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Record Details

Record 60 of 26244
Semiclassical S-matrix theory of vibrationally inelastic collisions between two diatomic molecules
External Online Source: doi:10.1063/1.1681690
Author and Affiliation:
Cohen, S. C.(NASA Goddard Space Flight Center, Mission Technology Div., Greenbelt, Md., United States)
Alexander, M. H.(Maryland, University, College Park, Md., United States)
Abstract: We derive a semiclassical S matrix for vibrationally inelastic collisions between two diatomic molecules, assuming a collinear geometry. Our theory incorporates a quantum mechanical superposition principle with classical dynamics and, as such, is an extension of the atom-diatomic molecule theory of Miller. The several approximations to the S matrix differ in the complexity with which the interference between various classical trajectories is treated. We report numerical calculations for H2-D2 and D2-D2 collisions based on two different interaction potentials. The cruder approximations yield transition probabilities which agree with exact quantum mechanical results to within a factor of 2. More sophisticated approximations to the S matrix yield excellent quantitative agreement with the quantum calculations.
Publication Date: Nov 15, 1974
Document ID:
19750030844
(Acquired Dec 01, 1995)
Accession Number: 75A14916
Subject Category: ATOMIC AND MOLECULAR PHYSICS
Document Type: Journal Article
Publication Information: Journal of Chemical Physics; 61; Nov. 15
Publisher Information: United States
Financial Sponsor: NASA; United States
Description: 10p; In English
Distribution Limits: Unclassified; Publicly available; Unlimited
Rights: Copyright
NASA Terms: DIATOMIC MOLECULES; INELASTIC COLLISIONS; MOLECULAR COLLISIONS; S MATRIX THEORY; COMPUTER PROGRAMS; FUNCTION SPACE; INTEGRAL EQUATIONS; QUANTUM MECHANICS; SUPERPOSITION (MATHEMATICS); TRANSITION PROBABILITIES
Imprint And Other Notes: Journal of Chemical Physics, vol. 61, Nov. 15, 1974, p. 3967-3976. Research supported by the Petroleum Research Fund and University of Maryland.
Miscellaneous Notes: 1974, p. 3967-3976. Research supported by the Petroleum Research Fund and University of Maryland
Availability Source: Other Sources
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