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The electronic ground states of alkali monoxides

✍ Scribed by S.P. So; W.G. Richards

Publisher: Elsevier Science
Year: 1975
Tongue: English
Weight: 452 KB
Volume: 32
Category: Article
ISSN: 0009-2614
DOI: 10.1016/0009-2614(75)85109-8

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✦ Synopsis

Ab initio HartreerFock

calculations have been perfonncd on the ground and on.the frost excited states of NaO, KO and RbO. It is found that the former and thr -'atter two molecules, though valence-isoelectronic, have tiei-first two loui-lying cle&onic states in reversed order. Quantitative evidence for the different bonding schemes used to explain this has been @en.

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