A diatomics-in-molecules model for singly-ionized argon clusters
作者： J. He�lich , P. J. Kuntz
DOI: 10.1007/BF01429082
关键词: Atomic physics 、 Diatomic molecule 、 Ion 、 Molecule 、 Ionization 、 Ab initio quantum chemistry methods 、 Inorganic compound 、 Interaction energy 、 Physics 、 Ab initio
摘要: A DIM model using ab initio input for the diatomic interactions predicts a collinear bound Ar3+ molecule (in agreement with calculations) and stable clusters Arn+ consisting of an ion embedded in (n−3) neutral atoms. These results support existing theories that dynamical size selection may be more relevant interpreting experimental than relative stabilities their minimum energy configurations.
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