84 citations · 208 across the 5 of their papers we have counts for
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physics.chem-ph2019★ 38 cited
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…
physics.chem-ph2019★ 32 cited
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…