Selected Topics of the Theory of Chemical Elementary Processes

1. Front Matter

   Pages I-IX

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2. Introduction

   • Evgueni E. Nikitin, Lutz Zülicke

   Pages 1-5

3. Basic Concepts and Phenomenological Description

   • Evgueni E. Nikitin, Lutz Zülicke

   Pages 6-31

4. Dynamics of Atomic and Molecular Collisions: Electronically Adiabatic Processes

   • Evgueni E. Nikitin, Lutz Zülicke

   Pages 32-94

5. Classical-Limit and Semiclassical Approaches to the Calculation of Molecular Collisional Transition Probabilities

   • Evgueni E. Nikitin, Lutz Zülicke

   Pages 95-122

6. Theory of Non-Adiabatic Transitions in Atomic and Molecular Collision Processes

   • Evgueni E. Nikitin, Lutz Zülicke

   Pages 123-160

7. Back Matter

   Pages 161-175

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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.

• Atom
• Chemische Reaktion
• Molekularer Stoss
• Quantenchemie
• action potential
• chemical reaction
• classification
• collision
• dynamics
• elastic scattering
• energy
• quantum chemistry
• reactions
• scattering theory
• symmetry

• Institute of Chemical Physics, Academy of Sciences of U.S.S.R., Moscow, U.S.S.R.

  Evgueni E. Nikitin

• Central Institute of Physical Chemistry, Academy of Sciences of G.D.R., Berlin-Adlershof, G.D.R.

  Lutz Zülicke

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