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Supplemental Material

Name: Supplemental Material
Published: 2024-06-10T04:07:44+00:00
License: https://creativecommons.org/licenses/by/4.0/
Keywords: Quantum Chemistry, Excited States, Excitation Energies, DFT/MRCI, QUEST

dataset

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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Quantum Chemistry Excited States Excitation Energies DFT/MRCI QUEST

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CC BY 4.0

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