Molecular Collision Dynamics. (=Topics in Current Physics; Volume 33).

Bowman, J.M. (Ed.):

ISBN 10: 3540120149 / ISBN 13: 9783540120148

Editore: Springer-Verlag Berlin, 1983

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158 guter Zustand/ good Ex-Library. With figures and tables. ha1054224 Sprache: Englisch Gewicht in Gramm: 400.

Codice articolo 282382

Dati bibliografici

• Titolo: Molecular Collision Dynamics. (=Topics in Current Physics; Volume 33).
• Editore: Springer-Verlag Berlin
• Data di pubblicazione: 1983
• Lingua: Inglese
• ISBN 10: 3540120149
• ISBN 13: 9783540120148
• Rilegatura: Hardcover/ Pappband
• Condizione: Gut
• Peso: 400 grammi
• Cataloghi dei venditori:
  • Fachbücher - Naturwissenschaften

Descrizione articolo

Riassunto

This monograph covers a broad spectrum of topics in the very broad field of gas phase molecular collision dynamics. The Introduction previews each of the four fol- lowing topics and attempts to sew them together with a common thread. In addition, a brief review of quantum reactive scattering is given there along with some gen- eral remarks which highlight the difficulties in doing quantum reactive scatter- ing calculations. The chapters are all written by theoreticians who are, of course, experts in the subjects they have written about. Three chapters, the ones by Secrest, Schatz, and the one by Schinke and Bowman deal with non-reactive atom-molecule scattering. Col- lectively, they describe nearly the full breadth of scattering methods in use to- day, from fully quantum mechanical to semiclassical and quasiclassical. The chapter by Baer is the only one dealing with quantum reactive scattering with the additional complexity of the coupling of two potential energy surfaces. The one simplifying feature of the treatment is that the reaction is constrained to be collinear. Overall, this monograph is mainly a review of the recent advances in the field of molecular collision dynamics, with, however, a considerable amount of new material. It is hoped that workers and students in the field will find reading the mono- graph both enlightening and enjoyable.

Contenuti

1. Introduction.- References.- 2. Inelastic Vibrational and Rotational Quantum Collisions.- 2.1 General Computational Techniques.- 2.1.1 The Scattering Equations.- 2.1.2 Boundary Conditions.- 2.1.3 Asymptotic Approximations.- 2.2 A Higher-Order Coupled States Approximation.- 2.2.1 The Phase in the Body Fixed Coordinate System.- 2.2.2 Correcting the Coupled States Approximation.- References.- 3. Quasiclassical Trajectory Studies of State to State Collisional Energy Transfer in Polyatomic Molecules.- 3.1 Background.- 3.2 Semiclassical Vibration-Rotation Motions of Polyatomic Molecules.- 3.2.1 Classical Molecular Hamiltonian.- 3.2.2 Rotational-Vibrational Partitioning.- 3.2.3 Vibrational Semiclassical Eigenstates: Classical Perturbation Theory.- 3.2.4 Rotational Motions and Eigenstates.- 3.3 Trajectory Studies of Polyatomic Molecule Collisions.- 3.3.1 Trajectory Initial Conditions.- 3.3.2 Trajectory Final Conditions.- 3.3.3 Assignment of Final Quantum States.- 3.4 Collisional Excitation in He + SO2.- 3.4.1 Details of Trajectory Calculations.- 3.4.2 Trajectory Results.- 3.5 Conclusion.- References.- 4. Rotational Rainbows in Atom-Diatom Scattering.- 4.1 Background.- 4.1.1 Experiment.- 4.1.2 Theory.- 4.1.3 Outline.- 4.2 Review of Rainbows in Isotropic Potential Scattering.- 4.3 Classical Limit of the IOS Approximation.- 4.3.1 Basic IOS Formulas.- 4.3.2 Classical Limit of (4.14) for j = 0.- 4.3.3 Uniform Approximation.- 4.3.4 Qualitative Behavior of Cross Sections.- 4.3.5 Relationship to Other Work.- 4.4 Numerical Examples.- 4.4.1 Homonuclear Case.- 4.4.2 Heteronuclear Case.- 4.5 Recent Experiments and Comparison with Theory.- 4.5.1 State-Unresolved Experiments.- 4.5.2 State-Resolved Experiments.- 4.6 Approximate Analytical Expressions for X(?,?),J(?,?) and the Rainbow Curve jR(?).- 4.6.1 Hard Shell Scattering.- 4.6.2 High Energy Approximation.- 4.7 Conclusion and Prognosis.- References.- 5. Quantum Mechanical Treatment of Electronic Transitions in Atom-Molecule Collisions.- 5.1 The General Approach.- 5.1.1 The Diabatic Representation.- 5.1.2 The Adiabatic Representation.- 5.1.3 The Adiabatic-Diabatic Transformation.- 5.1.4 The Adiabatic-Diabatic Transformation in Three Dimensions.- 5.2 Numerical Examples.- 5.2.1 Reactive Systems.- (a) The (H2 + H)+ System.- (b) The (Ar + H2)+ System.- (c) The Ba + N2O System.- (d) The F + H2 System.- 5.2.2 Nonreactive Systems.- 5.3 Electronic Nonadiabatic Processes Among Potential Curves.- 5.3.1 Reducing the Surface Crossing Problem to a Curve Crossing Problem.- 5.3.2 The Two-Curve Model.- 5.3.3 A Multi-Curve Crossing Model for Reactions.- (a) The Model.- (b) The Simplified Models.- 5.4 Electronic Nonadiabatic Processes in Strong Laser Fields.- 5.5 Summary and Conclusions.- References.