Veranstaltungsdetails

8.2.2011, 17:00
Jungiusstr. 11, Hörsaal AP

SFB 668 - Kolloquium

Brigitte Surer (ETH Zürich):

Continuous time Quantum Monte Carlo methods for multi-orbital impurity models

Continuous time Quantum Monte Carlo algorithms allow to study multi-orbital models with the full four-index Coulomb interaction matrix and therefore provide a powerful tool to take spin-exchange and pair-hopping terms in multi-orbital impurity and multi-band Hubbard models into account. With the recently developed Krylov implementation of the hybridization expansion impurity solver the feasibility to simulate multi-orbital problems without elimination of high-energy states has been improved. In combination with density functional theory and dynamical mean field theory the methods opens a way to investigate transition metal and actinide compounds from first principles.