Interatomic Coulombic decay in Neon-Helium cluster: a complex absorbing potential based equation-of-motion coupled cluster investigation

TitleInteratomic Coulombic decay in Neon-Helium cluster: a complex absorbing potential based equation-of-motion coupled cluster investigation
Publication TypeJournal Article
Year of Publication2021
AuthorsGhosh, A, Pal, S, Vaval, N
JournalMolecular Physics
Volume119
Issue9
Paginatione1884300
Date PublishedMAY
Type of ArticleArticle
ISSN0026-8976
Keywordsdouble ionised state, equation-of-motion coupled cluster (EOMCC), He droplet, interatomic Coulombic decay (ICD)
Abstract

The interatomic Coulombic decay (ICD) of the Ne(2s(-1)) and Ne(2s(-1)2p(-1)) states in neon-helium dimer is studied using highly accurate complex absorbing potential based equation-of-motion coupled cluster (CAP-EOMCC) method. The ICD decay process for the Ne(2s(-1)) state in neon-helium dimer is closed at its equilibrium bond distance. However, the decay channel is open at large bond distance of 6.2 angstrom. The decay channel for the double ionised Ne(2s(-1)2p(-1)) state is open at 3.46 angstrom. From our calculations, we have noticed that the decay rate of Ne(2s(-1)2p(-1)) state in neon-helium dimer is four times faster compared to the Ne(2s(-1)) state. We have also investigated how the decay rate of Ne(2s(-1)) state in neon-helium cluster varies in the presence of different helium environment. [GRAPHICS] .

DOI10.1080/00268976.2021.1884300, Early Access Date = FEB 2021
Type of Journal (Indian or Foreign)

Foreign

Impact Factor (IF)1.962
Divison category: 
Physical and Materials Chemistry

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