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Rovibrational Excitation by Electron Impact

  • Helmar T. Thümmel
  • Thomas Grimm-Bosbach
  • Robert K. Nesbet
  • Sigrid D. Peyerimhoff

Abstract

This chapter covers theoretical methods for rotational and vibrational coupling in electron-molecule scattering in the region where non-adiabatic effects are important. So far, they have been applied only to diatomic molecules, but should be applicable for polyatomic molecules as well. Here we assume that the fixed-nuclei electronic R-matrix is already determined over a grid of energy and nuclear coordinates using the methods described in other chapters. The problem considered here is the computation of rovibronic scattering cross sections from the fixed-nuclei electronic R-matrix. Note that rovibronic coupling inherently involves a breakdown of the Born-Oppenheimer separation whenever electronic kinetic energy is converted into vibrational or rotational energy. The treatment of ro-vibronic motion in the R-matrix formulation can be separated into two steps: (1) how to deduce the ro-vibronic R-matrix from the fixed-nuclei electronic R-matrix determined at some electronic radius r 1 where the molecular charge density is negligible and (2) how to propagate the resulting ro-vibronic R-matrix to determine the cross sections.

Keywords

Differential Cross Section Partial Wave Vibrational Excitation Integrate Cross Section Dipole Potential 
These keywords were added by machine and not by the authors. This process is experimental and the keywords may be updated as the learning algorithm improves.

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Copyright information

© Springer Science+Business Media New York 1995

Authors and Affiliations

  • Helmar T. Thümmel
    • 1
    • 2
  • Thomas Grimm-Bosbach
    • 1
  • Robert K. Nesbet
    • 3
  • Sigrid D. Peyerimhoff
    • 1
  1. 1.Institut für physikalische und theoretische ChemieUniversität BonnBonnGermany
  2. 2.NASA Ames Research CenterMoffett FieldUSA
  3. 3.IBM Almaden Research CenterSan JoséUSA

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