Collinear Collisions of an Atom and Harmonic Oscillator
- 1 May 1971
- journal article
- research article
- Published by AIP Publishing in The Journal of Chemical Physics
- Vol. 54 (9) , 3885-3897
- https://doi.org/10.1063/1.1675442
Abstract
A comparison is made between quantum, semiclassical, and classical treatments of collinear collisions, with exponential repulsive potential, between an atom and a harmonic oscillator. The quantum calculations used for comparison are those of Secrest and Johnson. The semiclassical treatment, which we call ITFITS, gives analytic transition probabilities in the form of a quantum forced oscillator whose energy transfer is determined separately for each combination of initial and final states by a “refined impulsive” classical approximation symmetrized over initial and final states. Detailed balance is obeyed. The classical treatment is phase averaged, the energy transfer, calculated by numerical integration of the equations of motion, being averaged over the initial phase of the oscillator. The quantum transition probabilities are very well matched for both single and multiple quantum jumps by the semiclassical ITFITS approximation. The quantum average energy transfer is closely approximated both by the semiclassical and classical treatments. We conclude that, over the range of the quantum data, a semiclassical analysis is quite reasonable for transition probabilities and that both semiclassical and classical treatments give an essentially accurate description of average energy partitioning.Keywords
This publication has 9 references indexed in Scilit:
- Refined Impulse Approximation for the Collisional Excitation of the Classical Anharmonic OscillatorThe Journal of Chemical Physics, 1970
- Calculation of Transition Probabilities for Collinear Atom–Diatom and Diatom–Diatom Collisions with Lennard-Jones InteractionThe Journal of Chemical Physics, 1970
- Molecular Dynamics of Photodissociation: Quasidiatomic Model for ICNThe Journal of Chemical Physics, 1970
- Quantum Vibrational Transition Probabilities in Atom–Diatomic Molecule Collisions. II Linear and Multistep Intermolecular PotentialsThe Journal of Chemical Physics, 1969
- Classical Calculations of Linear Reactive Systems: H+Cl2→HCl+ClThe Journal of Chemical Physics, 1969
- Linear Collision of a Classical Harmonic Oscillator with a Particle at High EnergiesThe Journal of Chemical Physics, 1969
- Theory of vibrational energy transfer between simple molecules in nonreactive collisionsChemical Reviews, 1969
- Exact Quantum-Mechanical Calculation of a Collinear Collision of a Particle with a Harmonic OscillatorThe Journal of Chemical Physics, 1966
- Comparison of Approximate Translational—Vibrational Energy-Transfer Formulas with Exact Classical CalculationsThe Journal of Chemical Physics, 1966