01653nas a2200217   4500008004100000022001400041245014100055210006900196260000800265300001300273490000800286520083500294653002501129653004701154653001501201653003801216100001701254700001601271700001801287856013001305       2021                        eng d  a0026-897600aInteratomic Coulombic decay in Neon-Helium cluster: a complex absorbing potential based equation-of-motion coupled cluster investigation0 aInteratomic Coulombic decay in NeonHelium cluster a complex abso  cMAY  ae18843000 v1193 a<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>
10adouble ionised state10aequation-of-motion coupled cluster (EOMCC)10aHe droplet10ainteratomic Coulombic decay (ICD)1 aGhosh, Aryya1 aPal, Sourav1 aVaval, Nayana  uhttps://library.ncl.res.in/content/interatomic-coulombic-decay-neon-helium-cluster-complex-absorbing-potential-based-equation