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On the accuracy of the 'decoupled l-dominant' approximation for atom-molecule scatteringCross sections for rotational excitation and spectral pressure broadening of HD, HCl, CO, and HCN due to collisions with low energy He atoms have been computed within the 'decoupled l-dominant' (DLD) approximation and are compared with accurate close coupling results and also with two similar approximations, the effective potential of Rabitz and the coupled states of McGuire and Kouri. DLD predictions of state-to-state cross sections are rather good, being only slightly less accurate than coupled states results. DLD is far superior to either the coupled states or effective potential methods for pressure broadening calculations, although it may not be uniformly of the quantitative accuracy desirable for obtaining intermolecular potentials from experimental data.
Document ID
19760054317
Acquisition Source
Legacy CDMS
Document Type
Reprint (Version printed in journal)
External Source(s)
Authors
Green, S.
(NASA Goddard Institute for Space Studies; Columbia University New York, N.Y., United States)
Date Acquired
August 8, 2013
Publication Date
July 1, 1976
Publication Information
Publication: Journal of Chemical Physics
Volume: 65
Subject Category
Atomic And Molecular Physics
Accession Number
76A37283
Funding Number(s)
CONTRACT_GRANT: NSG-7105
Distribution Limits
Public
Copyright
Other

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