Auxiliary field quantum Monte Carlo with matrix product states

The auxiliary field quantum Monte Carlo method offers an effective route to describe the electronic ground state in weakly and strongly correlated systems. However, its accuracy depends on how well the trial state represents the sign structure of the exact wave function. Here we explore the application of matrix product states to represent both the trial state and the walker states, using a local auxiliary field decomposition, and consider in particular the possibility of capturing correlation effects in molecular systems with a low effective bond dimension.