Publication: Fragmentation dynamics of ne-3(+) clusters: a classical trajectory study
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KU-Authors
KU Authors
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Sebastianelli, F
Gianturco, F. A.
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Language
English
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Abstract
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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Source:
Computational Materials Science
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Subject
Materials science