Iterative diagonalization of symmetric matrices in mixed precision and its application to electronic structure calculations
DOI10.1016/J.CPC.2012.01.002zbMATH Open1264.65056OpenAlexW2066523269MaRDI QIDQ1948839FDOQ1948839
Authors: Eiji Tsuchida, Yoong-Kee Choe 
Publication date: 25 April 2013
Published in: Computer Physics Communications (Search for Journal in Brave)
Full work available at URL: https://doi.org/10.1016/j.cpc.2012.01.002
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eigenvaluesnumerical examplesconjugate gradient methoddiagonalizationsymmetric matriceselectronic structure calculationsmixed precision
Cites Work
- Templates for the Solution of Algebraic Eigenvalue Problems
- Accelerating scientific computations with mixed precision algorithms
- Title not available (Why is that?)
- On the limited memory BFGS method for large scale optimization
- A Trace Minimization Algorithm for the Generalized Eigenvalue Problem
- A Jacobi--Davidson Iteration Method for Linear Eigenvalue Problems
- Electronic Structure
- The iterative calculation of a few of the lowest eigenvalues and corresponding eigenvectors of large real-symmetric matrices
- Numerical methods for electronic structure calculations of materials
- The trace minimization method for the symmetric generalized eigenvalue problem
- Limited-Memory Reduced-Hessian Methods for Large-Scale Unconstrained Optimization
- Improving the Accuracy of Computed Eigenvalues and Eigenvectors
- On conjugate gradient-like methods for eigen-like problems
- Accuracy and effectiveness of preconditioned conjugate gradient algorithms for large and ill-conditioned problems
- Exploiting Mixed Precision for Computing Eigenvalues of Symmetric Matrices and Singular Values
Cited In (8)
- Iterative diagonalization in augmented plane wave based methods in electronic structure calculations
- Mixed precision algorithms in numerical linear algebra
- DFT-FE - a massively parallel adaptive finite-element code for large-scale density functional theory calculations
- A Fast Iterative Algorithm for Near-Diagonal Eigenvalue Problems
- Exploiting Mixed Precision for Computing Eigenvalues of Symmetric Matrices and Singular Values
- Hybrid preconditioning for iterative diagonalization of ill-conditioned generalized eigenvalue problems in electronic structure calculations
- Fast algorithm for extracting the diagonal of the inverse matrix with application to the electronic structure analysis of metallic systems
- Fast Diagonalization of Large and Dense Complex Symmetric Matrices, with Applications to Quantum Reaction Dynamics
Uses Software
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