Dynamics of interatomic Coulombic decay in a Ne dimer following theK−L1L2,3(P1)Auger transition in the Ne atom

Abstract

The interatomic Coulombic decay (ICD) following $K$-shell ionization of the Ne dimer and subsequent one-site atomic Auger decay of the $\mathrm{Ne}_{2}{}^{+}(1{s}^{\ensuremath{-}1})$ states is studied theoretically. In particular we consider electronic decay of the ${\mathrm{Ne}}^{2+}(2{s}^{\ensuremath{-}1}2{p}^{\ensuremath{-}1}\phantom{\rule{0.2em}{0ex}}^{1}P)\mathrm{Ne}$ weakly bound doubly ionized states into the manifold of the ${\mathrm{Ne}}^{2+}(2{p}^{\ensuremath{-}2}\phantom{\rule{0.2em}{0ex}}^{1}D)\text{\ensuremath{-}}{\mathrm{Ne}}^{+}(2{p}^{\ensuremath{-}1})$ repulsive triply ionized ones. The total and partial ICD electron spectra are computed within the framework of the time-dependent theory of wave packet propagation. Thereby, we investigate the impact of nuclear dynamics accompanying the electronic decay on the computed spectra in some detail. The computed total ICD electron spectrum is found to be in very good agreement with the recently measured one.