Berlin 2012 – scientific programme

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TT: Fachverband Tiefe Temperaturen

TT 45: Correlated Electrons: Poster Session

TT 45.96: Poster

Thursday, March 29, 2012, 15:00–19:00, Poster B

Merging GW and dyanmical mean-field theory — •Ciro Taranto¹, Alessandro Toschi¹, Merzuk Kaltak², Martijn Marsman², Georg Kresse², and Karsten Held¹ — ¹Institute for Solid State Physics, Vienna University of Technology, 1040 Vienna, Austria — ²Computational Materials Physics, University of Vienna, Sensengasse 8/12 A-1090 Vienna, Austria

The combined approach of local density approximation (LDA) and dynamical mean-field theory (DMFT) is the tool of choice for the study of strongly correlated materials. Nevertheless the predictive power of this approach is hampered by two principal difficulties: the extimate of the screened Coulomb interaction and the so called double-counting correction. Both of these problems are rooted in the conceptual difficulty of formulating the DMFT and the LDA in a common (diagrammatic) context. For this reasons we believe that the GW+DMFT [1] approach, which can be formulated also diagramatically [2], can represent a major improvement to the LDA+DMFT one. Specifically we show how one can interface the GW approach with the DMFT in a possibly self-consistent cycle. We also present our preliminary GW+DMFT results on the test-material SrVO₃.
S. Biermann, F. Aryasetiawan and A. Georges, Phys. Rev. Lett. 90 086402 (2003).
K. Held, C. Taranto, G. Rohringer, A. Toschi,in Proceedings of the LDA+DMFT approach to strongly correlated materials school, Jülich, (2011), edited by E. Pavarini, E .Koch, D. Vollhardt and A. Lichtenstein (2011) [arXiv:1109.3972] .