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arXiv 1602.02306math.NAcs.NA
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预条件迭代方法用于特征值计数

Preconditioned iterative methods for eigenvalue counts

Lawrence Berkeley National Laboratory(劳伦斯伯克利国家实验室)

Eugene Vecharynski, Chao Yang

AI总结:

本文提出基于Lanczos和Arnoldi迭代的预条件迭代方法,用于估计Hermitian矩阵区间内特征值数量,方法高效且不依赖矩阵规模和条件数。

摘要:

我们描述了用于估计Hermitian矩阵给定区间内特征值数量的预条件迭代方法。此类估计在许多应用中都很有用,特别是可以用于开发高效的谱切分策略以计算许多Hermitian矩阵的特征对。我们的方法基于Lanczos和Arnoldi类型的迭代。我们证明,通过适当定义的预条件器,仅需少量迭代即可获得区间内特征值数量的良好估计。我们还展示了所提出预条件方案所需的迭代次数与矩阵的大小和条件数无关。方法的效率在密度泛函理论基于的电子结构计算问题上得到了验证。

英文摘要:

We describe preconditioned iterative methods for estimating the number of eigenvalues of a Hermitian matrix within a given interval. Such estimation is useful in a number of applications.In particular, it can be used to develop an efficient spectrum-slicing strategy to compute many eigenpairs of a Hermitian matrix. Our method is based on the Lanczos- and Arnoldi-type of iterations. We show that with a properly defined preconditioner, only a few iterations may be needed to obtain a good estimate of the number of eigenvalues within a prescribed interval. We also demonstrate that the number of iterations required by the proposed preconditioned schemes is independent of the size and condition number of the matrix. The efficiency of the methods is illustrated on several problems arising from density functional theory based electronic structure calculations.

机构、总结、中文摘要均由AI分析而来,可能存在错误,请以论文正文为准。

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