Quantum Monte Carlo Calculations for the Ground State of the Three-Band Hubbard Model*

The three-band Hubbard model captures several key features of the Copper-Oxide planes in cuprate superconductors, and provides the simplest model beyond the minimal one-band Hubbard model. Recent advances in cutting-edge computational methods allow us to perform an
extensive study of the model in the relevant regions of the parameter space. Interfacing generalized Hartree-Fock calculations with high-performance auxiliary-field quantum Monte Carlo techniques, we address the nature of the spin and charge order, as well as of pairing
correlations, as a function of the interaction strength and the charge transfer energy in the ground state of this model.