Cluster-diagrammatic D-TRILEX approach to non-local electronic correlations

Overview & Synopsis

In this work, we extend the theoretical approach known as "D-TRILEX", developed for solving correlated electronic systems, to a cluster reference system for the diagrammatic expansion. This framework allows us to consistently combine the exact treatment of short-range correlation effects within the cluster, with an efficient diagrammatic description of the long-range charge and spin collective fluctuations beyond the cluster. We demonstrate the effectiveness of our approach by applying it to the one-dimensional nano-ring Hubbard model, where the low dimensionality enhances non-local correlations. Our results show that the cluster extension of D-TRILEX accurately reproduces the electronic self-energy at momenta corresponding to the Fermi energy, in good agreement with the numerically exact quantum Monte Carlo solution of the problem, and outperforms significantly more computationally demanding approach based on the parquet approximation. We show that the D-TRILEX diagrammatic extension drastically reduces the periodization ambiguity of cluster quantities when mapping back to the original lattice, compared to cluster dynamical mean-field theory (CDMFT). Furthermore, we identify the CDMFT impurity problem as the main source of the translational-symmetry breaking and propose the computational scheme for improving the starting point for the cluster-diagrammatic expansion.