Field of Expertise: Advanced Material Science | |
Efficient cluster-based solvers for dynamical mean-field theory The physics of materials with strongly correlated electrons is one of the most fascinating topics in modern solid-state research. Standard band structure methods often provide even qualitatively wrong results and are not suitable for an accurate description of such systems and thus a many-body approach based on model Hamiltonians is required. One of the most successful methods available for strongly correlated materials is the dynamical mean-field theory (DMFT). To solve the self-consistent set of DMFT equations, it is necessary to determine the Green’s function of the so-called Anderson impurity model. The main aim of this work is the development and the implementation of a new impurity solver based on exact diagonalization and an adapted version of cluster perturbation theory. |