4 papers
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 ene…
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…
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…
Time-Resolved Rubidium-Assisted Electron Capture by Barium (II) Cation
Axel Molle, Jan Philipp Drennhaus, Viktoria Noel +2
Non-local energy transfer between bound electronic states close to the ionisation threshold is employed for efficient state preparation in dilute atom systems from technological fo…