Computational Methods for Electron—Molecule Collisions

1. Front Matter

   Pages i-xvi

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2. The Complex Kohn Variational Method

   1. The Complex Kohn Variational Method

      • T. N. Rescigno, C. W. McCurdy, A. E. Orel, B. H. Lengsfield III

      Pages 1-44

3. The Linear Algebraic Method

   1. The Linear Algebraic Method for Electron-Molecule Collisions

      • Lee A. Collins, Barry I. Schneider

      Pages 45-58

4. The Multichannel Quantum Defect Method

   1. Analysis of Dissociative Recombination of Electrons with ArXe+ using ArXe* Calculations

      • A. P. Hickman, D. L. Huestis, R. P. Saxon

      Pages 59-73

5. Method Based on Single-Center Expansion of the Target

   1. Electron-Scattering from Polyatomic Molecules Using a Single-Center-Expansion Formulation

      • F. A. Gianturco, D. G. Thompson, A. Jain

      Pages 75-118

   2. A Study of the Porting on Simd and Mimd Machines of a Single Centre Expansion Code to Treat Electron Scattering from Polyatomic Molecules

      • F. A. Gianturco, N. Sanna, R. Sarno

      Pages 119-130

6. Rotational and Vibrational Close Coupling

   1. How to Calculate Rotational and Vibrational Cross Sections for Low-Energy Electron Scattering from Diatomic Molecules using Close-Coupling Techniques

      • Michael A. Morrison, Weiguo Sun

      Pages 131-190

7. The Partial Differential Equation Method

   1. The (Non-Iterative) Partial Differential Equation Method: Application to Electron-Molecule Scattering

      • A. Temkin, C. A. Weatherford

      Pages 191-212

8. The R-Matrix Method

   1. An R-Matrix Approach to Electron-Molecule Collisions

      • Barry I. Schneider

      Pages 213-226

   2. Non-Adiabatic Effects in Vibrational Excitation and Dissociative Recombination

      • Lesley A. Morgan

      Pages 227-237

   3. The UK Molecular R-Matrix Scattering Package: a Computational Perspective

      • Charles J. Gillan, Jonathan Tennyson, Philip G. Burke

      Pages 239-254

   4. Electron Collisions with the \( He_2^ + \) Cation

      • Brendan M. McLaughlin, Charles J. Gillan

      Pages 255-263

   5. Rovibrational Excitation by Electron Impact

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

      Pages 265-291

   6. Tailoring the R-Matrix Approach for Application to Polyatomic Molecules

      • Kurt Pfingst, Bernd M. Nestmann, Sigrid D. Peyerimhoff

      Pages 293-308

   7. R-Matrix Techniques for Intermediate Energy Scattering and Photoionization

      • C. J. Noble

      Pages 309-326

9. The Schwinger Variational Method

   1. The Schwinger Variational Method

      • Winifred M. Huo

      Pages 327-355

10. Back Matter

    Pages 357-364

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The collision of electrons with molecules and molecular ions is a fundamental pro­ cess in atomic and molecular physics and in chemistry. At high incident electron en­ ergies, electron-molecule collisions are used to deduce molecular geometries, oscillator strengths for optically allowed transitions, and in the case of electron-impact ionization, to probe the momentum distribution of the molecule itself. When the incident electron energy is comparable to or below those of the molecular valence electrons, the physics involved is particularly rich. Correlation and exchange effects necessary to describe such collision processes bear a close resemblance to similar efft:cts in the theory of electronic structure in molecules. Compound state formations, in the form of resonances and vir­ tual states, manifest themselves in experimental observables which provide details of the electron-molecule interactions. Ro-vibrational excitations by low-energy electron collisions exemplify energy transfer between the electronic and nuclear motion. The role of nonadiabatic interaction is raised here. When the final vibrational state is in the continuum, molecular dissociation occurs. Dissociative recombination and dissociative attachment are examples of such fragmentation processes. In addition to its fundamental nature, the study of electron-molecule collisions is also motivated by its relation to other fields of study and by its technological appli­ cations. The study of planetary atmospheres and the interstellar medium necessarily involve collision processes of electrons with molecules and molecular ions.

• collision
• diatomic molecule
• molecular physics
• molecule
• scattering

• NASA Ames Research Center, Moffet Field, USA

  Winifred M. Huo

• University of Rome, City of Rome, Rome, Italy

  Franco A. Gianturco

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