Dynamical Mean-Field Theory Simulations with the Adaptive Sampling Configuration Interaction Method

Understand

In the pursuit of accurate descriptions of strongly correlated quantum many-body systems, dynamical mean-field theory (DMFT) has been an invaluable tool for elucidating the spectral properties and quantum phases of both phenomenological models and ab initio descriptions of real materials.

• Key to the DMFT process is the self-consistent map of the original system into an Anderson impurity model, the ground state of which is computed using an impurity solver.
• The power of the method is thus limited by the complexity of the impurity model the solver can handle.
• Simulating realistic systems generally requires many correlated sites.