Selected Topics of the Theory of Chemical Elementary Processes


Book Description

Introduction 1 1. 2. Basic Concepts and Phenomenological Description 6 2.1. Separation of the Center-of-Mass Motion 8 2.2. Separation of Electronic and Nuclear Motions. Interaction Potentials (Potential-Energy Surfaces) 11 2.2.1. Heuristic Considerations 11 2.2.2. Born-Oppenheimer Separation. Adiabatic Approximation, 16 Present State of Potential-Energy-Burface 2.2.3. Calculations 23 2.3. Scattering Channels ~6 2.4. Classification of Elementary Processes. Microscopic Mechanism 27 D.ynamics of Atomic and Molecular Collisions: 3. Electronically Adiabatic Processes 32 Classical Approach 3.1. 33 Some Arguments for the Reliability of the Classical Approach 33 Atom-Atom Collisions. Elastic Scattering 34 Quasiclassical Treatment of Elementary Processes in Triatomic Systems: Inelastic and Reactive Scattering 44 IV Examples of Results of Trajectory Calculations 59 3.1.4. 64 Elements of Quantum-Mechanical Methods 3.2. Correspondence of Classical and Quantum 3.2.1. 64 Mechanical Theories Time-Dependent Scattering Theory 71 3.2.2. Stationary Scattering Theory 77 3.2.3. One-Dimensional Scattering 78 3.2.3.1 • Three-Dimensional Elastic Scattering 83 3.2.3.2. Rearrangement Scattering (Reactions) 85 3.2.3.3. Examples of Quantum-Mechanical Calculations 3.2.4.
















Theory of Chemical Reaction Dynamics


Book Description

Proceedings of the NATO Advanced Research Workshop, held in Balatonföldvár, Hungary, 8-12 June 2003




Laser Spectroscopy And Photochemistry On Metal Surfaces (In 2 Parts) - Part 2


Book Description

Using lasers to induce and probe surface processes has the advantages of quantum state specificity, species selectivity, surface sensitivity, fast time-resolution, high frequency resolution, and accessibility to full pressure ranges. These advantages make it highly desirable to use light to induce, control, or monitor surface chemical and physical processes. Recent applications of laser based techniques in studying surface processes have stimulated new developments and enabled the understanding of fundamental problems in energy transfer and reactions. This volume will include discussions on spectroscopic techniques, energy transfer, desorption dynamics, and photochemistry.




Laser Spectroscopy and Photochemistry on Metal Surfaces


Book Description

Using lasers to induce and probe surface processes has the advantages of quantum state specificity, species selectivity, surface sensitivity, fast time-resolution, high frequency resolution, and accessibility to full pressure ranges. These advantages make it highly desirable to use light to induce, control, or monitor surface chemical and physical processes. Recent applications of laser based techniques in studying surface processes have stimulated new developments and enabled the understanding of fundamental problems in energy transfer and reactions. This volume will include discussions on spectroscopic techniques, energy transfer, desorption dynamics, and photochemistry.




Vibrations At Surfaces 1985


Book Description

This volume contains almost all of the 79 papers presented at the Fourth International Conference on Vibrations at Surfaces. The proceedings reflect the significant advances that have been made in the field of surface vibrations since the previous conference on the topic held in 1982. The presented papers showed a tendency of development in new directions, particularly in relation to dynamical effects occurring in atom and molecule-surface interactions. These proceedings cover the field of surface vibrational spectroscopy in such a way as to make the book an asset to those involved in both experimental and theoretical work in this field.




Many – Body Phenomena At Surfaces


Book Description

Many-Body Phenomena at Surfaces contains the proceedings of a two-week 1983 Workshop on Many-Body Phenomena at Surfaces sponsored by the Institute for Theoretical Physics, University of California, Santa Barbara. This workshop covers the many-body phenomena and the many-particle aspects of structural phenomena. This text is organized into six parts encompassing 29 chapters, and begins with a description of the method generally used to calculate ground state properties, densities, equilibrium positions, adiabatic potential curves, and energies of surfaces with and without an adsorbate atom or molecule. It goes on to apply these methods to binding and the calculation of potential surfaces, followed by a more diffuse section on various spectroscopies. Topics here include the experiments that elucidate the dynamic phenomena and the theoretical description, which is of relevance to dynamics. The next section discusses the dynamic phenomena of the inelastic mechanisms important when atomic and molecular species impinge on a surface. The remaining sections describe some elementary reactions, catalysis, and magneto-catalytic phenomena. This book is directed toward all surface scientists, specifically physicists, chemists, theorists, and experimentalists.