Classical trajectory and adiabatic channel study of the transition from adiabatic to sudden capture dynamics. I. Ion–dipole capture
Classical trajectory calculations of ion–permanent+induced dipole capture processes are performed over very wide ranges of conditions. The results are represented in a simple, two-parametric analytical form of high precision. The transition from adiabatic to nonadiabatic dynamics is expressed in ter...
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Veröffentlicht in: | The Journal of chemical physics 1996-10, Vol.105 (15), p.6263-6269 |
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Hauptverfasser: | , , , |
Format: | Artikel |
Sprache: | eng |
Online-Zugang: | Volltext |
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Zusammenfassung: | Classical trajectory calculations of ion–permanent+induced dipole capture processes are performed over very wide ranges of conditions. The results are represented in a simple, two-parametric analytical form of high precision. The transition from adiabatic to nonadiabatic dynamics is expressed in terms of the Massey parameter. In the adiabatic range, perfect agreement (better than 0.4%) of the derived thermal capture rate constants from classical trajectories and results from accurate statistical adiabatic channel (SACM) calculations is obtained. |
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ISSN: | 0021-9606 1089-7690 |
DOI: | 10.1063/1.472480 |