Structure preserving parallel algorithms for solving the Bethe-Salpeter eigenvalue problem
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Publication:896844
DOI10.1016/J.LAA.2015.09.036zbMATH Open1330.65059arXiv1501.03830OpenAlexW1857725693MaRDI QIDQ896844FDOQ896844
Steven G. Louie, Felipe H. Da Jornada, Chao Yang, Meiyue Shao, Jack Deslippe
Publication date: 14 December 2015
Published in: Linear Algebra and its Applications (Search for Journal in Brave)
Abstract: The Bethe-Salpeter eigenvalue problem is a dense structured eigenvalue problem arising from discretized Bethe-Salpeter equation in the context of computing exciton energies and states. A computational challenge is that at least half of the eigenvalues and the associated eigenvectors are desired in practice. We establish the equivalence between Bethe-Salpeter eigenvalue problems and real Hamiltonian eigenvalue problems. Based on theoretical analysis, structure preserving algorithms for a class of Bethe-Salpeter eigenvalue problems are proposed. We also show that for this class of problems all eigenvalues obtained from the Tamm-Dancoff approximation are overestimated. In order to solve large scale problems of practical interest, we discuss parallel implementations of our algorithms targeting distributed memory systems. Several numerical examples are presented to demonstrate the efficiency and accuracy of our algorithms.
Full work available at URL: https://arxiv.org/abs/1501.03830
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Cited In (15)
- Doubling algorithm for the discretized Bethe-Salpeter eigenvalue problem
- Computing the density of states for optical spectra of molecules by low-rank and QTT tensor approximation
- ELSI -- an open infrastructure for electronic structure solvers
- A note on ``Perturbation bounds for Williamson's symplectic normal form
- Some remarks on the complex \(J\)-symmetric eigenproblem
- Study of time evolution for approximation of two-body spinless Salpeter equation in presence of time-dependent interaction
- Stable and Efficient Computation of Generalized Polar Decompositions
- A Structure Preserving Lanczos Algorithm for Computing the Optical Absorption Spectrum
- Rayleigh-Ritz majorization error bounds for the linear response eigenvalue problem
- Structure-preserving \(\Gamma\) QR and \(\Gamma\)-Lanczos algorithms for Bethe-Salpeter eigenvalue problems
- A Structure-Preserving Divide-and-Conquer Method for Pseudosymmetric Matrices
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- Thick restarting the weighted harmonic Golub-Kahan-Lanczos algorithm for the linear response eigenvalue problem
- Fast iterative solution of the Bethe-Salpeter eigenvalue problem using low-rank and QTT tensor approximation
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