Molecular vibrational state distributions in collisions

Jorge A. Morales, Agustín C. Diz, Erik Deumens, Yngve Öhrn

Research output: Contribution to journalArticlepeer-review

32 Scopus citations

Abstract

Experimental vibrational spectra of H2 in the collision with a proton at 30 eV in the laboratory frame are compared to results from calculations using the electron nuclear dynamics. Nuclei are treated classically. Interpreting the classical vibration in terms of a coherent state yields quantum vibrational levels reproducing the experimental results. This result indicates that collision dynamics, including vibrational excitation, does not require numerical-grid wave packet dynamics for an understanding of the fundamental mechanisms involved, but that the concept of coherent state can provide a simple and accurate method to resolve product vibrational states from fully dynamical classical trajectories.

Original languageEnglish
Pages (from-to)392-398
Number of pages7
JournalChemical Physics Letters
Volume233
Issue number4
DOIs
StatePublished - Feb 17 1995

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