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A global potential energy surface for ArH2We describe a simple analytic representation of the ArH2 potential energy surface which well reproduces the results of extensive ab initio electronic structure calculations. The analytic representation smoothly interpolates between the dissociated H2 and strong bonding limits. In the fitting process, emphasis is made on accurately reproducing regions of the potential expected to be important for high temperature (ca. 3000 K) collision processes. Overall, the anisotropy and H2 bond length dependence of the analytic representation well reproduce the input data.
Document ID
19930048688
Acquisition Source
Legacy CDMS
Document Type
Reprint (Version printed in journal)
External Source(s)
Authors
Schwenke, David W.
(NASA Ames Research Center Moffett Field, CA, United States)
Walch, Stephen P.
(NASA Ames Research Center Moffett Field, CA, United States)
Taylor, Peter R.
(Eloret Inst. Palo Alto, CA, United States)
Date Acquired
August 16, 2013
Publication Date
March 15, 1993
Publication Information
Publication: Journal of Chemical Physics
Volume: 98
Issue: 6
ISSN: 0021-9606
Subject Category
Atomic And Molecular Physics
Accession Number
93A32685
Funding Number(s)
CONTRACT_GRANT: NCC2-371
CONTRACT_GRANT: NCC2-478
Distribution Limits
Public
Copyright
Other

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