@article {47073,
	title = {Interatomic Coulombic decay in Neon-Helium cluster: a complex absorbing potential based equation-of-motion coupled cluster investigation},
	journal = {Molecular Physics},
	volume = {119},
	year = {2021},
	month = {MAY},
	pages = {e1884300},
	type = {Article},
	abstract = {<p>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] .</p>
},
	keywords = {double ionised state, equation-of-motion coupled cluster (EOMCC), He droplet, interatomic Coulombic decay (ICD)},
	issn = {0026-8976},
	doi = {10.1080/00268976.2021.1884300, Early Access Date = FEB 2021},
	author = {Ghosh, Aryya and Pal, Sourav and Vaval, Nayana}
}
