84 citations · 370 across the 18 of their papers we have counts for
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Multi-reference protocol for (auto)ionization spectra: application to molecules
Gilbert Grell, Sergey I. Bokarev
We present the application of the spherically averaged continuum model to the evaluation of molecular photoelectron and resonant Auger electron spectra. In this model, the continuu…
Site-selective and real-time observation of bimolecular electron transfer during photocatalytic water splitting
Alexander Britz, Sergey I. Bokarev, Tadesse A. Assefa +13
Time-resolved X-ray absorption spectroscopy has been utilized to monitor the bimolecular electron transfer in a photocatalytic water splitting system for the first time. This has b…
Multi-reference quantum chemistry protocol for simulating autoionization spectra: Test of ionization continuum models for the neon atom
Gilbert Grell, Oliver Kühn, Sergey I. Bokarev
In this contribution we present a protocol to evaluate partial and total Auger decay rates combining the restricted active space self-consistent field electronic structure method f…