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On the electron affinity of Be2Calculations of the electron affinity (EA) of Be2 using a large Slater-type orbital basis set and extensive correlation based upon a CASSCF reference are reported. The adiabatic EAs are estimated to be 0.44 eV for the 2Sigma sub g(+) state and 0.56 eV for the 2Pi sub u state. The extra electron attaches into an empty bonding orbital, causing a shortening of the bond length and an increase in omega(e). The D(e) of the 2Pi sub u state of Be2 is six times as large as the D(e) of Be2.
Document ID
19840037522
Acquisition Source
Legacy CDMS
Document Type
Reprint (Version printed in journal)
External Source(s)
Authors
Bauschlicher, C. W., Jr.
(NASA Ames Research Center Moffett Field, CA, United States)
Partridge, H.
(Southern California, University Los Angeles, CA, United States)
Date Acquired
August 12, 2013
Publication Date
January 1, 1984
Publication Information
Publication: Journal of Chemical Physics
Volume: 80
ISSN: 0021-9606
Subject Category
Atomic And Molecular Physics
Accession Number
84A20309
Distribution Limits
Public
Copyright
Other

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