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Creators/Authors contains: "Busemeyer, Brian"

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  1. ; ; ; ; ; ; ; ; ; ; et al ( , The Journal of Chemical Physics)

    We describe a new open-source Python-based package for high accuracy correlated electron calculations using quantum Monte Carlo (QMC) in real space: PyQMC. PyQMC implements modern versions of QMC algorithms in an accessible format, enabling algorithmic development and easy implementation of complex workflows. Tight integration with the PySCF environment allows for a simple comparison between QMC calculations and other many-body wave function techniques, as well as access to high accuracy trial wave functions.

     
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  2. ; ; ( , Physical Review B)
  3. ; ; ; ; ( , Physical Review B)