Interatomic Coulombic decay and its dynamics in NeAr following K-LL Auger transition in the Ne atom

Article

Interatomic Coulombic decay and its dynamics in NeAr following K-LL Auger transition in the Ne atom

Demekhin Ph. V.; Chiang Y.-C.; Stoychev S. D.; Kolorenč P.; Scheit S.; Kuleff A.I.; Tarantelli F.; and Cederbaum L.S.

J. Chem. Phys. 131, 104303 (2009)

Abstract

We analyze in detail the accessible relaxation pathways via electron emission of the Ne(2+)Ar states populated via the K-LL Auger decay of Ne(+)(1s(-1))Ar. In particular, we concentrate on the “direct” interatomic Coulombic decay (ICD) of the Ne(2+)(2s(-1)2p(-1))Ar weakly bound doubly ionized states into the manifold of the Ne(2+)(2p(-2))-Ar(+)(3p(-1)) repulsive triply ionized ones. To carry out the present study the potential energy curves of the NeAr ground state, the core ionized state Ne(+)(1s(-1))Ar, the relevant dicationic and tricationic states, and the corresponding ICD transition rates have been computed using accurate ab initio methods and basis sets. The total and partial ICD electron spectra are computed within the framework of the time-dependent theory of wave packet propagation. Thereby, the impact of nuclear dynamics accompanying the electronic decay on the computed ICD-electron spectra is investigated in detail. (C) 2009 American Institute of Physics.

Institute authors

Kolorenč, Přemysl

Supported by

GACR 202/09/0786 — Dynamics of non-radiative inter-atomic decay processes in clusters

BibTeX

@article{UTF421,
  author        = {Demekhin Ph. V. and  Chiang Y.-C. and Stoychev S. D. and  Kolorenč P. and Scheit S. and Kuleff A.I. and Tarantelli F. and and Cederbaum L.S.},
  title         = {{Interatomic Coulombic decay and its dynamics in NeAr following K-LL Auger transition in the Ne atom}},
  journal       = {J. Chem. Phys.},
  volume        = {131},
  pages         = {104303},
  year          = {2009},
  month         = {9},
  doi           = {10.1063/1.3211114},
  url           = {https://aip.scitation.org/doi/full/10.1063/1.3211114?journalCode=jcp},
}