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The 2Sigma(+)-2Pi separation in KOThe 2Sigma(+)-2Pi separation in KO is investigated using large basis sets and high levels of correlation treatment. Relativistic effects are included at the Dirac-Fock level and reduce the separation only slightly. The basis set superposition error is considered in detail. On the basis of these calculations, our best estimate places the 2Pi3/2 state about 200/cm above the ground 2Sigma(+) state, in agreement with our previous estimate.
Document ID
19930060530
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)
Dyall, Kenneth G.
(NASA Ames Research Center Moffett Field; Eloret Inst., Palo Alto, CA, United States)
Date Acquired
August 16, 2013
Publication Date
November 6, 1992
Publication Information
Publication: Chemical Physics Letters
Volume: 199
Issue: 4-Mar
ISSN: 0009-2614
Subject Category
Atomic And Molecular Physics
Accession Number
93A44527
Funding Number(s)
CONTRACT_GRANT: NCC2-552
Distribution Limits
Public
Copyright
Other

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