Dynamical mean-field theory and its applications to real materials

D. Vollhardt, K. Held, G. Keller, R. Bulla, Th Pruschke, I. A. Nekrasov, V. I. Anisimov

Research output: Contribution to journalArticlepeer-review

18 Citations (Scopus)

Abstract

Dynamical mean-field theory (DMFT) is a non-perturbative technique for the investigation of correlated electron systems. Its combination with the local density approximation (LDA) has recently led to a material-specific computational scheme for the ab initio investigation of correlated electron materials. The set-up of this approach and its application to materials such as (Sr,Ca)VO3, V2O3, and Cerium is discussed. The calculated spectra are compared with the spectroscopically measured electronic excitation spectra. The surprising similarity between the spectra of the single-impurity Anderson model and of correlated bulk materials is also addressed.

Original languageEnglish
Pages (from-to)136-146
Number of pages11
JournalJournal of the Physical Society of Japan
Volume74
Issue number1
DOIs
Publication statusPublished - Jan 2005
Externally publishedYes

Keywords

  • Ab initio computational approaches
  • Dynamical mean-field theory
  • Mott-Hubbard metal-insulator transition
  • Strongly correlated electron systems

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