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Computational Methods for Electronโ€”Molecule Collisions

โœ Scribed by T. N. Rescigno, C. W. McCurdy, A. E. Orel, B. H. Lengsfield III (auth.), Winifred M. Huo, Franco A. Gianturco (eds.)


Publisher
Springer US
Year
1995
Tongue
English
Leaves
374
Edition
1
Category
Library

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โœฆ Synopsis


The collision of electrons with molecules and molecular ions is a fundamental proยญ cess in atomic and molecular physics and in chemistry. At high incident electron enยญ 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 virยญ 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 appliยญ cations. The study of planetary atmospheres and the interstellar medium necessarily involve collision processes of electrons with molecules and molecular ions.

โœฆ Table of Contents


Front Matter....Pages i-xvi
The Complex Kohn Variational Method....Pages 1-44
The Linear Algebraic Method for Electron-Molecule Collisions....Pages 45-58
Analysis of Dissociative Recombination of Electrons with ArXe + using ArXe* Calculations....Pages 59-73
Electron-Scattering from Polyatomic Molecules Using a Single-Center-Expansion Formulation....Pages 75-118
A Study of the Porting on Simd and Mimd Machines of a Single Centre Expansion Code to Treat Electron Scattering from Polyatomic Molecules....Pages 119-130
How to Calculate Rotational and Vibrational Cross Sections for Low-Energy Electron Scattering from Diatomic Molecules using Close-Coupling Techniques....Pages 131-190
The (Non-Iterative) Partial Differential Equation Method: Application to Electron-Molecule Scattering....Pages 191-212
An R-Matrix Approach to Electron-Molecule Collisions....Pages 213-226
Non-Adiabatic Effects in Vibrational Excitation and Dissociative Recombination....Pages 227-237
The UK Molecular R-Matrix Scattering Package: a Computational Perspective....Pages 239-254
Electron Collisions with the % MathType!MTEF!2!1!+- % feaagCart1ev2aaatCvAUfeBSjuyZL2yd9gzLbvyNv2CaerbuLwBLn % hiov2DGi1BTfMBaeXatLxBI9gBaerbd9wDYLwzYbItLDharqqtubsr % 4rNCHbGeaGqiVu0Je9sqqrpepC0xbbL8F4rqqrFfpeea0xe9Lq-Jc9 % vqaqpepm0xbba9pwe9Q8fs0-yqaqpepae9pg0FirpepeKkFr0xfr-x % fr-xb9adbaqaaeGaciGaaiaabeqaamaabaabaaGcbaGaamisaiaadw % gadaqhaaWcbaGaaGOmaaqaaiabgUcaRaaaaaa!3976! $$ He_2^ + $$ Cation....Pages 255-263
Rovibrational Excitation by Electron Impact....Pages 265-291
Tailoring the R-Matrix Approach for Application to Polyatomic Molecules....Pages 293-308
R-Matrix Techniques for Intermediate Energy Scattering and Photoionization....Pages 309-326
The Schwinger Variational Method....Pages 327-355
Back Matter....Pages 357-364

โœฆ Subjects


Atomic, Molecular, Optical and Plasma Physics;Nuclear Physics, Heavy Ions, Hadrons;Theoretical, Mathematical and Computational Physics


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