On the interatomic electronic processes following Auger decay in neon dimer

Area of Science:

• Atomic and Molecular Physics
• Quantum Chemistry
• Spectroscopy

Background:

• KLL Auger decay in neon dimer (Ne2) creates core-ionized states.
• These excited states can relax through various interatomic electronic processes.

Purpose of the Study:

• Investigate accessible relaxation channels for Ne(++)-Ne and Ne(3+)-Ne states populated by KLL Auger decay.
• Analyze direct and exchange interatomic Coulombic decays (ICDs) and electron-transfer-mediated decay.
• Discuss radiative charge transfer and three-electron ICD processes.

Main Methods:

• Accurate ab initio calculations of potential energy curves for Ne2, Ne(+)-Ne, Ne(++)-Ne, and Ne(3+)-Ne states.
• Calculations covered internuclear distances from 1.75 to 5.00 Å and energies from 45-140 eV.

Main Results:

• Detailed characterization of potential energy curves for various electronic states of ionized neon dimers.
• Identification and analysis of different interatomic electronic decay mechanisms, including ICD and charge transfer.
• Theoretical data provides a basis for interpreting experimental observations.

Conclusions:

• The study elucidates the complex relaxation dynamics following Auger decay in neon dimers.
• Results aid in understanding interatomic electronic processes and provide benchmarks for theoretical methods.
• Findings are relevant for interpreting experimental data on ionized rare gas dimers.