Speaker
Mr
Jaksa Vucicevic
(Institute of Physics Belgrade, Belgrade University, Pregrevica 118, 11080 Belgrade)
Description
Twenty years after the introduction of the Dynamical Mean Field Theory as a means of solving the Hubbard model, the focus has moved towards computationally very intensive multi-site and multi-orbital calculations, which are aimed at including spatial correlations, disorder and detailed atomic structure to the otherwise fairly simple model. However, limited computational resources create a need for faster and more optimized codes and even approximative solutions. We present here a highly optimized parallel implementation of the approximative second order perturbative approach especially suitable for a study of strongly disordered correlated systems. On this example, we give an overview of numerical challenges that arise in dealing with large systems of non-linear equations, ill-behaved discretized functions and self-consistent calculations in general. In the end, we discuss results of performance tests, outline possible improvements and make a comparison to the exact, but computationally very demanding Quantum Monte Carlo method.
Primary author
Mr
Jaksa Vucicevic
(Institute of Physics Belgrade, Belgrade University, Pregrevica 118, 11080 Belgrade)
Co-authors
Mr
Milos Radonjic
(Institute of Physics Belgrade, University of Belgrade)
Dr
Tanaskovic Darko
(Institute of Physics Belgrade)
