Nguồn ngoài

Quantum Chemistry with Applications in Spectroscopy

This text maintains a connection to measurable phenomena when discussing the otherwise abstract quantum mechanical models. In particular, efforts were directed to follow the development of each model with specific spectroscopic examples which utilize the basic models as foundations to understand the behavior of real chemical systems.

Physical and Theoretical Chemistry Textbook Maps Chemistry

Tác giả: Patrick Fleming
Nhà xuất bản: California State University East Bay
Nguồn: LibreTexts
Giấy phép: CC BY-NC-SA
Ngôn ngữ: EN
Danh mục: Khoa học cơ bản

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Mục lục· 106 mục

01: Foundations and Review
1.01: Some Newtonian Physics
1.02: Some Vectors and Dot Products
1.03: Classical Description of a Wave on a String
1.04: Failures of Classical Physics
1.05: On Superposition and the Weirdness of Quantum Mechanics
1.06: References
1.07: Vocabulary and Concepts
1.08: Problems
02: Particle in a Box
2.01: Background
2.02: The Postulates of Quantum Mechanics
2.03: The One-Dimensional Particle in a Box
2.04: The Tools of Quantum Mechanics
2.05: Superposition and Completeness
2.06: Problems in Multiple Dimensions
2.07: The Free Electron Model
2.08: Entanglement and Schrodinger's Cat
2.09: References
2.10: Vocabulary and Concepts
2.11: Problems
03: An Introduction to Group Theory
3.01: Overview
3.02: Group Theory in Chemistry
3.03: Determining the Point Group for a Molecule- the Schoenflies notation
3.04: Multiplication Operation for Symmetry Elements
3.05: More Definitions- Order and Class
3.06: Representations
3.07: The Great Orthogonality Theorem
3.08: Character and Character Tables
3.09: Direct Products
3.10: Vocabulary and Concepts
3.11: Problems
04: The Harmonic Oscillator and Vibrational Spectroscopy
4.01: The Potential Energy Surface for a Diatomic Molecule
4.02: Solving the Schrodinger Equation
4.03: Strengths and Weaknesses
4.04: Vibrational Spectroscopy Techniques
4.05: Group Theory Considerations
4.06: References
4.07: Vocabulary and Concepts
4.08: Problems
05: The Rigid Rotor and Rotational Spectroscopy
5.01: Spherical Polar Coordinates
5.02: Potential Energy and the Hamiltonian
5.03: Solution to the Schrodinger Equation
5.04: Spherical Harmonics
5.05: Angular Momentum
5.06: Application to the Rotation of Real Molecules
5.07: Spectroscopy
5.08: References
5.09: Vocabulary and Concepts
5.10: Problems
06: The Hydrogen Atom
6.01: Older Models of the Hydrogen Atom
6.02: The Quantum Mechanical H-atom
6.03: Rydberg Spectra of Polyelectronic Atoms
6.04: References
6.05: Vocabulary and Concepts
6.06: Problems
07: Approximate Methods
7.01: Perturbation Theory
7.02: Variational Method
7.03: Vocabulary and Concepts
7.04: Problems
08: Polyelectronic Atoms
8.01: Potential Energy and the Hamiltonian
8.02: The Aufbau Principle
8.03: Orbital Diagrams
8.04: Angular Momentum Coupling
8.05: The Pauli Exclusion Principle
8.06: Atomic Spectroscopy
8.07: Vocabulary and Concepts
8.08: Learning Objectives
8.09: Problems
09: Molecules
9.01: Potential Energy and the Hamiltonian
9.02: The Born-Oppenheimer Approximation
9.03: Molecular Orbital Theory
9.04: Hund's coupling cases (a) and (b)
9.05: Diatomic Term Symbols
9.06: Herzberg Diagrams
9.07: Vibronic Transitions
9.08: Term Symbols for Polyatomic Molecules
9.09: Group Theoretical Approach to Molecular Orbitals
9.10: References
9.11: Vocabulary and Concepts
9.12: Learning Objectives
10: Lasers
10.01: Fractional Population of Quantum States
10.02: Types of Lasers
10.03: Examples of Laser Systems
10.04: Laser Spectroscopy
10.05: References
10.06: Vocabulary and Concepts
10.07: Problems
11: Quantum Strangeness
11.01: Nodes and Wave Nature
11.02: Quantum Interference
11.03: The Stern-Gerlach Experiment
11.04: Spooky Action at a Distance
11.05: Bell's Inequality
11.06: References
12: Appendices
12.01: Appendix I
12.02: Appendix II Selected Character Tables