A structure preserving Lanczos algorithm for computing the optical absorption spectrum
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Abstract: We present a new structure preserving Lanczos algorithm for approximating the optical absorption spectrum in the context of solving full Bethe--Salpeter equation without Tamm--Dancoff approximation. The new algorithm is based on a structure preserving Lanczos procedure, which exploits the special block structure of Bethe--Salpeter Hamiltonian matrices. A recently developed technique of generalized averaged Gauss quadrature is incorporated to accelerate the convergence. We also establish the connection between our structure preserving Lanczos procedure with several existing Lanczos procedures developed in different contexts. Numerical examples are presented to demonstrate the effectiveness of our Lanczos algorithm.
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Cites work
- \texttt{turboTDDFT} -- a code for the simulation of molecular spectra using the Liouville-Lanczos approach to time-dependent density-functional perturbation theory
- A Relativistic Equation for Bound-State Problems
- An implicitly restarted symplectic Lanczos method for the Hamiltonian eigenvalue problem
- Convergence analysis of Lanczos-type methods for the linear response eigenvalue problem
- Efficient block preconditioned eigensolvers for linear response time-dependent density functional theory
- Fast iterative solution of the Bethe-Salpeter eigenvalue problem using low-rank and QTT tensor approximation
- Generalized averaged Gauss quadrature rules for the approximation of matrix functionals
- scientific article; zbMATH DE number 554737 (Why is no real title available?)
- Matrices, moments and quadrature with applications
- Minimization principles for the linear response eigenvalue problem. II: Computation
- Non-Adiabatic Meson Theory of Nuclear Forces
- On generalized averaged Gaussian formulas
- On Hamiltonian and symplectic Lanczos processes
- Some remarks on the complex \(J\)-symmetric eigenproblem
- Structure preserving parallel algorithms for solving the Bethe-Salpeter eigenvalue problem
- TurboEELS -- a code for the simulation of the electron energy loss and inelastic X-ray scattering spectra using the Liouville-Lanczos approach to time-dependent density-functional perturbation theory
Cited in
(10)- Computing the density of states for optical spectra of molecules by low-rank and QTT tensor approximation
- Efficient and accurate algorithms for solving the Bethe-Salpeter eigenvalue problem for crystalline systems
- Rayleigh-Ritz majorization error bounds for the linear response eigenvalue problem
- The Lanczos Algorithm Under Few Iterations: Concentration and Location of the Output
- A note on ``Perturbation bounds for Williamson's symplectic normal form
- A new algorithm for fast simulation of optical spectra generated in a nonlinear media
- Computing the Bogoliubov-de Gennes excitations of two-component Bose-Einstein condensates
- A structure-preserving Chebyshev-filtered subspace iteration for the Bethe-Salpeter eigenvalue problem
- An efficient Fourier spectral eigensolver for computing the Bogoliubov-de Gennes excitations of spin-1 Bose-Einstein condensates
- Fast optical absorption spectra calculations for periodic solid state systems
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