论文信息 - Ultra-large-scale electronic structure theory and numerical algorithm (High Performance Algorithms for Computational Science and Their Applications)

Ultra-large-scale electronic structure theory and numerical algorithm (High Performance Algorithms for Computational Science and Their Applications)

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.

Takeo Hoshi

[1] Hiroshi Kawamura,et al. Frontiers of Computational Science: Proceedings of the International Symposium on Frontiers of Computational Science 2005 , 2007 .