Electronic structure calculation by first principles for strongly correlated electron systems

Masatoshi Imada, Takashi Miyake

研究成果: Review article査読

89 被引用数 (Scopus)

抄録

Recent trends of ab initio studies and progress in methodologies for electronic structure calculations of strongly correlated electron systems are discussed. The interest for developing efficient methods is motivated by recent discoveries and characterizations of strongly correlated electron materials and by requirements for understanding mechanisms of intriguing phenomena beyond a single-particle picture. A three-stage scheme is developed as renormalized multi-scale solvers (RMS) utilizing the hierarchical electronic structure in the energy space. It provides us with an ab initio downfolding of the global band structure into low-energy effective models followed by low-energy solvers for the models. The RMS method is illustrated with examples of several materials. In particular, we overview cases such as dynamics of semiconductors, transition metals and their compounds including iron-based superconductors and perovskite oxides, and organic conductors of κ-ET type.

本文言語English
論文番号112001
ジャーナルjournal of the physical society of japan
79
11
DOI
出版ステータスPublished - 2010 11
外部発表はい

ASJC Scopus subject areas

  • 物理学および天文学(全般)

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