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A nearly exact MCSCF+CI calculation of the dissociation energy of OHThe dissociation energy and dipole moment of the ground state of OH have been obtained with a newly developed multiconfiguration, self-consistent field plus configuration interaction CDC 7600 computer program. The computed value of the dissociation energy is 4.62 eV, which is within the uncertainty limits for the experimental value of 4.63 plus or minus 0.01 eV. The computed value of the dipole moment is 1.645 D, which is very close to the experimental result of 1.66 plus or minus 0.01 D. The present results are also compared to the data obtained from similar calculations with the BISON-MC computer program developed by Das and Wahl.
Document ID
19760046037
Acquisition Source
Legacy CDMS
Document Type
Reprint (Version printed in journal)
External Source(s)
Authors
Arnold, J. O.
(NASA Ames Research Center Moffett Field, CA, United States)
Whiting, E. E.
(NASA Ames Research Center Moffett Field, CA, United States)
Sharbaugh, L. F.
(NASA Ames Research Center Moffett Field, Calif., United States)
Date Acquired
August 8, 2013
Publication Date
April 15, 1976
Publication Information
Publication: Journal of Chemical Physics
Volume: 64
Subject Category
Inorganic And Physical Chemistry
Accession Number
76A29003
Distribution Limits
Public
Copyright
Other

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