Additional Research Data supporting "Diagrammatic Coupled Cluster Monte Carlo"
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https://www.repository.cam.ac.uk/handle/1810/289295
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资源简介：
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).
提供机构：
Apollo - University of Cambridge Repository
创建时间：
2019-02-06
