Real-space cluster dynamical mean-field theory: Center-focused extrapolation on the one- A nd two particle-levels

Abstract

We revisit the cellular dynamical mean-field theory (CDMFT) for the single-band Hubbard model on the square lattice at half filling, reaching real-space cluster sizes of up to 9×9 sites. Using benchmarks against direct lattice diagrammatic Monte Carlo at high temperature, we show that the self-energy obtained from a cluster center-focused extrapolation converges faster with the cluster size than the periodization schemes previously introduced in the literature. The same benchmark also shows that the cluster spin susceptibility can be extrapolated to the exact result at large cluster size, even though its spatial extension is larger than the cluster size.