Auxiliary field Monte Carlo for quantum many-body ground states

Gayle A. Sugiyama, S. E. Koonin

S. E. Koonin, Gayle A. Sugiyama, H. Friedrichl +1 more

Sandro Sorella

Michio Honma, T. Mizusaki, Takaharu Otsuka

We propose a Monte Carlo method for solving the quantum many-body interacting systems. Mean fields dominating the structure of low-lying states are selected by a Monte Carlo method, which generates optimum many-body basis states for diagonalizing the Hamiltonian consisting of one- and two-body terms. Not only the ground state but also low-lying excited states are obtained with their wave functions. Results are examined by comparison to exact values.

Yixiao Chen, Linfeng Zhang, E Weinan +1 more

We propose a quantum Monte Carlo approach to solve the many-body Schrödinger equation for the electronic ground state. The method combines optimization from variational Monte Carlo and propagation from auxiliary field quantum Monte Carlo in a way that significantly alleviates the sign problem. In application to molecular systems, we obtain highly accurate results for configurations dominated by either dynamic or static electronic correlation.

Federico Becca, Sandro Sorella