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团簇中内价激发态的原子间衰变。

Interatomic decay of inner-valence-excited states in clusters.

作者信息

Gokhberg Kirill, Averbukh Vitali, Cederbaum Lorenz S

机构信息

Theoretische Chemie, Physikalisch-Chemisches Institut, Universität Heidelberg, Im Neuenheimer Feld 229, D-69120 Heidelberg, Germany.

出版信息

J Chem Phys. 2006 Apr 14;124(14):144315. doi: 10.1063/1.2187472.

Abstract

In an isolated atom, excitation of an inner valence electron above the outer valence subshell leads to creation of an autoionizing state. Recently, it has been demonstrated experimentally that in a cluster, the inner-valence-excited states can decay also by an interatomic mechanism which has been called resonant interatomic Coulombic decay (RICD). Here we show that RICD is indeed the leading but not the only possible interatomic decay mode of the inner-valence excitations in clusters. Using Ne (2s-->3p) excitation in MgNe cluster as an example, we explore the possible decay mechanisms and draw conclusions on their relative importance and on the nature of the corresponding decay products.

摘要

在孤立原子中,内价电子激发到外层价子壳层之上会导致自电离态的产生。最近,实验已经证明,在团簇中,内价激发态也可以通过一种被称为共振原子间库仑衰变(RICD)的原子间机制衰变。在这里,我们表明RICD确实是团簇中内价激发的主要但不是唯一可能的原子间衰变模式。以MgNe团簇中Ne(2s→3p)激发为例,我们探索了可能的衰变机制,并就它们的相对重要性以及相应衰变产物的性质得出结论。

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