Additional Research Data supporting "Diagrammatic Coupled Cluster Monte Carlo"
Di Remigio, Roberto
Crawford, T Daniel
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Scott, C., Di Remigio, R., Crawford, T. D., & Thom, A. (2019). Additional Research Data supporting "Diagrammatic Coupled Cluster Monte Carlo" [Dataset]. https://doi.org/10.17863/CAM.36097
Research data supporting "Diagrammatic Coupled Cluster Monte Carlo" paper. This includes all output files for diagrammatic Coupled Cluster Monte Carlo simulations performed upon the nitrogen molecule with a internuclear separation of 3.6Bohr in STO-3G and 6-31G basis sets. The remaining results within the paper and the code used to generate these results can be found at https://doi.org/10.17863/CAM.34952, and we refer to this deposit for additional clarification on the topic covered. All energies are in atomic units (Hartrees).
The python code used to generate these results can be found at https://doi.org/10.17863/CAM.34952
Coupled Cluster, Quantum Monte Carlo, Electronic Structure
Related Item: https://doi.org/10.17863/CAM.34952
Royal Society (uf110161)
Royal Society (UF160398)
This record's DOI: https://doi.org/10.17863/CAM.36097
Attribution-ShareAlike 4.0 International
Licence URL: http://creativecommons.org/licenses/by-sa/4.0/