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arXiv 0704.3486hep-lat
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计算非厄米矩阵符号函数的迭代方法及其在非零化学势下重叠Dirac算子中的应用

An iterative method to compute the sign function of a non-Hermitian matrix and its application to the overlap Dirac operator at nonzero chemical potential

J. Bloch, A. Frommer, B. Lang, T. Wettig

摘要:

格点量子色动力学中的重叠狄拉克算符需要计算矩阵的符号函数。虽然这个矩阵通常是厄米的,但在夸克化学势的存在下,它变成了非厄米的。我们展示了如何行动的一个非厄米矩阵的符号函数的任意向量可以有效地计算大型格的迭代方法。基于Arnoldi算法的Krylov子空间近似描述了一个通用的矩阵函数的评估。当矩阵的特征值接近于函数的不连续性时,该方法的效率被破坏。这是治愈的Krylov子空间,我们提出了两种不同的紧缩计划,增加了少量的关键特征向量。随后修改Arnoldi方法,然后应用到符号函数,它具有沿虚轴的不连续性。数值结果清楚地表明了改进的方法的效率。当同一矩阵的符号函数的作用必须在不同向量上计算多次时,我们的修改特别有效,例如,如果重叠狄拉克算子是使用迭代方法反演。

英文摘要:

The overlap Dirac operator in lattice QCD requires the computation of the sign function of a matrix. While this matrix is usually Hermitian, it becomes non-Hermitian in the presence of a quark chemical potential. We show how the action of the sign function of a non-Hermitian matrix on an arbitrary vector can be computed efficiently on large lattices by an iterative method. A Krylov subspace approximation based on the Arnoldi algorithm is described for the evaluation of a generic matrix function. The efficiency of the method is spoiled when the matrix has eigenvalues close to a function discontinuity. This is cured by adding a small number of critical eigenvectors to the Krylov subspace, for which we propose two different deflation schemes. The ensuing modified Arnoldi method is then applied to the sign function, which has a discontinuity along the imaginary axis. The numerical results clearly show the improved efficiency of the method. Our modification is particularly effective when the action of the sign function of the same matrix has to be computed many times on different vectors, e.g., if the overlap Dirac operator is inverted using an iterative method.

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