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Importance-sampling FCIQMC: solving weak sign-problem systems
2022
Journal of Chemical Physics
We investigate the exact FCIQMC algorithm (without the initiator approximation) applied to weak sign-problem fermionic systems, namely systems in which the energy gap to the corresponding sign-free or "stoquastized" state is small. We show that the minimum number of walkers required to exactly overcome the sign problem can be significantly reduced via an importance-sampling similarity transformation, even though the similarity-transformed Hamiltonian has the same stoquastic gap as the
doi:10.1063/5.0107317
pmid:36182439
fatcat:s277s26dzfgfnh4m37wk5kdele