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physics.chem-ph2024
Ab initio treatment of molecular Coster-Kronig decay using complex-scaled equation-of-motion coupled-cluster theory
Jan Philipp Drennhaus, Anthuan Ferino Pérez, Florian Matz +1
Vacancies in the L1 shell of atoms and molecules can decay non-radiatively via Coster-Kronig decay whereby the vacancy is filled by an electron from the L2,3 shell while a second e…
physics.chem-ph2024
Coupled-cluster approach to Coster-Kronig decay and Auger decay in hydrogen sulfide and argon
Jan Philipp Drennhaus, Anthuan Ferino-Pérez, Florian Matz +1
We perform ab initio simulations of the total and partial Auger decay widths of 1s^-1, 2s^-1, and 2p^-1 ionized hydrogen sulfide and 2s^-1 ionized argon with non-Hermitian quantum…