特征值问题并行轨道更新方法的数值分析

IF 2.9 2区数学 Q1 MATHEMATICS, APPLIED

SIAM Journal on Numerical Analysis Pub Date : 2025-08-22 DOI:10.1137/24m1690084

Xiaoying Dai, Yan Li, Bin Yang, Aihui Zhou

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引用次数: 0

摘要

SIAM数值分析杂志，第63卷，第4期，1886-1908页，2025年8月。摘要。并行轨道更新方法是一种基于轨道/特征函数迭代的方法，用于求解需要多个特征对的特征值问题。它已被证明是有效的，例如，在电子结构计算中。本文在研究拟正交性的基础上，给出了线性特征值问题的平行轨道更新方法的数值分析，包括数值逼近的收敛性和误差估计。

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Numerical Analysis of the Parallel Orbital-Updating Approach for Eigenvalue Problems

SIAM Journal on Numerical Analysis, Volume 63, Issue 4, Page 1886-1908, August 2025.
Abstract. The parallel orbital-updating approach is an orbital/eigenfunction iteration based approach for solving eigenvalue problems when many eigenpairs are required. It has been proven to be efficient, for instance, in electronic structure calculations. In this paper, based on the investigation of a quasi-orthogonality, we present the numerical analysis of the parallel orbital-updating approach for linear eigenvalue problems, including convergence and error estimates of the numerical approximations.

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来源期刊

SIAM Journal on Numerical Analysis 数学-应用数学

CiteScore

4.80

自引率

6.90%

发文量

110

审稿时长

4-8 weeks

期刊介绍： SIAM Journal on Numerical Analysis (SINUM) contains research articles on the development and analysis of numerical methods. Topics include the rigorous study of convergence of algorithms, their accuracy, their stability, and their computational complexity. Also included are results in mathematical analysis that contribute to algorithm analysis, and computational results that demonstrate algorithm behavior and applicability.