AUTODETACHMENT LIFETIMES OF SMALL DIANIONS

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2000

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Ohio State University

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Almost all small dianions known from condensed phases are unstable with respect to electron autodetachment in the gas phase. These dianions show rare-gas-like closed-shell electronic ground states and represent a new type of metastable system. Here we discus the ab initio calculation of energies and lifetimes of temporary closed-shell systems. Some methodological issues are briefly discussed, in particular, there is no ``natural'' choice of orbital set for metastable closed-shell males and therefore no unique one-particle level. Applications to $O^{2-}$, $C_{2}^{2-}$, $CN_{2}^{2-}$, and, $CO_{3}^{2-}$ are presented.

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Author Institution: Theoretische Chemie, Universit\""{a}t Heidelberg; Dipartimento di Chimica, Universit\`{a} di Perugia

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