Dresden 2014 – scientific programme
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TT: Fachverband Tiefe Temperaturen
TT 84: Correlated Electrons: (General) Theory
TT 84.6: Talk
Thursday, April 3, 2014, 10:45–11:00, HSZ 304
Efficient real frequency solver for dynamical mean field theory — •Yi Lu1,2 and Maurits W. Haverkort1,2 — 1Max Planck Institute for Solid State Research, Stuttgart — 2Max Planck Institute for Chemical Physics of Solids, Dresden
We present an efficient exact diagonalization (ED) based real frequency solver for the general Anderson impurity problem and dynamical mean field theory (DMFT). It alleviates the exponential increasing Hilbert space encountered by conventional ED algorithms as a function of the number of bath sites. A specific bath geometry is realized upon which basis set optimization can be applied. The restricted Hilbert space allows calculations including a few hundred bath sites at moderate cost, which solve for spectral functions with energy resolution better than 1/O(102) of the bandwidth. Good agreement with other methods including numerical renormalization group and continuous-time quantum Monte Carlo is obtained for model systems over a wide parameter space, with comparable or better accuracy at much lower computation cost. Dynamical quantities can be easily obtained on the real axis. We show several examples of DMFT calculations on transition metal oxides, including nickelates and related heterostructures.