Merging first-principles and model approaches: GW+DMFT

Date & Time
23 June 2005 (Thu), 3:00 pm - 4:30 pm
Place
6F seminar room, Sengen site
Speaker
Dr. Ferdi Aryasetiawan
Affiliation
AIST-RICS (産総研計算科学研究部門)
Title
Merging first-principles and model approaches: GW+DMFT
Abstract
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.
Contact
Dr. Hiori Kino (木野日織)