An interior eigenvalue problem from electronic structure calculations

DOI10.1007/s13160-013-0118-0zbMath1291.65126OpenAlexW2080769647MaRDI QIDQ2452279

Takafumi Miyata, Shao-Liang Zhang, Takeo Hoshi, Tomohiro Sogabe, Dongjin Lee

Publication date: 2 June 2014

Published in: Japan Journal of Industrial and Applied Mathematics (Search for Journal in Brave)

Full work available at URL: https://doi.org/10.1007/s13160-013-0118-0

zbMATH Keywords

algorithmnumerical examplesgeneralized eigenvalue problemelectronic structure calculationsmatrix inertialinear matrix pencilnanomaterials

Mathematics Subject Classification ID

Numerical computation of eigenvalues and eigenvectors of matrices (65F15) Applications to the sciences (65Z05)

Related Items (1)

Solution of the \(k\)-th eigenvalue problem in large-scale electronic structure calculations

Uses Software

• LAPACK

Cites Work

• A projection method for generalized eigenvalue problems using numerical integration.
• LAPACK Users' Guide
• The Spectral Transformation Lanczos Method for the Numerical Solution of Large Sparse Generalized Symmetric Eigenvalue Problems
• Some Stable Methods for Calculating Inertia and Solving Symmetric Linear Systems
• A modified regula falsi method for computing the root of an equation

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