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Computational X-ray Spectroscopy

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2 results in Keywords: Computational X-ray Spectroscopy

Theoretical and Computational Chemistry

Cherry-picking resolvents: Recovering the valence contribution in X-ray two-photon absorption within the core--valence-separated equation-of-motion coupled-cluster response theory

Josefine Andersen, Kaushik Nanda, Anna Krylov, Sonia Coriani

Version 1 posted 30 May 2022

159

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Physical Chemistry

Capturing Coupled Structural and Electronic Motions During Excited-State Intramolecular Proton Transfer via Computational Multi-edge Resonant Inelastic X-ray Scattering

Amke Nimmrich, Niranjan Govind, Munira Khalil

Version 1 posted 16 September 2024

152

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