Quantum Mechanical Tunneling in Chemical Physics

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Quantum mechanical tunneling plays important roles in a wide range of natural sciences, from nuclear and solid-state physics to proton transfer and chemical reactions in chemistry and biology. Responding to the need for further understanding of multidimensional tunneling, the authors have recently developed practical methods that can be applied to multidimensional systems. Quantum Mechanical Tunneling in Chemical Physics presents basic theories, as well as original ones developed by the authors. It also provides methodologies and numerical applications to real molecular systems. The book offers information so readers can understand the basic concepts and dynamics of multidimensional tunneling phenomena and use the described methods for various molecular spectroscopy and chemical dynamics problems. The text focuses on three tunneling phenomena: (1) energy splitting, or tunneling splitting, in symmetric double well potential, (2) decay of metastable state through tunneling, and (3) tunneling effects in chemical reactions. Incorporating mathematics to explain basic theories, the text requires readers to have graduate-level math to grasp the concepts presented. The book reviews low-dimensional theories and clarifies their insufficiency conceptually and numerically. It also examines the phenomenon of nonadiabatic tunneling, which is common in molecular systems. The book describes applications to real polyatomic molecules, such as vinyl radicals and malonaldehyde, demonstrating the high efficiency and accuracy of the method. It discusses tunneling in chemical reactions, including theories for direct evaluation of reaction rate constants for both electronically adiabatic and nonadiabatic chemical reactions. In the final chapter, the authors touch on future perspectives.

JOHN D. JACKSON - A COURSE IN QUANTUM MECHANICS (1版)

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【簡介】 【目錄】 1 Basics 2 Reformulation 3 Wentzel-Kramers-Brillouin (WKB) Method 4 Rotations, Angular Momentum, and Central Force Motion 5 Time-Independent Perturbation Theory 6 Atomic Structure 7 Time-Dependent Perturbation Theory and Scattering 8 Semi-Classical and Quantum Electromagnetic Field 9 Emission and Absorption of Radiation 10 Relativistic Quantum Mechanics A Dimensions and Units B Mathematical Tools C Selected Solutions

Quantum Mechanics: An Accessible Introduction (2版)

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【簡介】 This book provides a comprehensive introduction to quantum mechanics from the ground up. It is designed to be completely self-contained and assumes very little knowledge or mathematical background on the part of students as it takes them through the major topics of quantum mechanics. Designed to be appropriate for students across a wide range of abilities and backgrounds, this book will be particularly helpful for students who might lack some of the mathematical background typically assumed in an undergraduate quantum mechanics course. The book includes three "math interludes" covering such topics as complex numbers, linear operators, vector spaces, and matrix manipulation. The book also discusses some interesting modern applications of quantum mechanics: magnetic resonance imaging and quantum computing, and it concludes with an introduction to relativistic quantum theory. This second edition includes expanded and improved coverage of the Heisenberg uncertainty principle, the use of ladder operators to solve the harmonic oscillator, as well as the treatment of the Lamb shift. 【目錄】 The Origins of Quantum Mechanics Math Interlude A: Complex Numbers and Linear Operators The Schrödinger Equation Solutions of the One-Dimensional Time-Independent Schrödinger Equation Math Interlude B: Linear Algebra Solutions of the Three-Dimensional Time-Independent Schrödinger Equation Math Interlude C: Matrices, Dirac Notation, and the Dirac Delta Function Spin Angular Momentum Time-Independent Perturbation Theory The Variational Principle Time-Dependent Perturbation Theory Scattering Theory Multiparticle Schrödinger Equation Modern Applications of Quantum Mechanics Relativistic Quantum Mechanics

Quantum Mechanics: Formalism, Methodologies, and Applications (1版)

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【簡介】 Quantum Mechanics will enthuse graduate students and researchers and equip them with effective methodologies for challenging applications in atomic, molecular, and optical sciences and in condensed matter and nuclear physics also. This book attempts to make fundamental principles intuitively appealing. It will assist readers in learning difficult methods. Exposition of fundamental principles includes a discussion on position-momentum and energy-time uncertainty, angular momentum algebra, parity, bound and unbound eigenstates of an atom, approximation methods, time-reversal symmetry in collisions, and on a measurable time delay in scattering. It also provides an early introduction to Feynman path integrals and to geometric phase. A novel Lambert-W method to solve quantum mechanical problems is also introduced. It seeks to enable readers gain confidence in applying methods of non-relativistic and relativistic quantum theory rigorously to problems on atomic structure and dynamics, spectroscopy and quantum collisions, and problems on introductory quantum information processing and computing.