The HANDE-QMC Project: Open-Source Stochastic Quantum Chemistry from the Ground State Up.

@article{Spencer2019TheHP,
  title={The HANDE-QMC Project: Open-Source Stochastic Quantum Chemistry from the Ground State Up.},
  author={J. Spencer and N. S. Blunt and S. Choi and Jiř{\'i} Etrych and Maria-Andreea Filip and W. Foulkes and R. Franklin and Will Handley and F. Malone and V. Neufeld and Roberto Di Remigio and T. Rogers and Charles J C Scott and J. Shepherd and W. A. Vigor and J. Weston and RuQing Xu and A. Thom},
  journal={Journal of chemical theory and computation},
  year={2019},
  volume={15 3},
  pages={
          1728-1742
        }
}
Building on the success of Quantum Monte Carlo techniques such as diffusion Monte Carlo, alternative stochastic approaches to solve electronic structure problems have emerged over the past decade. The full configuration interaction quantum Monte Carlo (FCIQMC) method allows one to systematically approach the exact solution of such problems, for cases where very high accuracy is desired. The introduction of FCIQMC has subsequently led to the development of coupled cluster Monte Carlo (CCMC) and… Expand
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