Pole Expansion for Solving a Type of Parametrized Linear Systems in Electronic Structure Calculations

DOI10.1137/130944825zbMath1310.65047arXiv1311.2129OpenAlexW2031366480MaRDI QIDQ5176057

Lin Lin, Anil Damle, Lexing Ying

Publication date: 2 March 2015

Published in: SIAM Journal on Scientific Computing (Search for Journal in Brave)

Full work available at URL: https://arxiv.org/abs/1311.2129

zbMATH Keywords

numerical examplesparallel computationdirect solveriterative solverelectronic structure calculationbenzene moleculeDNA moleculepole expansionparametrized linear systems

Mathematics Subject Classification ID

Iterative numerical methods for linear systems (65F10) Parallel numerical computation (65Y05) Technical applications of optics and electromagnetic theory (78A55) Molecular structure (graph-theoretic methods, methods of differential topology, etc.) (92E10) Direct numerical methods for linear systems and matrix inversion (65F05)

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