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The 2Σ+−2Π separation in KO

✍ Scribed by Charles W. Bauschlicher Jr.; Harry Partridge; Kenneth G. Dyall

Publisher
Elsevier Science
Year
1992
Tongue
English
Weight
373 KB
Volume
199
Category
Article
ISSN
0009-2614

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✦ Synopsis

The 'E+-*II 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 zII,,2 state about 200 cm-' above the ground %+ state in agreement with our previous estimate.

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