Published August 24, 2020
| Version v1
Dataset
Open
Research Data Supporting "Theory and Implementation of a Novel Stochastic Approach to Coupled Cluster"
Authors/Creators
- 1. Department of Physics, King's College London, Strand, London WC2R 2LS, United Kingdom
- 2. Hylleraas Centre for Quantum Molecular Sciences, Department of Chemistry, UiT The Arctic University of Norway, N-9037 Tromsø, Norway. Department of Chemistry, Virginia Tech, Blacksburg, Virginia, United States.
- 3. Department of Chemistry, Virginia Tech, Blacksburg, Virginia, United States. Molecular Sciences Software Institute, Blacksburg, Virginia, USA.
- 4. Department of Chemistry, University of Cambridge, Cambridge, UK
Description
Research data supporting "Theory and Implementation of a Novel Stochastic Approach to Coupled Cluster". This dataset includes all outputs for diagrammatic Coupled Cluster Monte Carlo simulations on systems of noninteracting hydrogen square replicas, and the double dissociation of water. This dataset also includes all code used to generate, analyse and plot all diagCCMC results.
Files
Files
(105.3 MB)
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md5:54aa08af17e0460cd8ed35b0e014100a
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105.3 MB | Download |