Collinear collision of an atom with a homonuclear diatomic molecule
The problem of collinear scattering of an atom from a homonuclear diatomic molecule is formulated in terms of a first-order nonlinear matrix differential equation for the variable coefficient of reflection. For a homonuclear molecule when the target Hamiltonian is invariant under the parity transformation, only transitions between even states or odd states are possible. This selection rule reduces the number of open or closed channels that contribute to the reflection and transmission coefficients. But for numerical calculation, under the conditions of the problem, one can approximate the target Hamiltonian by the Hamiltonian of a displaced harmonic oscillator. In this approximation, the reflctional symmetry of the Hamiltonian is not preserved, and transitions between any two levels of the target are possible. To simplify the problem further, the interaction between the projectile and many-channel interaction can be expressed analytically. By fitting the Lennard-Jones potential with a sum of two Gaussian potentials and solving the matrix differential equation, transition probabilities are obtained for the He-H/sub 2/ collision. The numerical results are compared with the results found by Secrest and Johnson, and by Clark and Dickinson. 4 tables.
- Research Organization:
- Univ. of Alberta, Edmonton
- OSTI ID:
- 6635548
- Journal Information:
- Int. J. Quant. Chem.; (United States), Journal Name: Int. J. Quant. Chem.; (United States) Vol. 16:6; ISSN IJQCB
- Country of Publication:
- United States
- Language:
- English
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Related Subjects
Molecular & Chemical Physics-- Collision Phenomena
74 ATOMIC AND MOLECULAR PHYSICS
ANHARMONIC OSCILLATORS
ATOM COLLISIONS
ATOM-MOLECULE COLLISIONS
COLLISIONS
DATA
DIFFERENTIAL EQUATIONS
ELECTRONIC EQUIPMENT
ELEMENTS
ENERGY-LEVEL TRANSITIONS
EQUATIONS
EQUIPMENT
EXCITATION
FLUIDS
GASES
HARMONIC OSCILLATOR MODELS
HELIUM
HYDROGEN
INELASTIC SCATTERING
INFORMATION
LENNARD-JONES POTENTIAL
MATHEMATICAL MODELS
MATRIX ELEMENTS
MOLECULE COLLISIONS
NONLINEAR PROBLEMS
NONMETALS
NUMERICAL DATA
OSCILLATORS
PARTIAL DIFFERENTIAL EQUATIONS
POTENTIALS
PROBABILITY
RARE GASES
SCATTERING
SELECTION RULES
THEORETICAL DATA
WAVE EQUATIONS