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Fragmentation dynamics of ne-3(+) clusters: a classical trajectory study

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Sebastianelli, F
Gianturco, F. A.

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English

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A new, ab initio potential energy surface for the ionic neon trimer [12] is adopted for the study the low and intermediate energy fragmentation dynamics of the Ne+3 system. The process is initiated from three of the most stable trimer structures and a very large number of classical trajectory calculations is employed to extract various fragmentation dynamics indicators. The system is found to eject one neon atom on a very fast time scale of ∼0.15 ps, a process that leaves behind an excited ionic dimer, which in turn undergoes full dissociation on a larger time scale.

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Computational Materials Science

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Materials science

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