# A new scheme for fixed node diffusion quantum Monte Carlo with pseudopotentials: improving reproducibility and reducing the trial-wave-function bias. (arXiv:1907.04432v1 [physics.comp-ph])

Fixed node diffusion quantum Monte Carlo (FN-DMC) is an increasingly used
computational approach for investigating the electronic structure of molecules,
solids, and surfaces with controllable accuracy. It stands out among equally
accurate electronic structure approaches for its favorable cubic scaling with
system size, which often makes FN-DMC the only computationally affordable
high-quality method in large condensed phase systems with more than 100 atoms.
In such systems FN-DMC deploys pseudopotentials to substantially improve
efficiency. In order to deal with non-local terms of pseudopotentials, the