An analysis for the DIIS acceleration method used in quantum chemistry calculations (Q652719): Difference between revisions

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Latest revision as of 17:37, 4 July 2024

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An analysis for the DIIS acceleration method used in quantum chemistry calculations
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    An analysis for the DIIS acceleration method used in quantum chemistry calculations (English)
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    15 December 2011
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    quantum chemistry
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    electronic structure calculation
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    acceleration
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    nonlinear equations
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    Newton's method
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    Broyden's method
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    GMRES
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    SCF algorithms
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    Hartree-Fock
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