Interatomic (Intermolecular) Decay Processes in Clusters: Current Status and Outlook

Averbukh, V. M.; Cederbaum, Lorenz S.

doi:10.1063/1.2827022

Cited by 2 publications

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“…The average of the 23ഛ n S ഛ 29 approximations to the total width is equal to 0.60 eV, exactly as expected on the basis of the results of Ref. 46 The results obtained in this section suggest that the ADC͑2e͒-based technique is suitable for the calculation of the total decay widths of vacancies for which the intraatomic ͑intramolecular͒ electron correlation effect is not too strong, such as Ne 2s. The results of this and other calculations described in this section are summarized in Table I.…”

Section: Total Widths Of the Atomic Auger And The Coster-kronig supporting

confidence: 86%

Ab initiocalculation of interatomic decay rates by a combination of the Fano ansatz, Green’s-function methods, and the Stieltjes imaging technique

Averbukh

Cederbaum

2005

The Journal of Chemical Physics

144

179

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A new computational technique is introduced for the ab initio calculation of the rates of interatomic and intermolecular nonradiative decay processes occurring due to electronic correlation. These recently discovered phenomena are described theoretically using the configuration-interaction formalism first introduced by Fano [Phys. Rev. 124, 1866 (1961)] and later adapted to an Auger decay by Howat et al. [J. Phys. B 11, 1575 (1978)]. The boundlike and the continuumlike components of the wave function of the decaying state are constructed using a Green's-function method known as algebraic diagrammatic construction. A combination of atomic and distributed Gaussian basis sets is shown to provide an adequate description of both boundlike and continuumlike wave-function components. The problem of the normalization of the continuum (final state) wave function is addressed using the Stieltjes imaging technique. The new method is applied to the calculation of the rates of interatomic decay in alkaline-earth-rare-gas clusters. The obtained results help to verify our earlier conclusions [Phys. Rev. Lett. 93, 263002 (2004)] regarding the validity of the virtual-photon transfer model for the interatomic Coulombic decay. In addition, we demonstrate that the process of electron-transfer-mediated decay is responsible for the finite lifetimes of the outer valence vacancies in alkaline-earth-rare-gas clusters.

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Section: Total Widths Of the Atomic Auger And The Coster-kronig supporting

confidence: 86%

Ab initiocalculation of interatomic decay rates by a combination of the Fano ansatz, Green’s-function methods, and the Stieltjes imaging technique

Averbukh

Cederbaum

2005

The Journal of Chemical Physics

144

179

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“…The final state is thus characterized by two outer-valence vacancies, each on a different cluster subunit. 17 and references therein͒. 7 Since then the ICD phenomenon has been intensively studied both theoretically [8][9][10][11][12] and experimentally.…”

Section: Introductionmentioning

confidence: 99%

On the interatomic electronic processes following Auger decay in neon dimer

Stoychev¹,

Kuleff²,

Tarantelli³

et al. 2008

The Journal of Chemical Physics

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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)].

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Interatomic (Intermolecular) Decay Processes in Clusters: Current Status and Outlook

Cited by 2 publications

References 0 publications

Ab initiocalculation of interatomic decay rates by a combination of the Fano ansatz, Green’s-function methods, and the Stieltjes imaging technique

Ab initiocalculation of interatomic decay rates by a combination of the Fano ansatz, Green’s-function methods, and the Stieltjes imaging technique

On the interatomic electronic processes following Auger decay in neon dimer

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