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Electron affinities of the alkali dimers - Na2, K2, and Rb2Ab initio calculations on the ground states of the alkali dimers, Na2, K2, and Rb2, and their anions are reported. The calculations employ large Gaussian basis sets and account for nearly all of the valence correlation energy. The calculated atomic electron affinities are within 0.02 eV of experiment and the calculated adiabatic electron affinities for Na2, K2, and Rb2 are, respectively, 0.470, 0.512, and 0.513 eV.
Document ID
19830061417
Acquisition Source
Legacy CDMS
Document Type
Reprint (Version printed in journal)
External Source(s)
Authors
Partridge, H.
(Southern California, University Los Angeles, CA, United States)
Dixon, D. A.
(Minnesota, University Minneapolis, MN, United States)
Walch, S. P.
(Polyatomics Research Institute Mountain View, CA, United States)
Bauschlicher, C. W., Jr.
(NASA Ames Research Center Moffett Field, CA, United States)
Gole, J. L.
(Georgia Institute of Technology Atlanta, GA, United States)
Date Acquired
August 11, 2013
Publication Date
August 15, 1983
Publication Information
Publication: Journal of Chemical Physics
Volume: 79
ISSN: 0021-9606
Subject Category
Atomic And Molecular Physics
Accession Number
83A42635
Funding Number(s)
CONTRACT_GRANT: NSF CHE-79-09075
CONTRACT_GRANT: NCC2-148
CONTRACT_GRANT: NSF CHE-79-05985
CONTRACT_GRANT: NAG2-77
Distribution Limits
Public
Copyright
Other

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