Merging first-principles and model approaches: GW+DMFT

Date & Time
23 June 2005 (Thu), 3:00 pm - 4:30 pm
6F seminar room, Sengen site
Dr. Ferdi Aryasetiawan
AIST-RICS (産総研計算科学研究部門)
Merging first-principles and model approaches: GW+DMFT
First-principles calculations reveal a lot more details about the system than model calculations can hope to do. On the other hand, model approaches are theoretically more sophisticated than first-principles approaches. By combining the GW method, which is a successful first-principles method beyond the LDA, and dynamical mean-field theory (DMFT), which is traditionally applied to study strongly correlated systems in the model context, we obtain a first-principles scheme that incorporates the strength of DMFT in treating systems with strong onsite correlations. The new scheme was tested in ferromagnetic nickel with encouraging results.
Dr. Hiori Kino (木野日織)