Structure preserving parallel algorithms for solving the Bethe-Salpeter eigenvalue problem
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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.
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Cited in
(15)- A structure preserving Lanczos algorithm for computing the optical absorption spectrum
- 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
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- Structure-preserving \(\Gamma\) QR and \(\Gamma\)-Lanczos algorithms for Bethe-Salpeter eigenvalue problems
- A Structure-Preserving Divide-and-Conquer Method for Pseudosymmetric Matrices
- Efficient and accurate algorithms for solving the Bethe-Salpeter eigenvalue problem for crystalline systems
- A Chebyshev locally optimal block preconditioned conjugate gradient method for product and standard symmetric eigenvalue problems
- Stable and efficient computation of generalized polar decompositions
- Fast iterative solution of the Bethe-Salpeter eigenvalue problem using low-rank and QTT tensor approximation
- Thick restarting the weighted harmonic Golub-Kahan-Lanczos algorithm for the linear response eigenvalue problem
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