The Transfer of Molecular Energies by Collision: Recent Quantum Treatments [E-Book] / by Franco Antonio Gianturco.
I I These Lecture Notes are intended as an introduction to the theoretical formulation and computational aspects of the molecular energy transfer processes which take place in an increasingly sophisticated range of molecular scattering experiments. They are directed to chemistry graduate students an...
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Full text |
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Personal Name(s): | Gianturco, Franco Antonio, author |
Imprint: |
Berlin, Heidelberg :
Springer,
1979
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Physical Description: |
VIII, 329 p. online resource. |
Note: |
englisch |
ISBN: |
9783642931222 |
DOI: |
10.1007/978-3-642-93122-2 |
Series Title: |
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Lecture Notes in Chemistry ;
11 |
Subject (LOC): |
- 1. A Résumé of Quantum Mechanical Potential Scattering
- 1.1. General formulation of the problem
- 1.2. Solutions of the radial equation
- 1.3. The method of partial waves
- 1.4. Some properties of ??. The Born approximation
- 1.5. Properties of the S-matrix: bound states and resonances
- 1.6. Classical and semiclassical scattering,a set of definitions
- References
- 2. Potential Energy Hypersurface Calculations for Simple Systems
- 2.1. Kinematic considerations
- 2.2. General development of a priori method
- 2.3. Some approximate treatments
- 2.4. The electron gas model
- 2.5. A survey of recent applications
- References
- 3. Rotational and Vibrational Inelasticity in Molecular Encounters
- 3.1. Introduction
- 3.2. Quantum treatments of inelastic collisions
- 3.3. The rotational behaviour of molecules
- 3.4. Rotational excitation in atom-molecule collisions: the SF reference frame
- 3.5. Rotational excitation in atom-molecule collision: the helicity representation
- 3.6. The vibro-rotational extension
- 3.7. Molecule- molecule inelastic encounters
- 3.8. Applications
- References
- 4. Dimensionality Reduction Methods for Rotovibrational Cross Section Calculations
- 4.1. Introduction
- 4.2. The CS approach
- 4.3. The sudden approximation methods
- 4.4. The effective potential treatment
- 4.5. The BSA treatments of purely vibrational inelasticity
- 4.6. The LD simplifications
- 4.7. The distorted wave approximations
- 4.8. General conclusions
- References
- 5. Numerical Methods for the Coupled Equations: A Survey
- 5.1. Introduction
- 5.2. The De Vogelaere’s method
- 5.3. The Numerov methods
- 5.4. The methods of piecewise analytic solutions
- 5.5. The solutions via integral equations
- 5.6. The coupled channel R-matrix methods
- 5.7. The variable phase methods
- References
- 6. Rotovibrational Relaxation Models in Simple Gases
- 6.1. Introductions
- 6.2. An outline of experiments
- 6.3. The rate equations
- 6.4. The H2 — He relaxations and other examples
- References.