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Ultra-large-scale electronic structure theory and numerical algorithm (High Performance Algorithms for Computational Science and Their Applications)
1 Citations•2008•
T. Hoshi
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This article is composed of two parts; the ultra-large-scale electronic structure theory is reviewed for its fundamental numerical algorithm and its role in nano-material science.
Abstract
This article is composed of two parts; In the first part (Sec. 1), the ultra-large-scale electronic structure theory is reviewed for (i) its fundamental numerical algorithm and (ii) its role in nano-material science. The second part (Sec. 2) is devoted to the mathematical foundation of the large-scale electronic structure theory and their numerical aspects.