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In this contribution we present a protocol to evaluate partial and totalAuger decay rates combining the restricted active space self-consistent fieldelectronic structure method for the bound part of the spectrum and numericallyobtained continuum orbitals in the single-channel scattering theory framework.On top of that, the two-step picture is employed to evaluate the partial rates.The performance of the method is exemplified for the prototypical Auger decayof the neon $1s^{-1}3p$ resonance. Different approximations to obtain thecontinuum orbitals, the partial rate matrix elements, and the electronicstructure of the bound part are tested against theoretical and experimentalreference data. It is demonstrated that the partial and total rates are mostsensitive to the accuracy of the continuum orbitals. For instance, it isnecessary to account for the direct Coulomb potential of the ion for thedetermination of the continuum wave functions. The Auger energies can bereproduced quite well already with a rather small active space. Finally,perspectives of the application of the proposed protocol to molecular systemsare discussed.

Multi-reference quantum chemistry protocol for simulating autoionization spectra: Test of ionization continuum models for the neon atom