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IV) Materials calculations with dynamical mean field theory (DMFT)

IV) Materials calculations with dynamical mean field theory (DMFT)

IV) Materials calculations with dynamical mean field theory (DMFT)

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LDA+<strong>DMFT</strong> — overviewMetzner, Vollhardt PRL’89 — simplifications in d = ∞Georges, Kotliar PRB’89 — <strong>DMFT</strong>Anisimov et al. EPJ’97 — first LDA+<strong>DMFT</strong> calculation, LaTiO 3simplified <strong>DMFT</strong> solverKH, Keller, Eyert, Vollhardt, Anisimov PRL’01 — Mott-Hubbard transition in V2O 3KH, McMahan, Scalettar PRL’01 — Volume collapse in CeLichtenstein, Katsnelson PRL’01 — Ferromagnetism in Fe and NiSavrasov, Kotliar, Abrahams Nature’01 — δ-Pu... ∼ 300 publications by now ...P. W. Anderson, The future lies ahead in “Recent progress in many-body theories” (WorldScientific, 2006):In <strong>theory</strong>, the big news is the <strong>DMFT</strong> which gives us a systematic way todeal <strong>with</strong> the major effects of strong correlations. After nearly 50 years,we are finally able to understand the Mott transition, for instance, at leastin three dimensions, and to model the Kondo volume collapse in cerium.

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