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- W2067950847 abstract "Potential-energy curves of various electronic states of ${mathrm{CO}}^{2+}$ and ${mathrm{CO}}^{+}$ are computed using all-electron ab initio molecular-orbital methods. Configuration-interaction effects are treated by perturbative techniques (using Moller-Plesset perturbation theory to fourth order) and by variational methods (using the coupled-cluster approach). In the case of ${mathrm{CO}}^{2+}$, calculations indicate that the lowest-energy $^{3}mathrm{ensuremath{Pi}}$ and $^{1}mathrm{ensuremath{Sigma}}^{+}$ states are nearly degenerate in the Franck-Condon region but that only the latter is likely to be metastable; the former is expected to predissociate rapidly due to a curve crossing with a purely repulsive $^{3}mathrm{ensuremath{Sigma}}^{mathrm{ensuremath{-}}}$ state. Experimental measurements have been carried out on the kinetic energy released when metastable ${mathrm{CO}}^{2+}$ ions dissociate by a tunneling mechanism, using an ion-translational-energy spectrometer. The kinetic-energy spectra are measured of fragment ions produced when ${mathrm{CO}}^{2+}$ dissociates via an intermediate highly excited (dissociative) ${mathrm{CO}}^{+mathrm{*}}$ state populated in an electron-capture reaction in collision with He. The experimental results remain difficult to interpret within the framework of the computed potential-energy curves." @default.
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- W2067950847 date "1991-11-01" @default.
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- W2067950847 title "Probing the quantal identity of low-lying electronic states of<mml:math xmlns:mml=http://www.w3.org/1998/Math/MathML display=inline><mml:mrow><mml:msup><mml:mrow><mml:mi mathvariant=normal>CO</mml:mi></mml:mrow><mml:mrow><mml:mn>2</mml:mn><mml:mo>+</mml:mo></mml:mrow></mml:msup></mml:mrow></mml:math>by quantum-chemical calculations and ion-translational-energy spectrometry" @default.
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- W2067950847 doi "https://doi.org/10.1103/physreva.44.5460" @default.
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