Computation of Large Invariant Subspaces Using Polynomial Filtered Lanczos Iterations with Applications in Density Functional Theory
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Publication:3609033
DOI10.1137/060675435zbMATH Open1159.65319OpenAlexW2024735648MaRDI QIDQ3609033FDOQ3609033
Authors:
Publication date: 6 March 2009
Published in: SIAM Journal on Matrix Analysis and Applications (Search for Journal in Brave)
Full work available at URL: http://infoscience.epfl.ch/record/87298
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Cited In (15)
- A spectrum slicing method for the Kohn-Sham problem
- Solving large-scale interior eigenvalue problems to investigate the vibrational properties of the boson peak regime in amorphous materials
- More robust Chebyshev filtering for SCF iteration, with applications in real-space DFT
- On Chebyshev-Davidson method for symmetric generalized eigenvalue problems
- Computing partial spectra with least-squares rational filters
- On flexible block Chebyshev-Davidson method for solving symmetric generalized eigenvalue problems
- Limited‐memory polynomial methods for large‐scale matrix functions
- Direct minimization for calculating invariant subspaces in density functional computations of the electronic structure
- Accelerating data uncertainty quantification by solving linear systems with multiple right-hand sides
- On relaxed filtered Krylov subspace method for non-symmetric eigenvalue problems
- Rational approximation to the Fermi-Dirac function with applications in density functional theory
- Chebyshev-filtered subspace iteration method free of sparse diagonalization for solving the Kohn-Sham equation
- Direct minimization for ensemble electronic structure calculations
- Self-consistent-field calculations using Chebyshev-filtered subspace iteration
- Cucheb: a GPU implementation of the filtered Lanczos procedure
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