3 papers
quant-ph2025
Influence of vibrational motion and temperature on interatomic Coulombic electron capture
Elena M. Jahr, Jan Senk, Jan P. Drennhaus +3
Interatomic Coulombic Electron Capture (ICEC) is an environment-mediated process in which a free electron attaches to a species by transferring excess energy to a neighbor. While p…
physics.chem-ph2025
Complex-variable MP2 theory applied to core-vacant states for the computation of Auger spectra
Florian Matz, Jan Philipp Drennhaus, Anthuan Ferino-Pérez +1
We model Auger spectra using second-order Møller-Plesset perturbation (MP2) theory combined with complex-scaled basis functions. For this purpose, we decompose the complex MP2 ener…
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…