Published February 1, 1978 | Version v1
Journal article

Semiclassical calculation for collision induced dissociation. II. Morse oscillator model

  • 1. Chemistry Department, Indiana University, Bloomington, Indiana

Description

A recently developed semiclassical procedure for calculating collision induced dissociation probabilities P/sup diss/ is applied to the collinear collision between a particle and a Morse oscillator diatomic. The particle--diatom interaction is described with a repulsive exponential potential function. P/sup diss/ is reported for a system of three identical particles, as a function of collision energy E/sub t/ and initial vibrational state of the diatomic n1. The results are compared with the previously reported values for the collision between a particle and a truncated harmonic oscillator. The two studies show similar features, namely: (a) there is an oscillatory structure in the P/sup diss/ energy profiles, which is directly related to n1; (b) P/sup diss/ becomes noticeable (> or approx. =10-3) for E/sub t/ values appreciably higher than the energetic threshold; (c) vibrational enhancement (inhibition) of collision induced dissociation persists at low (high) energies; and (d) good agreement between the classical and semiclassical results is found above the classical dynamic threshold. Finally, the convergence of P/sup diss/ for increasing box length is shown to be rapid and satisfactory

Additional details

Identifiers

Publishing Information

Journal Title
The Journal of Chemical Physics
Journal Volume
68
Journal Issue
3
Series
J. Chem. Phys.
Journal Page Range
1147-1152
ISSN
0021-9606

INIS

Country of Publication
United States
Country of Input or Organization
United States
INIS RN
9387362
Subject category
S74: ATOMIC AND MOLECULAR PHYSICS;
Descriptors DEI
ATOM-MOLECULE COLLISIONS; DISSOCIATION; MORSE POTENTIAL; SEMICLASSICAL APPROXIMATION; VIBRATIONAL STATES
Descriptors DEC
ATOM COLLISIONS; COLLISIONS; ENERGY LEVELS; EXCITED STATES; MOLECULE COLLISIONS

Optional Information

Notes
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