01566nas a2200169   4500008004100000022001400041245012000055210006900175260012500244300002300369490000800392520082000400100001701220700001601237700001801253856012501271       2013                        eng d  a0021-960600aStudy of interatomic coulombic decay of Ne(H2O)(n) (n=1,3) clusters using equation-of-motion coupled-cluster method0 aStudy of interatomic coulombic decay of NeH2On n13 clusters usin  aCIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USAbAMER INST PHYSICScAUG  aArticle No. 0641120 v1393 a<p>Interatomic Coulombic decay (ICD) is an efficient and ultrafast radiationless decay mechanism which can be initiated by removal of an electron from the inner-valence shell of an atom or molecule. Generally, the ICD mechanism is prevailed in weakly bound clusters. A very promising approach, known as CAP/EOM-CC, consists of the combination of complex absorbing potential (CAP) with the equation-of-motion coupled-cluster (EOM-CC) method, is applied for the first time to study the nature of the ICD mechanism. We have applied this technique to determine the lifetime of an auto-ionized, inner-valence excited state of the NeH2O, Ne(H2O)(2), and Ne(H2O)(3) systems. The lifetime is found to be very short and decreases significantly with the number of neighboring water molecules. (C) 2013 AIP Publishing LLC.</p>1 aGhosh, Aryya1 aPal, Sourav1 aVaval, Nayana  uhttps://library.ncl.res.in/content/study-interatomic-coulombic-decay-neh2on-n13-clusters-using-equation-motion-coupled-0