Large-Scale Normal Coordinate Analysis for Molecular Structures (Q2780540)

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Large-Scale Normal Coordinate Analysis for Molecular Structures
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    Large-Scale Normal Coordinate Analysis for Molecular Structures (English)
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    15 April 2002
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    normal coordinate analysis
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    eigenvalue computation
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    preconditioner
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    truncated RQ-iteration
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    Jacobi-Davidson method
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    vibrational analysis
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    large-scale molecular systems
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    algorithms
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    convergence
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    numerical examples
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