Localised Spin Rotation Data
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Dataset
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Authors
Lee, Nicholas
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.
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Software / Usage instructions
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
