Fast iterative interior eigensolver for millions of atoms

DOI10.1016/j.jcp.2012.04.010zbMath1251.82061DBLPjournals/jcphy/JordanMKK12OpenAlexW2132817007WikidataQ60661115 ScholiaQ60661115MaRDI QIDQ440633

Gerald Jordan, Georg Kresse, Martijn Marsman, Yoon-Suk Kim

Publication date: 19 August 2012

Published in: Journal of Computational Physics (Search for Journal in Brave)

Full work available at URL: https://doi.org/10.1016/j.jcp.2012.04.010

zbMATH Keywords

Davidson methodelectronic structure calculationsharmonic Ritz valuesinterior eigenvalue problem

Mathematics Subject Classification ID

Related Items (2)

Preconditioned Locally Harmonic Residual Method for Computing Interior Eigenpairs of Certain Classes of Hermitian Matrices ⋮ Fast solution of Schrödinger's equation using linear combinations of plane waves

Uses Software

• ONETEP
• JDQR
• BLOPEX
• SIESTA
• JDQZ

Cites Work

• Computing interior eigenvalues of large matrices
• Improved algorithms for the lowest few eigenvalues and associated eigenvectors of large matrices
• Restarting techniques for the (Jacobi-)Davidson symmetric eigenvalue method
• Block Locally Optimal Preconditioned Eigenvalue Xolvers (BLOPEX) in Hypre and PETSc
• Jacobi--Davidson Style QR and QZ Algorithms for the Reduction of Matrix Pencils
• Dynamic Thick Restarting of the Davidson, and the Implicitly Restarted Arnoldi Methods
• Templates for the Solution of Algebraic Eigenvalue Problems
• A new method for diagonalising large matrices
• Approximate solutions and eigenvalue bounds from Krylov subspaces
• A Jacobi–Davidson Iteration Method for Linear Eigenvalue Problems
• Harmonic projection methods for large non-symmetric eigenvalue problems

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