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Article Dans Une Revue Journal of Chemical Theory and Computation Année : 2020

Mountaineering Strategy to Excited States: Highly Accurate Energies and Benchmarks for Exotic Molecules and Radicals

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Aiming at completing the sets of FCI-quality transition energies that we recently developed (
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hal-03011529 , version 1 (23-11-2020)

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Pierre-Francois Loos, Anthony Scemama, Martial Boggio-Pasqua, Denis Jacquemin. Mountaineering Strategy to Excited States: Highly Accurate Energies and Benchmarks for Exotic Molecules and Radicals. Journal of Chemical Theory and Computation, 2020, 16 (6), pp.3720-3736. ⟨10.1021/acs.jctc.0c00227⟩. ⟨hal-03011529⟩
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