Interatomic Coulombic decay in Neon-Helium cluster: a complex absorbing potential based equation-of-motion coupled cluster investigation
Title | Interatomic Coulombic decay in Neon-Helium cluster: a complex absorbing potential based equation-of-motion coupled cluster investigation |
Publication Type | Journal Article |
Year of Publication | 2021 |
Authors | Ghosh, A, Pal, S, Vaval, N |
Journal | Molecular Physics |
Volume | 119 |
Issue | 9 |
Pagination | e1884300 |
Date Published | MAY |
Type of Article | Article |
ISSN | 0026-8976 |
Keywords | double 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] . |
DOI | 10.1080/00268976.2021.1884300, Early Access Date = FEB 2021 |
Type of Journal (Indian or Foreign) | Foreign |
Impact Factor (IF) | 1.962 |
Add new comment