Journal
JOURNAL OF THE PHYSICAL SOCIETY OF JAPAN
Volume 74, Issue 1, Pages 136-146Publisher
PHYSICAL SOC JAPAN
DOI: 10.1143/JPSJ.74.136
Keywords
strongly correlated electron systems; Mott-Hubbard metal-insulator transition; dynamical mean-field theory; ab initio computational approaches
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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.
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