Localised Spin Rotation Data
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Lee, N., & Thom, A. (2021). Localised Spin Rotation Data [Dataset]. https://doi.org/10.17863/CAM.78809
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.
The data files were generated using QCMagic, an in-house code of the Thom group. Uses Python 2.
Electronic Structure, Quantum Mechanics, Spin rotation
Publication Reference: https://doi.org/10.1021/acs.jctc.1c00862
This record's DOI: https://doi.org/10.17863/CAM.78809
Attribution 4.0 International (CC BY 4.0)
Licence URL: https://creativecommons.org/licenses/by/4.0/