A spectral scheme for Kohn-Sham density functional theory of clusters (Q729158)
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scientific article; zbMATH DE number 6666657
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| English | A spectral scheme for Kohn-Sham density functional theory of clusters |
scientific article; zbMATH DE number 6666657 |
Statements
A spectral scheme for Kohn-Sham density functional theory of clusters (English)
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20 December 2016
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spectral scheme
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Kohn-Sham density functional theory
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spherical harmonics
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spherical Bessel functions
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computational efficiency
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spectral convergence
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parallel scaling performance
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eigenvalue problem
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lobpcg
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Chebyshev filtering
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nano clusters
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super atoms
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0.7580468058586121
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0.7438068389892578
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0.7350156307220459
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