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Interatomic Coulombic decay in Neon–Helium cluster: a complex absorbing potential based equation-of-motion coupled cluster investigation
Nayana Vaval,
Published in Taylor and Francis Ltd.
2021
Volume: 119
   
Issue: 9
Abstract
The interatomic Coulombic decay (ICD) of the (Formula presented.) and (Formula presented.) 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 (Formula presented.) 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 {\AA}. The decay channel for the double ionised (Formula presented.) state is open at 3.46 {\AA}. From our calculations, we have noticed that the decay rate of (Formula presented.) state in neon–helium dimer is four times faster compared to the (Formula presented.) state. We have also investigated how the decay rate of (Formula presented.) state in neon–helium cluster varies in the presence of different helium environment.
About the journal
JournalData powered by TypesetMolecular Physics
PublisherData powered by TypesetTaylor and Francis Ltd.
ISSN13623028
Open AccessNo