Hierarchical Liouville-space approach for accurate and universal characterization of quantum impurity systems

Abstract: A hierarchical equations of motion (HEOM) based numerical approach is developed for accurate and efficient evaluation of dynamical observables of strongly correlated quantum impurity systems. This approach is capable of describing quantitatively Kondo resonance and Fermi liquid characteristics, achieving the accuracy of latest high-level numerical renormalization group approach, as demonstrated on single-impurity Anderson model systems. Its application to a two-impurity Anderson model results in differential conductance versus external bias, which correctly reproduces the continuous transition from Kondo states of individual impurity to singlet spin-states formed between two impurities. The outstanding performance on characterizing both equilibrium and nonequilibrium properties of quantum impurity systems makes the HEOM approach potentially useful for addressing strongly correlated lattice systems in the frame work of dynamical mean field theory.