On the interatomic electronic processes following Auger decay in neon dimer.
The accessible relaxation channels of the electronic states of Ne(++)-Ne and Ne(3+)-Ne populated by KLL Auger decay are studied. In particular, we address the "direct" and "exchange" interatomic Coulombic decays (ICDs) and the electron-transfer-mediated decay following the population of one-site states Ne(++)(2s(-2))-Ne and Ne(++)(2s(-1)2p(-1) (1)P)-Ne. Radiative charge transfer of the low lying Ne(++)(2p(-2))-Ne states, three-electron ICD process from the Ne(++)(2s(-2))-Ne states, as well as charge transfer at the points of curve crossing of the lowest in energy Ne(3+)(2p(-3))-Ne states are also discussed. To carry out the present study, we have calculated the potential energy curves (from 1.75 to 5.00 A) of the ground state Ne(2), the core ionized state Ne(+)(1s(-1))-Ne, and the dicationic and tricationic states with energies in the range of 45-140 eV using accurate ab initio methods and basis sets. Apart from being of interest by themselves, the results obtained may be helpful in interpreting the recent measurements of interatomic electronic processes following Auger decay in neon dimer [K. Kreidi et al., J. Phys. B 41, 101002 (2008)].
Stoychev
Spas D
SD
Theoretische Chemie, PCI, Universitat Heidelberg, Im Neuenheimer Feld 229, 69120 Heidelberg, Germany. spas.stoychev@pci.uni-heidelberg.de
Kuleff
Alexander I
AI
Tarantelli
Francesco
F
Cederbaum
Lorenz S
LS