Cover image for Nonadiabatic Transition : Concepts, Basic Theories and Applications.
Nonadiabatic Transition : Concepts, Basic Theories and Applications.
Title:
Nonadiabatic Transition : Concepts, Basic Theories and Applications.
Author:
Nakamura, Hiroki.
ISBN:
9789812778406
Personal Author:
Physical Description:
1 online resource (389 pages)
Contents:
Contents -- Preface -- Chapter 1 Introduction: What is "Nonadiabatic Transition"? -- Chapter 2 Multi-Disciplinarity -- 2.1. Physics -- 2.2. Chemistry -- 2.3. Biology -- 2.4. Economics -- Chapter 3 Historical Survey of Theoretical Studies -- 3.1. Landau-Zener-Stueckelberg Theory -- 3.2. Rosen-Zener-Demkov Theory -- 3.3. Nikitin's Exponential Model -- 3.4. Nonadiabatic Transition Due to Coriolis Coupling and Dynamical State Representation -- Chapter 4 Background Mathematics -- 4.1. Wentzel-Kramers-Brillouin Semiclassical Theory -- 4.2. Stokes Phenomenon -- Chapter 5 Basic Two-State Theory for Time-Independent Processes -- 5.1. Exact Solutions of the Linear Curve Crossing Problems -- 5.1.1. Landau-Zener type -- 5.1.2. Nonadiabatic tunneling type -- 5.2. Complete Semiclassical Solutions of General Curve Crossing Problems -- 5.2.1. Landau-Zener (LZ) type -- 5.2.1.1. E > Ex (b2 > 0) -- 5.2.1.2. E Eb (b2 > 1) -- 5.2.2.4. Complete reflection -- 5.2.2.5. Numerical examples -- 5.3. Non-Curve-Crossing Case -- 5.3.1. Rosen-Zener-Demkov model -- 5.3.2. Diabatically avoided crossing model -- 5.4. Exponential Potential Model -- 5.5. Mathematical Implications -- 5.5.1. Case (i) -- 5.5.2. Case (ii) -- 5.5.3. Case (iii) -- Chapter 6 Basic Two-State Theory for Time-Dependent Processes -- 6.1. Exact Solution of Quadratic Potential Problem -- 6.2. Semiclassical Solution in General Case -- 6.2.1. Two-crossing case: B > 0 (see Fig. 6.1(a)) -- 6.2.2. Diabatically avoided crossing case: B < 0 (see Fig. 6.1(b)) -- 6.3. Other Exactly Solvable Models -- Chapter 7 Two-State Problems -- 7.1. Diagrammatic Technique -- 7.2. Inelastic Scattering.

7.3. Elastic Scattering with Resonances and Predissociation -- 7.4. Perturbed Bound States -- 7.5. Time-Dependent Periodic Crossing Problems -- Chapter 8 Effects of Dissipation and Fluctuation -- Chapter 9 Multi-Channel Problems -- 9.1. Exactly Solvable Models -- 9.1.1. Time-independent case -- 9.1.2. Time-dependent case -- 9.2. Semiclassical Theory of Time-Independent Multi-Channel Problems -- 9.2.1. General framework -- 9.2.1.1. Case of no closed channel (m = 0) -- 9.2.1.2. Case of m # 0 at energies higher than the bottom of the highest adiabatic potential -- 9.2.1.3. Case of m # 0 at energies lower than the bottom of the highest adiabatic potential -- 9.2.2. Numerical example -- 9.3. Time-Dependent Problems -- Chapter 10 Multi-Dimensional Problems -- 10.1. Classification of Surface Crossing -- 10.1.1. Crossing seam -- 10.1.2. Conical intersection -- 10.1.3. Renner-Teller effect -- 10.2. Reduction to One-Dimensional Multi-Channel Problem -- 10.2.1. Linear Jahn-Teller problem -- 10.2.2. Collinear chemical reaction -- 10.2.3. Three-dimensional chemical reaction -- 10.3. Semiclassical Propagation Method -- Chapter 11 Complete Reflection and Bound States in the Continuum -- 11.1. One NT-Type Crossing Case -- 11.2. Diabatically Avoided Crossing (DAC) Case -- 11.3. Two NT-Type Crossings Case -- 11.3.1. At energies above the top of the barrier: (Eu, oo) -- 11.3.2. At energies between the barrier top and the higher crossing: (E+, EU) -- 11.3.3. At energies in between the two crossing regions: (E-, E+) -- 11.3.4. At energies below the crossing points: (- oo, E_ ) -- 11.3.5. Numerical examples -- Chapter 12 New Mechanism of Molecular Switching -- 12.1. Basic Idea -- 12.2. One-Dimensional Model -- 12.2.1. Transmission in a pure system -- 12.2.2. Transmission in a system with impurities -- 12.2.3. Molecular switching.

