Preconditioning Orbital Minimization Method for Planewave Discretization (Q5737751)

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

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    Preconditioning Orbital Minimization Method for Planewave Discretization (English)
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    30 May 2017
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    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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