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E-book
Author Balint-Kurti, Gabriel G., author.

Title Theory of molecular collisions / Gabriel G. Balint-Kurti, Alexander Palov
Published [Cambridge] : Royal Society of Chemistry, 2015

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Description 1 online resource
Series RSC theoretical and computational chemistry series, 2041-3181 ; 7
RSC theoretical and computational chemistry series ; 7. 2041-3181
Contents Cover ; Theory of Molecular Collisions; Preface ; Contents ; Chapter 1 Scattering Experiments and Classical Theory of Atom-Atom Scattering; Crossed Atomic and Molecular Beams; Classical Theory of Atom-Atom Elastic Scattering; Hard Sphere Collisions; Scattering Under the Influence of a Potential; Singularities of a Differential Scattering Cross Section; The Laboratory and the Center-of-Mass Reference Frames: Newton Diagrams; References; Chapter 2 Quantum Theory of Atom-Atom Elastic Scattering; The Wave Picture of the Scattering Process; The Phase Shift; Partial Wave Expansion
Scattering of Identical ParticlesThe S and T Matrices; Quasi-Bound States and the Lifetime Matrix; Illustrative Examples: Ne+Ne and Ar++ArScattering; Differential and Integral Cross Sections; Shape Resonances; Exchange Symmetry; Extraction of Interaction Potentials from Crossed Beam Experiments; Low Energy Scattering and the Scattering Length; References; Chapter 3 Inelastic Scattering: Basic Theory; Atom-Diatom Collisions; Space-Fixed Formulation; The Total Angular Momentum; The Coupled Equations; The S and T Matrices and Differential Cross Sections
Conservation of Particle Flux, Symmetryand Unitarity of S MatrixThe Integral Cross Sections; Body-Fixed Formulation and Helicities; References; Chapter 4 Inelastic Scattering: Exact and Approximate Solutions; Solving the Close-Coupling Equations; Piecewise Analytic Solutions Method; Log-Derivative Method; Comparison of Theory and Experiment; Approximate Methods; Neglect of Coupling; Born and Distorted Wave Approximations; References; Chapter 5 Rate Constants, Cross Sections and Reactive Scattering; Cross Sections and Rates of Chemical Reactions; Detailed Balance
Determination of Detailed Rate ConstantsMeasurement of Differential Reactive Cross Sections; The Alkali Age; The Modern Age-Universal Detectors; References; Chapter 6 Time-Independent Quantum Theory of Reactive Scattering ; Potential Energy Surfaces; Hyperspherical Coordinates; The Wavefunction, S Matrix and Cross Sections; Exact Reactive Scattering Calculationsfor Atom-Diatom Reactions; H + H2 Reactive Scattering; F + HDHF + D Reactive Scattering; References; Chapter 7 Wavepackets and Time-Dependent Quantum Theory of Reactive Scattering; Solving the Time-Dependent Schrödinger Equation
Chebyshev Expansion of the Time Evolution OperatorSetting Up the Initial Wavepacket; Absorbing the Wavepacket at the Edge of the Grid; The Scattering Equations and Calculation of the Cross Sections; An Example: HD + OH H2 O + D ReactiveDifferential Cross Section; References; Chapter 8 The Real Wavepacket Method and Time-Independent Wavepackets; Iterative Time Propagation; Scaling and Mapping the Hamiltonian Operator; Absorbing the Wavepacket; Calculating the S Matrix; Applications; O(1D)+H2 OH+H: ConicalIntersections and ElectronicallyNon-Adiabatic Transitions
Summary Almost 100 years have passed since Trautz and Lewis put forward their collision theory of molecular processes. Today, knowledge of molecular collisions forms a key part of predicting and understanding chemical reactions. This book begins by setting out the classical and quantum theories of atom-atom collisions. Experimentally observable aspects of the scattering processes; their relationship to reaction rate constants and the experimental methods used to determine them are described. The quantum mechanical theory of reactive scattering is presented and related to experimental observables. The role of lasers in the measurement and analysis of reactive molecular collisions is also discussed. Written with postgraduates and newcomers to the field in mind, mathematics is kept to a minimum, and readers are guided to appendices and further reading to gain a deeper understanding of the mathematics involved
Notes Includes index
Bibliography Includes bibliographical references at the end of each chapters and index
Notes English
Publisher supplied information; title not viewed
Subject Atom-atom collisions.
SCIENCE -- Physics -- Quantum Theory.
Atom-atom collisions.
Form Electronic book
Author Palov, Alexander, author
Royal Society of Chemistry (Great Britain)
ISBN 9781782620198
1782620192
9781849738309
1849738300