Ionic excited states of Ne2F
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Charles F. Bender; Henry F. Schaefer III
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Article
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1978
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Elsevier Science
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English
β 771 KB
Ab initio molecular electronic structure theory has been applied to the r.ine lowest potential energy surfaces of NezF. A valence double zeta basis set was used in conjunction ti,th first-order configuration interaction wavefunctions. In analogy with the results of Wadt and Hay for Ar2 F, the 2 2B2