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The dissociation energy of He2(+)Ab initio potential energy curves for He2(+) are computed using full CI wavefunctions in conjuction with large Gaussian and Slater basis sets. The computed curves yield rotational-vibrational transitions with errors of less than 1/cm. They also yield quasi-bound levels with energies and lifetimes in reasonable agreement with translational spectroscopy measurements. The best D(e) is estimated to be 2.470 eV. Green's function Monte Carlo calculations yield a very similar value, 2.466 + or - 0.005.
Document ID
19900034745
Acquisition Source
Legacy CDMS
Document Type
Reprint (Version printed in journal)
Authors
Bauschlicher, Charles W., Jr.
(NASA Ames Research Center Moffett Field, CA, United States)
Partridge, Harry
(NASA Ames Research Center Moffett Field, CA, United States)
Ceperley, David
(Illinois, University Champaign, United States)
Date Acquired
August 14, 2013
Publication Date
August 4, 1989
Publication Information
Publication: Chemical Physics Letters
Volume: 160
ISSN: 0009-2614
Subject Category
Atomic And Molecular Physics
Accession Number
90A21800
Distribution Limits
Public
Copyright
Other

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