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Theoretical beamlines to time-resolved ultrafast Auger electron spectroscopy

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Photoionization Observables from Multi-Reference Dyson Orbitals Coupled to B-Spline DFT and TD-DFT Continuum

Author(s): Aurora Ponzi; Piero Decleva; Bruno Tenório; Sonia Coriani
Published in: Molecules, 4, 2022, Page(s) 1203, ISSN 1420-3049
Publisher: Multidisciplinary Digital Publishing Institute (MDPI)
DOI: 10.3390/molecules27041203

Multi-reference approach to the computation of double core-hole spectra

Author(s): Bruno Nunes Cabral Tenorio; Piero Decleva; Sonia Coriani; Sonia Coriani
Published in: The Journal of Chemical Physics, 155, 2021, Page(s) 131101, ISSN 0021-9606
Publisher: American Institute of Physics
DOI: 10.1063/5.0062130

Multireference Approach to Normal and Resonant Auger Spectra Based on the One-Center Approximation

Author(s): Bruno Nunes Cabral Tenorio; Torben Arne Voß; Sergey I. Bokarev; Piero Decleva; Sonia Coriani
Published in: J. Chem. Theory Comput., 18, 2022, Page(s) 4387-4407, ISSN 1549-9618
Publisher: American Chemical Society
DOI: 10.1021/acs.jctc.2c00252