Time-resolved X-ray and XUV based spectroscopic methods for nonadiabatic processes in photochemistry

Thomas Schnappinger, Deependra Jadoun, Mahesh Gudem and Markus Kowalewski

Chem. Commun., 2022, 58, 12763
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Disentangling the resonant Auger spectra of ozone: overlapping core-hole states and core-excited state dynamics

Bruno Nunes Cabral Tenorio, Klaus B. Møller, Piero Decleva and Sonia Coriani

Phys. Chem. Chem. Phys., 2022, 24, 28150
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Core-Level Spectroscopy of 2-Thiouracil at the Sulfur L1- and L2,3-Edges Utilizing a SASE Free-Electron Laser

Fabiano Lever, Dennis Mayer, Jan Metje, Skirmantas Alisauskas, Francesca Calegari, Stefan Düsterer, Raimund Feifel, Mario Niebuhr, Bastian Manschwetus, Marion Kuhlmann, Tommaso Mazza, Matthew Scott Robinson, Richard J. Squibb, Andrea Trabattoni, Måns Wallner, Thomas J. A. Wolf and Markus Gühr

Molecules, 2021, 26, 6469
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Inner-shell photoabsorption and photoionisation cross-sections of valence excited states from asymmetric-Lanczos equation-of-motion coupled cluster singles and doubles theory

Torsha Moitra, Sonia Coriani and Bruno Nunes Cabral Tenorio

Molecular Physics, 2021, 119
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Tracking dissociation pathways of nitrobenzene via mega-electron-volt ultrafast electron diffraction

Kareem Hegazy, Phil Bucksbaum, Martin Centurion, James Cryan, Renkai Li, Ming-Fu Lin, Bryan Moore, Pedro Nunes, Xiaozhe Shen, Stephen Weathersby, Jie Yang, Xijie Wang and Thomas Wolf

J. Phys. B: At. Mol. Opt. Phys., 2024, 57, 195101
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Modeling Intermolecular Coulombic Decay with Non-Hermitian Real-Time Time-Dependent Density Functional Theory

Yi-Siang Wang, James X. Zhong Manis, Matthew C. Rohan, Thomas M. Orlando and Joshua S. Kretchmer

J. Phys. Chem. Lett., 2024, 15, 7806
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Characterizing Conical Intersections in DNA/RNA Nucleobases with Multiconfigurational Wave Functions of Varying Active Space Size

Juliana Cuéllar-Zuquin, Ana Julieta Pepino, Ignacio Fdez. Galván, Ivan Rivalta, Francesco Aquilante, Marco Garavelli, Roland Lindh and Javier Segarra-Martí

J. Chem. Theory Comput., 2023, 19, 8258
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Time-resolved Auger–Meitner spectroscopy of the photodissociation dynamics of CS2

Henry J Thompson, Oksana Plekan, Matteo Bonanomi, Nitish Pal, Felix Allum, Alexander D Brynes, Marcello Coreno, Sonia Coriani, Miltcho B Danailov, Piero Decleva, Alexander Demidovich, Michele Devetta, Davide Faccialà, Raimund Feifel, Ruaridh Forbes, Cesare Grazioli, David M P Holland, Paolo Piseri, Kevin C Prince, Daniel Rolles, Michael S Schuurman, Alberto Simoncig, Richard J Squibb, Bruno N C Tenorio, Caterina Vozzi, Marco Zangrando, Carlo Callegari, Russell S Minns and Michele Di Fraia

J. Phys. B: At. Mol. Opt. Phys., 2024, 57, 215602
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Capturing fingerprints of conical intersection: Complementary information of non-adiabatic dynamics from linear x-ray probes

Deependra Jadoun, Mahesh Gudem and Markus Kowalewski

Structural Dynamics, 2021, 8
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Inverse Problems in Pump–Probe Spectroscopy

Denis S. Tikhonov, Diksha Garg and Melanie Schnell

Photochem, 2024, 4, 57
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A DFT/MRCI Hamiltonian parameterized using only ab initio data. II. Core-excited states

Teagan Shane Costain, Jibrael B. Rolston, Simon P. Neville and Michael S. Schuurman

The Journal of Chemical Physics, 2024, 161
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Multireference Approach to Normal and Resonant Auger Spectra Based on the One-Center Approximation

Bruno Nunes Cabral Tenorio, Torben Arne Voß, Sergey I. Bokarev, Piero Decleva and Sonia Coriani

J. Chem. Theory Comput., 2022, 18, 4387
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Influence of Selective Carbon 1s Excitation on Auger–Meitner Decay in the ESCA Molecule

A. E. A. Fouda, V. Lindblom, S. H. Southworth, G. Doumy, P. J. Ho, L. Young, L. Cheng and S. L. Sorensen

J. Phys. Chem. Lett., 2024, 15, 4286
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Time‐resolved x‐ray spectroscopy of nucleobases and their thionated analogs

Dennis Mayer, Fabiano Lever and Markus Gühr

Photochem & Photobiology, 2024, 100, 275
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Tracking conical intersection passage with time-resolved resonant Auger scattering

Chao Wang, Victor Kimberg, Maomao Gong, Yongjun Cheng, Xiao-Jing Liu, Oriol Vendrell, Kiyoshi Ueda and Song Bin Zhang

Phys. Rev. A, 2024, 110
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Resonant Raman Auger spectroscopy on transient core-excited Ne ions

Tommaso Mazza, Thomas M Baumann, Rebecca Boll, Alberto De Fanis, Simon Dold, Markus Ilchen, Terry Mullins, Yevheniy Ovcharenko, Daniel E Rivas, Björn Senfftleben, Sergey Usenko, Iyas Ismail, John D Bozek, Marc Simon, Stephan Fritzsche and Michael Meyer

J. Phys. B: At. Mol. Opt. Phys., 2024, 57, 225001
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Auger–Meitner and X-ray Absorption Spectra of Ethylene Cation: Insight into Conical Intersection Dynamics

Bruno Nunes Cabral Tenorio, Jacob Pedersen, Mario Barbatti, Piero Decleva and Sonia Coriani

J. Phys. Chem. A, 2024, 128, 107
DOI: 10.1021/acs.jpca.3c06386