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- W2035542470 endingPage "064112" @default.
- W2035542470 startingPage "064112" @default.
- W2035542470 abstract "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." @default.
- W2035542470 created "2016-06-24" @default.
- W2035542470 creator A5034598918 @default.
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- W2035542470 date "2013-08-14" @default.
- W2035542470 modified "2023-09-30" @default.
- W2035542470 title "Study of interatomic Coulombic decay of Ne(H2O)n (n = 1,3) clusters using equation-of-motion coupled-cluster method" @default.
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- W2035542470 doi "https://doi.org/10.1063/1.4817966" @default.
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