HubbDMFT and Wan2mbDMFT: Continuous-Time Quantum Monte Carlo Solvers for Single- and Multi-Orbital Hubbard Model
A. A. Katanin
Abstract
We present two related customized software packages, HubbDMFT and Wan2mbDMFT, designed to solve the Dynamical Mean-Field Theory (DMFT) equations for strongly correlated electron systems. HubbDMFT is adjusted for the single-band Hubbard model, providing a fast way to calculate the local self-energy, as well as the two-particle fermion and triangular fermion-boson charge and spin vertices, while Wan2mbDMFT extends this capability to realistic multi-orbital systems, directly interfacing Wannier tight-binding Hamiltonians with many-body solvers. Both codes are based on iQIST v.0.7 impurity solver and utilize a modified and internally integrated Continuous-Time Quantum Monte Carlo (CT-QMC) core with the hybridization expansion (CT-HYB) framework and improved self-energy and vertex estimators for density-density interaction, ensuring numerically exact solutions for quantum impurity problems.
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