TY - JOUR
T1 - Potential surface crossing in classical trajectory calculations
T2 - Application to collision-induced predissociation in electronically excited I2
AU - Garetz, B.
AU - Rubinson, M.
AU - Steinfeld, J. I.
PY - 1974/9/1
Y1 - 1974/9/1
N2 - Classical trajectory calculations of inelastic collisions involving electronically excited iodine molecules with rare-gas atoms have been extended to include the effects of potential surface crossing. Adiabatic potential surfaces were generated assuming an r-6 dependence of the energy splitting on the molecule-atom distance. Nonadiabatic transition probabilities were calculated using the Landau-Zener formula. The reduced-mass and final-state dependence of the calculated induced predissociation probabilities are in good agreement both with experiment and with earlier optical-model calculations.
AB - Classical trajectory calculations of inelastic collisions involving electronically excited iodine molecules with rare-gas atoms have been extended to include the effects of potential surface crossing. Adiabatic potential surfaces were generated assuming an r-6 dependence of the energy splitting on the molecule-atom distance. Nonadiabatic transition probabilities were calculated using the Landau-Zener formula. The reduced-mass and final-state dependence of the calculated induced predissociation probabilities are in good agreement both with experiment and with earlier optical-model calculations.
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U2 - 10.1016/0009-2614(74)80031-X
DO - 10.1016/0009-2614(74)80031-X
M3 - Article
AN - SCOPUS:49549157215
SN - 0009-2614
VL - 28
SP - 120
EP - 124
JO - Chemical Physics Letters
JF - Chemical Physics Letters
IS - 1
ER -