A numerical method for calculating the Green's function arising from electronic structure theory

DOI10.1007/978-3-540-46375-7_24zbMATH Open1344.78022arXivmath/0602652OpenAlexW1677912652MaRDI QIDQ2820564FDOQ2820564

Authors: Tomohiro Sogabe, Takeo Hoshi, Shao-Liang Zhang, Takeo Fujiwara 

Publication date: 9 September 2016

Published in: Frontiers of Computational Science (Search for Journal in Brave)

Abstract: We developed a fast numerical methodfor complex symmetric shifted linear systems, which is motivated by the quantum-mechanical (electronic-structure) theory in nanoscale materials. The method is named shifted Conjugate Orthogonal Conjugate Gradient (shifted COCG) method. The formulation is given and several numerical aspects are discussed.

Full work available at URL: https://arxiv.org/abs/math/0602652

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Mathematics Subject Classification ID

Iterative numerical methods for linear systems (65F10)

Cites Work

• BiCGStab(\(\ell\)) for families of shifted linear systems
• Arnoldi methods for large Sylvester-like observer matrix equations, and an associated algorithm for partial spectrum assignment

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