Ionization spectra and electronic decay in small iodide clusters: fully relativistic results.
Singly ionized systems in high-lying energetic final states can stabilize themselves via various electronic decay mechanisms. With increasing system size interatomic and intermolecular processes dominate over intra-atomic (Auger) decay channels. For the small (HI)(2) and (LiI)(2) clusters fully relativistic ionization spectra are calculated and the subsequent electronic decay of the cations is investigated. Due to the presence of the iodine atom a fully relativistic description is mandatory and was performed by the algebraic diagrammatic construction technique in its four-component form. The lifetimes of the singly ionized final states are estimated by the application of Weisskopf-Wigner [Z. Phys. 63, 54 (1930)] theory.
Pernpointner
Markus
M
Theoretische Chemie, Physikalisch-Chemisches Institut, Universität Heidelberg, Im Neuenheimer Feld 229, D-69120 Heidelberg, Germany. markus.pernpointner@tc.pci.uni-heidelberg.de
Knecht
Stefan
S
Cederbaum
Lorenz S
LS