Direct minimization for calculating invariant subspaces in density functional computations of the electronic structure (Q3572305): Difference between revisions
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Revision as of 09:55, 19 April 2024
scientific article
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| English | Direct minimization for calculating invariant subspaces in density functional computations of the electronic structure |
scientific article |
Statements
8 July 2010
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eigenvalue computation
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Grassmann manifolds
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optimization
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orthogonality constraints
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Hartree-Fock theory
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density functional theory
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electronic structure
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math.NA
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