present an efficient method for computing dominant eigenvalues of large, nonsymmetric, diagonalizable matrices based on an adaptive block Lanczos algorithm combined with Chebyshev polynomial filtering. The proposed approach improves…

Numerical Analysis · Mathematics 2025-08-13 M. El Guide , K. Jbilou , K. Lachhab

Efficient matrix trace estimation is essential for scalable computation of log-determinants, matrix norms, and distributional divergences. In many large-scale applications, the matrices involved are too large to store or access in full,…

Numerical Analysis · Mathematics 2025-12-22 Kingsley Yeon , Promit Ghosal , Mihai Anitescu

We examine the accuracy of the microcanonical Lanczos method (MCLM) developed by Long, {\it et al.} [Phys. Rev. B {\bf 68}, 235106 (2003)] to compute dynamical spectral functions of interacting quantum models at finite temperatures. The…

Strongly Correlated Electrons · Physics 2018-04-23 Satoshi Okamoto , Gonzalo Alvarez , Elbio Dagotto , Takami Tohyama