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Theory of radiative electron attachment to molecules: Benchmark study of CN

Nicolas Douguet, Samantha Fonseca dos Santos, Maurice Raoult, Olivier Dulieu, Ann E. Orel, and Viatcheslav Kokoouline
Phys. Rev. A 88, 052710 – Published 25 November 2013

Abstract

We have developed an approach based on first principles to study the process of radiative electron attachment (REA) to linear molecules of astrophysical interest in collisions between the molecules and electrons at energies below 1 eV. The approach is based on accurate ab initio calculations of electronic bound and continuum states of the negative ion. The electronic continuum states are obtained with the complex-Kohn variational method. The benchmark calculation for the REA to the simplest negative ion CN, which was recently observed in the interstellar medium, has produced a relatively low rate coefficient α(T)=7.3×1016 cm3/s at T=30 K. Moreover, our results are shown to agree well with microscopic reversibility applied on a recent photodetachment experiment on CN. Finally, the study confirms a previous assessment that the CN ion is unlikely be formed by REA in the interstellar medium.

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  • Received 18 September 2013
  • Corrected 3 December 2013

DOI:https://doi.org/10.1103/PhysRevA.88.052710

©2013 American Physical Society

Corrections

3 December 2013

Erratum

Publisher's Note: Theory of radiative electron attachment to molecules: Benchmark study of CN [Phys. Rev. A 88, 052710 (2013)]

Nicolas Douguet, Samantha Fonseca dos Santos, Maurice Raoult, Olivier Dulieu, Ann E. Orel, and Viatcheslav Kokoouline
Phys. Rev. A 88, 069904 (2013)

Authors & Affiliations

Nicolas Douguet1, Samantha Fonseca dos Santos1, Maurice Raoult2, Olivier Dulieu2, Ann E. Orel1, and Viatcheslav Kokoouline3

  • 1Department of Chemical Engineering and Materials Science, University of California, Davis, California 95616, USA
  • 2Laboratoire Aimé Cotton, CNRS/Université Paris-Sud/ENS-Cachan, Bât. 505, Campus d’Orsay, 91405 Orsay Cedex, France
  • 3Department of Physics, University of Central Florida, Orlando, Florida 32816, USA

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Issue

Vol. 88, Iss. 5 — November 2013

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