Localised Spin Rotation Data

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Authors
Lee, Nicholas
Thom, Alex
Publication Date
2021-12-22
Type
Dataset
Metadata
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Citation
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/
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Attribution 4.0 International (CC BY 4.0)
Except where otherwise noted, this item's licence is described as Attribution 4.0 International (CC BY 4.0)