AI Article Synopsis

  • A comprehensive study of electron impact on acetylene was conducted, calculating electronic excitation and total cross sections from 1 eV to 5000 eV, marking the first report of such a wide energy range.
  • Two distinct techniques, the ab initio R-matrix method at lower energies and the spherical complex optical potential method at higher energies, were used, showing consistency at the energy crossover point.
  • The results align well with existing experimental data and theories, and the established techniques can be applied to predict cross sections for other molecules, potentially enriching online databases like the Virtual Atomic and Molecular Data Centre.

Article Abstract

Comprehensive study on electron impact for acetylene molecule is performed in terms of eigenphase diagram, electronic excitation cross sections as well as total cross section calculations from 1 eV to 5000 eV in this article. Computation of cross section over such a wide range of energy is reported for the first time. We have employed two distinct formalisms to derive cross sections in these impact energies. From 1 eV to ionization threshold of the target we have used the ab initio R-matrix method and then spherical complex optical potential method beyond that. At the crossing point of energy, both theories matched quite well and hence prove that they are consistent with each other. The results presented here expectedly give excellent agreement with other experimental values and theories available. The techniques employed here are well established and can be used to predict cross sections for other targets where data are scarce or not available. Also, this methodology may be integrated to online database such as Virtual Atomic and Molecular Data Centre to provide cross section data required by any user.

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Source
http://dx.doi.org/10.1063/1.4711922DOI Listing

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