Data for Huzinaga Projection Embedding for Efficient and Accurate Energies of Systems with Localized Spin-densities

Graham, Daniel SWen, XuelanChulhai, Dhabih VGoodpaster, Jason D2021-05-072021-05-072021-05-07https://hdl.handle.net/11299/219605Geometry files are stored in xyz format. Geometries are optimized using the method defined within the accompanying text. QSoME output files are stored as out files and readable in ascii text format.All relevant output files for open-shell ground state Huzinaga embedding WF-in-DFT energy calculations.CC0 1.0 Universalhttp://creativecommons.org/publicdomain/zero/1.0/Quantum ChemistryEmbeddingMOFData for Huzinaga Projection Embedding for Efficient and Accurate Energies of Systems with Localized Spin-densitiesDatasethttps://doi.org/10.13020/3dwv-wv71