Wavelets for density matrix computation in electronic structure calculation (Q2507730)

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Wavelets for density matrix computation in electronic structure calculation
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    Wavelets for density matrix computation in electronic structure calculation (English)
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    5 October 2006
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    This paper is concerned with demanding calculations of electronic structures. The aim of this paper is to give a brief introduction into electronic structure calculations and linear scaling methods. In particular, the authors address the linear scaling wavelet methods and summarize the recent approximation results obtained by the first author and his collaborators.
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    electronic Schrödinger equation
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    Hartree-Fock
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    density function theory
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    density matrices
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    linear scaling
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    wavelets
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    sparse grid approximation
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    N-term approximation
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