Localised Spin Rotation Data
Authors
Lee, Nicholas
Thom, Alex
Publication Date
2021-12-22Type
Dataset
Metadata
Show full item recordCitation
Lee, N., & Thom, A. (2021). Localised Spin Rotation Data [Dataset]. https://doi.org/10.17863/CAM.78809
Description
The data files for the following systems:
Titanium-Alizarin complex, Carbenes and Cyclobutadienes.
Research data for the figures in the paper "Localised Spin Rotation: A Size-Consistent Approach to Non-Orthogonal Configuration Interaction".
The data files were generated using QCMagic, an in-house code of the Thom group. Uses Python 2.
Format
The data files were generated using QCMagic, an in-house code of the Thom group. Uses Python 2.
Keywords
Electronic Structure, Quantum Mechanics, Spin rotation
Relationships
Publication Reference: https://doi.org/10.1021/acs.jctc.1c00862
Identifiers
This record's DOI: https://doi.org/10.17863/CAM.78809
Rights
Attribution 4.0 International (CC BY 4.0)
Licence URL: https://creativecommons.org/licenses/by/4.0/
Statistics
Total file downloads (since January 2020). For more information on metrics see the
IRUS guide.
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