Authors: D. Vollhardt, G. Keller, K. Held,
Th. Pruschke, R. Bulla, I.A. Nekrasov, and
V.I. Anisimov
Journal:
J. Phys. Soc. Jpn. 74, 136 (2005)
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.