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TT: Fachverband Tiefe Temperaturen

TT 40: Poster Session Correlated Electrons

TT 40.80: Poster

Mittwoch, 13. März 2013, 15:00–19:00, Poster D

Reduced Density Matrix Functional Theory- A suitable vehicle to import explicit correlations — •Ebad Kamil¹, Thomas Pruschke¹, and Peter E. Bloechl² — ¹Institute for Theoretical Physics, University of Goettingen, Goettingen, Germany — ²Institute for Theoretical Physics, Clausthal University of Technology, Clausthal, Germany

A variational formulation for the calculation of interacting fermions system based on density matrix functional theory is presented. This formulation allows importing explicit many particle effects into standard density functional theory based calculations and also avoids ambiguities of double counting terms inherent to other approaches. Local approximation for explicit correlations is introduced and the resulting local density matrix functional is calculated using resolvent expansion/Quantum Master equation technique developed in the field of Open quantum system.