4.7 Article

Variational and diffusion quantum Monte Carlo calculations with the CASINO code

Journal

JOURNAL OF CHEMICAL PHYSICS
Volume 152, Issue 15, Pages -

Publisher

AMER INST PHYSICS
DOI: 10.1063/1.5144288

Keywords

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Funding

  1. Theory of Condensed Matter Group at the University of Cambridge
  2. Condensed Matter Theory Group at Lancaster University
  3. Electronic Structure Theory Group at the Max-Planck Institute for Solid State Research
  4. Engineering and Physical Sciences Research Council of the United Kingdom [EP/P034616/1]
  5. EPSRC [EP/P034616/1] Funding Source: UKRI

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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 weaknesses. We review a range of recent applications of casino.

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