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For large scale electronic structure calculation, the Krylov subspace method is introduced to calculate the one-body density matrix instead of the eigenstates of given Hamiltonian. This method provides an efficient way to extract the…

Materials Science · Physics 2009-11-10 Ryu Takayama , Takeo Hoshi , Takeo Fujiwara

The availability of efficient Krylov subspace solvers play a vital role for the solution of a variety of numerical problems in computational science. Here we consider lattice field theory. We present a new general numerical method to…

High Energy Physics - Lattice · Physics 2009-10-28 U. Glaessner , S. Guesken , Th. Lippert , G. Ritzenhoefer , K. Schilling , A. Frommer

In this article, we propose an algorithm for approximating the action of $\varphi-$functions of matrices against vectors, which is a key operation in exponential time integrators. In particular, we consider matrices with Kronecker sum…

Numerical Analysis · Mathematics 2022-11-03 Matteo Croci , Judit Muñoz-Matute

We propose a time-exact Krylov-subspace-based method for solving linear ODE (ordinary differential equation) systems of the form $y'=-Ay + g(t)$, where $y(t)$ is the unknown function. The method consists of two stages. The first stage is an…

Numerical Analysis · Mathematics 2011-09-26 Mikhail A. Botchev

Polynomial Krylov subspace methods are among the most widely used methods for approximating $f(A)b$, the action of a matrix function on a vector, in particular when $A$ is large and sparse. When $A$ is Hermitian positive definite, the…

Numerical Analysis · Mathematics 2025-03-07 Marcel Schweitzer

In this paper, we investigate the application of exponential integrators to advection-dominated problems. We focus on Krylov subspace and Leja interpolation methods to compute the action of exponential and related matrix functions.…

Numerical Analysis · Mathematics 2025-12-04 Thi Tam Dang , Trung Hau Hoang

An algorithm for constructing a $J$-orthogonal basis of the extended Krylov subspace $\mathcal{K}_{r,s}=\operatorname{range}\{u,Hu, H^2u,$ $ \ldots, $ $H^{2r-1}u, H^{-1}u, H^{-2}u, \ldots, H^{-2s}u\},$ where $H \in \mathbb{R}^{2n \times…

Numerical Analysis · Mathematics 2022-02-28 Peter Benner , Heike Faßbender , Michel-Niklas Senn

Among randomized numerical linear algebra strategies, so-called sketching procedures are emerging as effective reduction means to accelerate the computation of Krylov subspace methods for, e.g., the solution of linear systems, eigenvalue…

Numerical Analysis · Mathematics 2024-08-02 Davide Palitta , Marcel Schweitzer , Valeria Simoncini

The aim of this work is to develop a fast algorithm for approximating the matrix function $f(A)$ of a square matrix $A$ that is symmetric and has hierarchically semiseparable (HSS) structure. Appearing in a wide variety of applications,…

Numerical Analysis · Mathematics 2024-02-28 Angelo A. Casulli , Daniel Kressner , Leonardo Robol

Evaluating the action of a matrix function on a vector, that is $x=f(\mathcal M)v$, is an ubiquitous task in applications. When $\mathcal M$ is large, one usually relies on Krylov projection methods. In this paper, we provide effective…

Numerical Analysis · Mathematics 2020-07-31 Stefano Massei , Leonardo Robol

The paper is concerned with efficient numerical methods for solving a linear system $\phi(A) x= b$, where $\phi(z)$ is a $\phi$-function and $A\in \mathbb R^{N\times N}$. In particular in this work we are interested in the computation of…

Numerical Analysis · Mathematics 2023-02-16 L. Gemignani

We consider generalizations of the Sylvester matrix equation, consisting of the sum of a Sylvester operator and a linear operator $\Pi$ with a particular structure. More precisely, the commutator of the matrix coefficients of the operator…

Numerical Analysis · Mathematics 2019-06-18 Elias Jarlebring , Giampaolo Mele , Davide Palitta , Emil Ringh

Matrix--vector algorithms, particularly Krylov subspace methods, are widely viewed as the most effective algorithms for solving large systems of linear equations. This paper establishes lower bounds on the worst-case number of…

Data Structures and Algorithms · Computer Science 2026-02-19 Michał Dereziński , Ethan N. Epperly , Raphael A. Meyer

This work is on a user-friendly reduced basis method for solving a family of parametric PDEs by preconditioned Krylov subspace methods including the conjugate gradient method, generalized minimum residual method, and bi-conjugate gradient…

Numerical Analysis · Mathematics 2026-02-24 Yuwen Li , Ludmil T. Zikatanov , Cheng Zuo

We consider the problem of approximating the von Neumann entropy of a large, sparse, symmetric positive semidefinite matrix $A$, defined as $\operatorname{tr}(f(A))$ where $f(x)=-x\log x$. After establishing some useful properties of this…

Numerical Analysis · Mathematics 2023-06-23 Michele Benzi , Michele Rinelli , Igor Simunec

In the present work, an attempted was made to develop a numerical algorithm by the use of new orthogonal hybrid functions formed from hybrid of piecewise constant orthogonal sample-and-hold functions and piecewise linear orthogonal…

Numerical Analysis · Mathematics 2018-01-23 Seshu Kumar Damarla , Madhusree Kundu

We present a class of exponential integrators to compute solutions of the stochastic Schr\"odinger equation arising from the modeling of open quantum systems. In order to be able to implement the methods within the same framework as the…

Computational Physics · Physics 2020-02-05 Jingze Li , Xiantao Li

Krylov methods rely on iterated matrix-vector products $A^k u_j$ for an $n\times n$ matrix $A$ and vectors $u_1,\ldots,u_m$. The space spanned by all iterates $A^k u_j$ admits a particular basis -- the \emph{maximal Krylov basis} -- which…

Symbolic Computation · Computer Science 2024-08-21 Vincent Neiger , Clément Pernet , Gilles Villard

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

The purpose of this article is to propose ODE based approaches for the numerical evaluation of matrix functions $f(A)$, a question of major interest in the numerical linear algebra. To this end, we model $f(A)$ as the solution at a finite…

Numerical Analysis · Mathematics 2015-06-01 Jean-Paul Chehab , Madalina Petcu