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    Rights statement: Copyright 2020 American Institute of Physics. The following article appeared in The Journal of Chemical Physics, 152, 15 2020 and may be found at http://dx.doi.org/10.1063/1.5144288 This article may be downloaded for personal use only. Any other use requires prior permission of the author and the American Institute of Physics.

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Variational and Diffusion Quantum Monte Carlo Calculations with the CASINO Code

Research output: Contribution to Journal/MagazineJournal articlepeer-review

Published
  • Richard Needs
  • M. D. Towler
  • Neil Drummond
  • Pablo Lopez Rios
  • J. R. Trail
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Article number154106
<mark>Journal publication date</mark>21/04/2020
<mark>Journal</mark>Journal of Chemical Physics
Issue number15
Volume152
Number of pages42
Publication StatusPublished
<mark>Original language</mark>English

Abstract

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. We review a range of recent applications of CASINO.

Bibliographic note

Copyright 2020 American Institute of Physics. The following article appeared in The Journal of Chemical Physics, 152, 15 2020 and may be found at http://dx.doi.org/10.1063/1.5144288 This article may be downloaded for personal use only. Any other use requires prior permission of the author and the American Institute of Physics.