Thick-restart Lanczos method for electronic structure calculations
DOI10.1006/JCPH.1999.6306zbMATH Open0963.82048OpenAlexW2044378346MaRDI QIDQ1819081FDOQ1819081
Horst Simon, Kesheng Wu, A. Canning, Lin-Wang Wang
Publication date: 5 July 2001
Published in: Journal of Computational Physics (Search for Journal in Brave)
Full work available at URL: https://digital.library.unt.edu/ark:/67531/metadc709430/
eigenvalue problemselectronic structure calculationrestarted Lanczos methodempirical pseudopotential methoddynamic restarting schemessemiconductor nanosystemsthick-restart techniqueSchrödinger equation
Numerical computation of eigenvalues and eigenvectors of matrices (65F15) Statistical mechanics of semiconductors (82D37)
Cites Work
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- Implicit Application of Polynomial Filters in a k-Step Arnoldi Method
- ARPACK Users' Guide
- On restarting the Arnoldi method for large nonsymmetric eigenvalue problems
- The iterative calculation of a few of the lowest eigenvalues and corresponding eigenvectors of large real-symmetric matrices
- An implicit restarted Lanczos method for large symmetric eigenvalue problems
- Super-matrix methods
- Analysis of the symmetric Lanczos algorithm with reorthogonalization methods
- Dynamic Thick Restarting of the Davidson, and the Implicitly Restarted Arnoldi Methods
- The Lanczos Algorithm with Selective Orthogonalization
Cited In (12)
- Algorithms for the evolution of electronic properties in nanocrystals
- A thick-restart Lanczos type method for Hermitian \(J\)-symmetric eigenvalue problems
- Computing extremal eigenvalues for three-dimensional photonic crystals with wave vectors near the Brillouin zone center
- Parallel empirical pseudopotential electronic structure calculations for million atom systems
- The Eigenvalues Slicing Library (EVSL): Algorithms, Implementation, and Software
- Efficient iterative method for solving the Dirac-Kohn-Sham density functional theory
- A block Chebyshev-Davidson method with inner-outer restart for large eigenvalue problems
- Chebyshev-filtered subspace iteration method free of sparse diagonalization for solving the Kohn-Sham equation
- RESCU: a real space electronic structure method
- A dynamic thick restarted semi-refined ABLE algorithm for computing a few selected eigentriplets of large nonsymmetric matrices
- Thick-restart Lanczos method for large symmetric eigenvalue problems
- Quantum spin solver near saturation: \(\mathrm{QS}^3\)
Uses Software
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