Variational and Diffusion Quantum Monte Carlo Calculations with the CASINO Code

13 Mar 2020 Needs R. J. Towler M. D. Drummond N. D. Rios P. Lopez Trail J. R.

We present an overview of the variational and diffusion quantum Monte Carlo methods as implemented in the CASINO program. We particularly focus on developments made in the last decade, describing state-of-the-art quantum Monte Carlo algorithms and software and discussing their strengths and their weaknesses... (read more)

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  • COMPUTATIONAL PHYSICS
  • MATERIALS SCIENCE