Rational approximation to the Fermi-Dirac function with applications in density functional theory (Q633157): Difference between revisions

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Latest revision as of 21:56, 19 March 2024

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Rational approximation to the Fermi-Dirac function with applications in density functional theory
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    Rational approximation to the Fermi-Dirac function with applications in density functional theory (English)
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    31 March 2011
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    diagonal of matrix inverse
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    electronic structure calculations
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    density functional theory
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    continued fraction
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    numerical examples
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    Fermi-Dirac matrix function
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    Hamiltonian matrix
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    rational Chebyshev approximation
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    sparse direct methods
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