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Preconditioning Orbital Minimization Method for Planewave Discretization - MaRDI portal

Preconditioning Orbital Minimization Method for Planewave Discretization (Q5737751)

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scientific article; zbMATH DE number 6724167
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English
Preconditioning Orbital Minimization Method for Planewave Discretization
scientific article; zbMATH DE number 6724167

    Statements

    title
    Preconditioning Orbital Minimization Method for Planewave Discretization (English)
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    author
    Haizhao Yang
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    Jian-feng Lu
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    publication date
    30 May 2017
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    zbMATH Keywords
    Kohn-Sham density functional theory
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    orbital minimization method
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    preconditioning
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    Fermi operator projection
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    pole expansion
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    sparsifying preconditioner
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    pseudospectral method
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    Hamiltonian operators
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    numerical results
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    describes a project that uses
    lobpcg.m
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    PFFT
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    FEAST
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    Elemental
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    cites work
    Elemental
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    Identifiers

    DOI
    10.1137/16M1068670
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    Mathematics Subject Classification ID
    65P10
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    37M15
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    65F08
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    65M70
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    zbMATH DE Number
    6724167
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    arXiv ID
    1603.09724
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