Density matrices in \(O(N)\) electronic structure calculations: theory and applications (Q1613827): Difference between revisions
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scientific article
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English | Density matrices in \(O(N)\) electronic structure calculations: theory and applications |
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Density matrices in \(O(N)\) electronic structure calculations: theory and applications (English)
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2 September 2002
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electronic ground state
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orthogonal tight-binding theory
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iterative purification strategy
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