Computational Methods for Electron—Molecule Collisions

Franco A. Gianturco, W.M. Huo (Herausgeber)

Buch | Hardcover

364 Seiten

1995 | 1995 ed.
Plenum Publishing Co.,N.Y. (Verlag)
978-0-306-44911-6 (ISBN)

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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.

The Complex Kohn Variational Method.- 1. The Complex Kohn Variational Method.- The Linear Algebraic Method.- 2. The Linear Algebraic Method for Electron-Molecule Collisions.- The Multichannel Quantum Defect Method.- 3. Analysis of Dissociative Recombination of Electrons with ArXe+ using ArXe* Calculations.- Method Based on Single-Center Expansion of the Target.- 4. Electron-Scattering from Polyatomic Molecules Using a Single-Center-Expansion Formulation.- 5. A Study of the Porting on Simd and Mimd Machines of a Single Centre Expansion Code to Treat Electron Scattering from Polyatomic Molecules.- Rotational and Vibrational Close Coupling.- 6. How to Calculate Rotational and Vibrational Cross Sections for Low-Energy Electron Scattering from Diatomic Molecules using Close-Coupling Techniques.- The Partial Differential Equation Method.- 7. The (Non-Iterative) Partial Differential Equation Method: Application to Electron-Molecule Scattering.- The R-Matrix Method.- 8. An R-Matrix Approach to Electron-Molecule Collisions.- 9. Non-Adiabatic Effects in Vibrational Excitation and Dissociative Recombination.- 10. The UK Molecular R-Matrix Scattering Package: a Computational Perspective.- 11. Electron Collisions with the
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Erscheint lt. Verlag	31.3.1995
Zusatzinfo	XVI, 364 p.
Sprache	englisch
Maße	178 x 254 mm
Themenwelt	Naturwissenschaften ► Physik / Astronomie ► Atom- / Kern- / Molekularphysik
ISBN-10	0-306-44911-0 / 0306449110
ISBN-13	978-0-306-44911-6 / 9780306449116
Zustand	Neuware