Interatomic Coulombic decay following resonant core excitation of Ar in argon dimer

被引:23
作者
Miteva, T. [1 ]
Chiang, Y. -C. [1 ]
Kolorenc, P. [2 ]
Kuleff, A. I. [1 ]
Gokhberg, K. [1 ]
Cederbaum, L. S. [1 ]
机构
[1] Heidelberg Univ, Inst Phys Chem, D-69120 Heidelberg, Germany
[2] Charles Univ Prague, Fac Math & Phys, Inst Theoret Phys, CR-18000 Prague, Czech Republic
关键词
GAUSSIAN-BASIS SETS; CORRELATED MOLECULAR CALCULATIONS; UNITARY GROUP-APPROACH; ELECTRON CORRELATION; AUGER-SPECTRA; NE DIMER; STATES; ENERGY; FRAGMENTATION; SPECTROSCOPY;
D O I
10.1063/1.4891986
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
A scheme utilizing excitation of core electrons followed by the resonant-Auger - interatomic Coulombic decay (RA-ICD) cascade was recently proposed as a means of controlling the generation site and energies of slow ICD electrons. This control mechanism was verified in a series of experiments in rare gas dimers. In this article, we present fully ab initio computed ICD electron and kinetic energy release spectra produced following 2p(3/2) -> 4s, 2p(1/2) -> 4s, and 2p(3/2) -> 3d core excitations of Ar in Ar-2. We demonstrate that the manifold of ICD states populated in the resonant Auger process comprises two groups. One consists of lower energy ionization satellites characterized by fast interatomic decay, while the other consists of slow decaying higher energy ionization satellites. We show that accurate description of nuclear dynamics in the latter ICD states is crucial for obtaining theoretical electron and kinetic energy release spectra in good agreement with the experiment. (C) 2014 AIP Publishing LLC.
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页数:10
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