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A FEAST Algorithm for the Linear Response Eigenvalue Problem

1
College of Computer and Information Science, Fujian Agriculture and Forestry University, Fuzhou 350002, China
2
School of Mathematical Sciences, Guizhou Normal University, Guiyang 550001, China
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Author to whom correspondence should be addressed.
Algorithms 2019, 12(9), 181; https://doi.org/10.3390/a12090181
Received: 22 July 2019 / Revised: 25 August 2019 / Accepted: 27 August 2019 / Published: 29 August 2019
In the linear response eigenvalue problem arising from quantum chemistry and physics, one needs to compute several positive eigenvalues together with the corresponding eigenvectors. For such a task, in this paper, we present a FEAST algorithm based on complex contour integration for the linear response eigenvalue problem. By simply dividing the spectrum into a collection of disjoint regions, the algorithm is able to parallelize the process of solving the linear response eigenvalue problem. The associated convergence results are established to reveal the accuracy of the approximated eigenspace. Numerical examples are presented to demonstrate the effectiveness of our proposed algorithm. View Full-Text
Keywords: linear response eigenvalue problem; FEAST; contour integration; convergence analysis linear response eigenvalue problem; FEAST; contour integration; convergence analysis
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Teng, Z.; Lu, L. A FEAST Algorithm for the Linear Response Eigenvalue Problem. Algorithms 2019, 12, 181.

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