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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
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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)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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D. Vollhardt, K. Held, G. Keller, R. Bulla, Th. Pruschke, I. A. Nekrasov, V. I. Anisimov. 2004-09-23. Dynamical Mean-Field Theory and Its Applications to Real Materials. https://doi.org/10.1143/jpsj.74.136

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