An interior eigenvalue problem from electronic structure calculations

DOI10.1007/S13160-013-0118-0MaRDI QIDQ2452279zbMATH OpenOpenAlexFDO

Authors Dong Jin Lee, Takafumi Miyata, Tomohiro Sogabe, Takeo Hoshi, Shao-Liang Zhang

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

numerical examplesalgorithmgeneralized eigenvalue problemlinear matrix pencilnanomaterialselectronic structure calculationsmatrix inertia

Mathematics Subject Classification ID

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

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Cites work

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

Cited in

(1)

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

Describes a project that uses

Uses Software

• LAPACK

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