Ultra-large-scale electronic structure theory and numerical algorithm

Details Ultra-large-scale electronic structure theory and numerical algorithm Ultra-large-scale electronic structure theory and numerical algorithm

2008-08-25

arxiv.org/abs/0808.3287v1

Physics

Computational Physics

13 page, 1 figure. A PDF file in better graphics is available at http://fujimac.t.u-tokyo.ac.jp/lses/index_e.html

Scientific paper

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.

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