Quantum Theory of Anharmonic Effects in Molecules 1st Edition by Konstantin V Kazakov ISBN 0123979129 9780123979124

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ISBN 10: 0123979129
ISBN 13: 9780123979124
Author: Konstantin V Kazakov

Presented in a clear and straightforward analysis, this book explores quantum mechanics and the application of quantum mechanics to interpret spectral phenomena. Specifically, the book discusses the relation between spectral features in mid or rear infrared regions, or in Raman scattering spectrum, and interactions between molecules or molecular species such as molecular ions, and their respective motions in gaseous or crystalline conditions. Beginning with an overview of conventional methods and problems which arise in molecular spectroscopy, the second half of the book suggests original techniques to investigate the area. The treatment is based on rigorous quantum-mechanical theories and procedures that are readily implemented in either manual methods or with symbolic computational software.

Quantum Theory of Anharmonic Effects in Molecules 1st Table of contents:

1 The Laws of Quantum Mechanics
Introduction
Observables and Variables
The Conditions of Quantum Theory
Angular Momentum
The Principal Equations
Dirac’s Theory
Spin and Magnetic Moment
Phenomenological Description
Semiclassical Theory of Radiation
Fermi’s Golden Rule
Intensities of Transitions
Second Quantization
A Harmonic Oscillator
The Fields of Bosons and Fermions
Molecules
Born–Oppenheimer Approximation
Chemical Bond
Questions of Symmetry
Point Groups
Classification of States According to Symmetry
2 The Evolution of Perturbation Theory
Preamble
Frequencies and Intensities
Perturbation Algebra
Expansions of Two Types
Many-Time Formalism
Methods of Quantum-Field Theory
Diagrams and Computational Rules
Other Trends and Methods
Alternative Perturbation Theory
Canonical Transformation
Hypervirial Result
3 Polynomials of Quantum Numbers
The Principles of the Theory
Recurrence Equations
Many-Dimensional Case
The Problem of Degenerate States
Introduction to a Theory of Anharmonicity
Advantages of the New Technique
Polynomials and Computational Rules
Electro-Optics of Molecules
Phenomenon of Strong Anharmonicity
The Direct and Inverse Problems of Spectroscopy
Extraneous Quantum Numbers
Factorization of the Matrix Elements
The First Coefficients
Calculation of Higher-Order Approximations
Future Developments
Functions of Quantum Numbers
Background
4 Effects of Anharmonicity
Extension to Magnetic Phenomena
Magneto-Optical Anharmonicity
An Electron in a Magnetic Field
The Resonance Interaction
Dimers in Low-Temperature Liquids
Diatomic Dimers
On the Theory of Overtones
XH–XH Pairs
5 The Method of Factorization
Algebraic Formalism
Atom of Hydrogen Type
Some Problems Involving Anharmonicity
Pöschl–Teller Potential
Pöschl–Teller-Like Potential
Morse’s Oscillator
Generalized Morse’s Oscillator

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