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posted on 2024-06-10, 04:07 authored by Teagan Costain, Victoria Ogden, Simon Neville, Michael Schuurman
Fitting and Validation Excitation Energy data sets and relevant nuclear geometries

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    Journal of Chemical Physics

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    Keywords

    Quantum ChemistryExcited StatesExcitation EnergiesDFT/MRCIQUEST

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    CC BY 4.0

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