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Calculations of H2O microwave line broadening in collisions with He atoms - Sensitivity to potential energy surfacesTheoretical computations of broadening parameters are reported for three microwave lines of H2O in a bath of He atoms. The potential-energy surfaces employed are corrected for basis-set superposition error, and their reliability is checked by repeating the calculations with a different basis set for orbital expansion. The results are presented in extensive tables and discussed in detail. The corrections applied are shown to have a significant impact on the accuracy of the room-temperature broadenings determined: 8.9 sq A for the 22.2-GHz line, 11.8 sq A for the 183,3-GHz line, and 10.0 sq A for the 380.2-GHz line, in good agreement with published experimental data. The importance of collisional broadening for the atmospheric transmission of radiation and for remote-sensing applications is indicated.
Document ID
19910039648
Acquisition Source
Legacy CDMS
Document Type
Reprint (Version printed in journal)
External Source(s)
Authors
Green, Sheldon
(NASA Goddard Institute for Space Studies New York, United States)
Defrees, D. J.
(Molecular Research Institute Palo Alto, CA, United States)
Mclean, A. D.
(IBM Almaden Research Center San Jose, CA, United States)
Date Acquired
August 15, 2013
Publication Date
January 15, 1991
Publication Information
Publication: Journal of Chemical Physics
Volume: 94
ISSN: 0021-9606
Subject Category
Atomic And Molecular Physics
Accession Number
91A24271
Funding Number(s)
CONTRACT_GRANT: NSG-7105
Distribution Limits
Public
Copyright
Other

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