Fingerprints of the nodal structure of autoionizing vibrational wave functions in clusters: Interatomic Coulombic decay in Ne dimer

Citation
N. Moiseyev et al., Fingerprints of the nodal structure of autoionizing vibrational wave functions in clusters: Interatomic Coulombic decay in Ne dimer, J CHEM PHYS, 114(17), 2001, pp. 7351-7360
Citations number
33
Language
INGLESE
art.tipo
Article
Categorie Soggetti
Physical Chemistry/Chemical Physics
Journal title
JOURNAL OF CHEMICAL PHYSICS
ISSN journal
0021-9606 → ACNP
Volume
114
Issue
17
Year of publication
2001
Pages
7351 - 7360
Database
ISI
SICI code
0021-9606(20010501)114:17<7351:FOTNSO>2.0.ZU;2-F
Abstract
The removal of an inner-valence electron from neutral neon clusters leads t o autoionization and subsequent fragmentation of the cationic clusters in a ccordance with the interatomic Coulombic decay mechanism discovered recentl y. Using non-Hermitian quantum scattering theory we investigate this proces s in detail for the Ne dimer. We show that a pronounced structure can be ob served when measuring the autoionizing electron or the Ne+ kinetic energy d istributions. This phenomenon is associated with the properties of the vibr ational autoionizing resonance states of the electronically excited cationi c dimer. By suppressing coherence among the different vibrational autoioniz ing resonances, or by selectively exciting one of them, the structures in t he kinetic energy distributions become more pronounced. It is demonstrated that these structures reflect the nodal structure of the wave functions of the autoionizing vibrational states most populated by the initial ionizatio n of the neutral neon dimer. In a coherent decay we encounter substantial i nterference effects, but the nodal pattern of the corresponding wave functi ons is still present. The kinetic energy distributions are generally very s ensitive to details of the potential energy curves of clusters. (C) 2001 Am erican Institute of Physics.