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arxiv: cond-mat/0408266 · v2 · submitted 2004-08-12 · ❄️ cond-mat.str-el

Dynamical Mean-Field Theory and Its Applications to Real Materials

classification ❄️ cond-mat.str-el
keywords materialscorrelatedspectradynamicalelectroninvestigationmean-fieldtheory
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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)VO_3, V_2O_3, 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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