Semiclassical calculation for collision induced dissociation. II. Morse oscillator model
Creators
- 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
- DOI
- 10.1063/1.435803;
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
- Updated automatically by Metadata and Full-Text Enrichment Agent