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- W2074231010 abstract "We performed nuclear dynamics calculations on HCN and DCN to study the isotope effect in dissociative electron attachment. Our previous calculations at 333 K led to a ratio ${ensuremath{sigma}}^{({mathrm{CN}}^{ensuremath{-}}/mathrm{HCN})}/{ensuremath{sigma}}^{({mathrm{CN}}^{ensuremath{-}}/mathrm{DCN})}$ of about 13, which is significantly higher than recent experimental findings. This discrepancy is attributed to the neglect of correlation and polarization effects in the scattering calculation performed. We carried out a relaxed--self-consistent field calculation to determine the variation of the resonance parameters under these effects. We observe a shift in the positions of the shape resonance as well as a narrowing of the autoionization widths resulting in an isotope ratio of 3.2 at $T=333$ K; in closer agreement with the measured value." @default.
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- W2074231010 date "2011-03-14" @default.
- W2074231010 modified "2023-09-27" @default.
- W2074231010 title "Isotope effect in dissociative electron attachment to HCN" @default.
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- W2074231010 doi "https://doi.org/10.1103/physreva.83.032709" @default.
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