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ETSF online seminar by Anna Galler: Friday May 2 ... (No replies)

berger
2 years ago
berger 2 years ago
Dear colleagues,
 
The next ETSF seminar will be given by Anna Galler from the Max Planck Institute for the Structure and Dynamics of Matter (Hamburg) on Friday May 20 at 14:00 CEST
The title of the talk is “Tackling nonlocal electronic correlations with the dynamical vertex approximation”. 
Below you will find an abstract of the seminar.
 
All ETSF members will receive an email with a zoom link a couple of days before the seminar.
If you are not an ETSF member and you would like to follow the seminar, please send an email to [email protected].
 
Best wishes,
Arjan Berger
 
 
Abstract:
 
The dynamical mean-field theory (DMFT), in combination with density functional theory (DFT), has been developed into a powerful computational tool for materials with strong electronic correlations. Nevertheless, DMFT is based on the solution of a quantum impurity model and can account only for local electronic correlations. Diagrammatic extensions of DMFT such as the dynamical vertex approximation (DΓA) are attempting to include nonlocal correlations and long-range Coulomb interactions. In this talk, I will present my efforts to extend the DΓA methodology to ab-initio materials calculations (AbinitioDΓA). AbinitioDΓA represents a unifying framework which includes both, GW and DMFT-type of diagrams, but also important nonlocal correlations beyond, e.g. non-local spin fluctuations. I will first introduce the method and then present results for layered transition-metal oxides and the two-band Hubbard model.



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Ab initio (from electronic structure) calculation of complex processes in materials