Cucheb: a GPU implementation of the filtered Lanczos procedure
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Publication:1737460
DOI10.1016/j.cpc.2017.06.016zbMath1411.65005MaRDI QIDQ1737460
Yousef Saad, Vassilis Kalantzis, Jared Lee Aurentz
Publication date: 23 April 2019
Published in: Computer Physics Communications (Search for Journal in Brave)
Full work available at URL: https://doi.org/10.1016/j.cpc.2017.06.016
eigenvalues; eigenvectors; quantum mechanics; density functional theory; electronic structure calculations; GPU
65F15: Numerical computation of eigenvalues and eigenvectors of matrices
65-04: Software, source code, etc. for problems pertaining to numerical analysis
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