12.3. Two-Dimensional Model -- 12.3.1. Two-dimensional constriction model -- 12.3.2. Wave functions matching and transmission coefficient -- 12.4. Numerical Examples -- Chapter 13 Control of Nonadiabatic Processes by an External Field -- 13.1. Control of Nonadiabatic Transitions by Periodically Sweeping External Field -- 13.2. Basic Theory -- 13.2.1. Usage of the Landau-Zener-Stueckelberg type transition -- 13.2.2. Usage of the Rosen-Zener-Demkov type transition -- 13.2.3. General case -- 13.3. Numerical Examples -- 13.3.1. Spin tunneling by a magnetic field -- 13.3.2. Vibrational and tunneling transitions by laser -- 13.3.2.1. Landau-Zener-Stueckelberg type transition -- 13.3.2.2. Rosen-Zener-Demkov type transition -- 13.3.2.3. General case -- 13.4. Laser Control of Photodissociation with Use of the Complete Reflection Phenomenon -- Chapter 14 Conclusions: Future Perspectives -- Appendix A Final Recommended Formulas for General Time-Independent Two-Channel Problem -- A.l. Landau-Zener Type -- A.l.l. E> Ex (crossing energy) (b2 > 0) -- A.1.2. E Eb -- A.2.2. Eb>E>Et -- A.2.3. E < Et -- Appendix B Time-Dependent Version of the Zhu-Nakamura Theory -- Bibliography -- Index.
Abstract:
Nonadiabatic transition is a highly multidisciplinary concept and phenomenon, constituting a fundamental mechanism of state and phase changes in various dynamical processes of physics, chemistry and biology, such as molecular dynamics, energy relaxation, chemical reaction, and electron and proton transfer. Control of molecular processes by laser fields is also an example of time-dependent nonadiabatic transition. Thus, nonadiabatic transition represents one of the very basic mechanisms of the mutability of the world. This book has been written because the complete analytical solutions to the basic problem have recently been formulated by the author. Sample Chapter(s). Chapter 1: Introduction: What is Nonadiabatic Transition? (110 KB). Contents: Introduction - What is "Nonadiabatic Transition"?; Multidisciplinarity; Historical Survey of Theoretical Studies; Background Mathematics; Basic Two-State Theory for Time-Independent Processes; Basic Two-State Theory for Time-Dependent Processes; Two-State Problems; Effects of Dissipation and Fluctuation; Multi-Channel Problems; Multi-Dimensional Problems; Complete Reflection and Bound States in the Continuum; New Mechanism of Molecular Switching; Control of Nonadiabatic Processes by an External Field; Conclusions: Future Perspectives. Readership: Graduate students and researchers in molecular physics, atomic physics, physical chemistry and theoretical physics.
Local Note:
Electronic reproduction. Ann Arbor, Michigan : ProQuest Ebook Central, 2017. Available via World Wide Web. Access may be limited to ProQuest Ebook Central affiliated libraries.
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