Article ID | Journal | Published Year | Pages | File Type |
---|---|---|---|---|
1564238 | Computational Materials Science | 2006 | 6 Pages |
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 Ne3+ 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 â¼0.15Â 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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Authors
E. Yurtsever, F. Sebastianelli, F.A. Gianturco,