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physics.atm-clus2025
Impact of Atomic Substitution on Core-Hole Relaxation Dynamics: A Study of Br and IBr
Nivedita Bhat, Yeonsig Nam, Linda Young +2
Understanding inner-shell decay processes in heavy-element molecules is essential for unraveling x-ray-induced photodynamics and advancing molecular imaging techniques. In this stu…
physics.chem-ph2025
Computation of Auger Electron Spectra in Organic Molecules with Multiconfiguration Pair-Density Functional Theory
Adam E. A. Fouda, Bhavnesh Jangid, Eetu Pelimanni +4
Efficiently and accurately computing molecular Auger electron spectra for larger systems is limited by the increasing complexity of the scaling in the number of doubly ionized fina…