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DISSOCIATION OF GASEOUS DIATOMIC MOLECULES: CLASSICAL ADIABATIC SCATTERING APPROACH

Journal Article · · Journal of Chemical Physics (U.S.)
DOI:https://doi.org/10.1063/1.1732626· OSTI ID:4808387

The classical Liouville equation of a three-body system consisting of a harmonic oscillator and a free particle is resolved by an adiabatic approximation procedure based on the assumption that the collision time is much larger than the period of vibration of the oscillator. An integral formalism developed from the Liouville equation is used, and strong interactions can be treated. Numerical calculations of the rate of dissociation of homonuclear diatomic molecules are in good agreement with experimental results over large temperature ranges. The Lennard-Jones 6-l2 potential is used, and comparisons between one and threedimensional calculations are made. (auth)

Research Organization:
Universite Libre, Brussels
Sponsoring Organization:
USDOE
NSA Number:
NSA-16-011625
OSTI ID:
4808387
Journal Information:
Journal of Chemical Physics (U.S.), Journal Name: Journal of Chemical Physics (U.S.) Vol. Vol: 36; ISSN JCPSA
Country of Publication:
Country unknown/Code not available
Language:
English

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