TY - JOUR
T1 - Molecular vibrational state distributions in collisions
AU - Morales, Jorge A.
AU - Diz, Agustín C.
AU - Deumens, Erik
AU - Öhrn, Yngve
N1 - Funding Information:
This work was supported by a grant from the Office of Naval Research. We thank Benny J. Mo-gensen for providing us with the program to compute vibrational levels using Meyer’s approach.
PY - 1995/2/17
Y1 - 1995/2/17
N2 - 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.
AB - 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.
UR - http://www.scopus.com/inward/record.url?scp=3943085998&partnerID=8YFLogxK
U2 - 10.1016/0009-2614(94)01472-8
DO - 10.1016/0009-2614(94)01472-8
M3 - Article
AN - SCOPUS:3943085998
SN - 0009-2614
VL - 233
SP - 392
EP - 398
JO - Chemical Physics Letters
JF - Chemical Physics Letters
IS - 4
ER -