AUTODETACHMENT LIFETIMES OF SMALL DIANIONS
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Date
2000
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Publisher
Ohio State University
Abstract
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.
Description
Author Institution: Theoretische Chemie, Universit\""{a}t Heidelberg; Dipartimento di Chimica, Universit\`{a} di Perugia