Direct minimization for calculating invariant subspaces in density functional computations of the electronic structure (Q3572305)
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scientific article; zbMATH DE number 5732335
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| English | Direct minimization for calculating invariant subspaces in density functional computations of the electronic structure |
scientific article; zbMATH DE number 5732335 |
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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0.89819914
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0.86425745
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0.8563012
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0.8405487
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0.83610094
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0.8358495
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0.8337579
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0.8331812
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