35 citations · 146 across the 21 of their papers we have counts for
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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…
Dissociative Electron Attachment on Metal Surfaces: The Case of HCl on Au(111)
Robin E. Moorby, Valentina Parravicini, Thomas-C. Jagau +1
The transfer of charges, including electrons and holes, is a key step in heterogeneous catalysis, taking part in the reduction and oxidation of adsorbate species on catalyst surfac…
Ab initio computation of Auger decay in heavy metals: zinc about it
Anthuan Ferino-Pérez, Thomas-C. Jagau
We report the first coupled-cluster study of Auger decay in heavy metals. The zinc atom is used as a case study due to its relevance to the Auger emission properties of the …
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…
Signatures of s-wave scattering in bound electronic states
Robin E. Moorby, Valentina Parravicini, Maristella Alessio +1
We compute EOM-EA-CCSD and EOM-EA-CCSDT potential energy curves and one-electron properties of several anions at bond lengths close to where these states become unbound. In the pot…