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Resonating valence bond quantum Monte Carlo: Application to the ozone molecule
Authors:Sam Azadi  Ranber Singh  Thoms D Kühne
Institution:1. Department of Physics, Imperial College London, London, United Kingdom;2. Institute of Physical Chemistry and Center for Computational Sciences, Johannes Gutenberg University Mainz, Mainz, Germany;3. Department of Physics, DAV University Jalandhar, Punjab, India;4. Dynamics of Condensed Matter, Department of Chemistry, University of Paderborn, Padeborn, Germany;5. Paderborn Center for Parallel Computing and Institute for Lightweight Design with Hybrid Systems, University of Paderborn, Padeborn, Germany
Abstract:
Keywords:quantum Monte Carlo  resonating valence bond  static electron correlation  dynamics electron correlation
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