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Fundamentals of Quantum Mechanics,

Edition 3

Editors: By James E. House

Publication Date: 21 Apr 2017

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Fundamentals of Quantum Mechanics, Third Edition is a clear and detailed introduction to quantum mechanics and its applications in chemistry and physics. All required math is clearly explained, including intermediate steps in derivations, and concise review of the math is included in the text at appropriate points. Most of the elementary quantum mechanical models—including particles in boxes, rigid rotor, harmonic oscillator, barrier penetration, hydrogen atom—are clearly and completely presented. Applications of these models to selected “real world¿ topics are also included.This new edition includes many new topics such as band theory and heat capacity of solids, spectroscopy of molecules and complexes (including applications to ligand field theory), and small molecules of astrophysical interest.

Key Features

Accessible style and colorful illustrations make the content appropriate for professional researchers and students alike
Presents results of quantum mechanical calculations that can be performed with readily available software
Provides exceptionally clear discussions of spin-orbit coupling and group theory, and comprehensive coverage of barrier penetration (quantum mechanical tunneling) that touches upon hot topics, such as superconductivity and scanning tunneling microscopy
Problems given at the end of each chapter help students to master concepts

About the author

By James E. House, Emeritus Professor of Chemistry, Illinois State University, Normal, IL and and Scholar in Residence, Chemistry, Illinois Wesleyan University, Bloomington, IL, USA

1. Origins of Quantum Theory

Abstract
1.1 Blackbody Radiation
1.2 The Line Spectrum of Atomic Hydrogen
1.3 Electrons and the Nucleus
1.4 The Bohr Model for the Hydrogen Atom
1.5 The Photoelectric Effect
1.6 Particle-Wave Duality
1.7 The Heisenberg Uncertainty Principle
Problems

2. The Methods of Quantum Mechanics

Abstract
2.1 The Postulates
2.2 The Wave Equation
2.3 Operators
2.4 Eigenvalues
2.5 Wave Functions
Problems

3. Particles in Boxes

Abstract
3.1 The Particle in a One-Dimensional Box
3.2 Separation of Variables
3.3 The Particle in a Three-Dimensional Box
3.4 F-Centers in Crystals
3.5 Solvated Electrons
Problems

4. The Hydrogen Atom

Abstract
4.1 Schrödinger's Solution to the Hydrogen Atom Problem
4.2 Interpreting the Solutions
4.3 p and d Wave Functions and Orbitals
4.4 Orthogonality
4.5 Approximate Wave Functions and the Variation Method
Problems

5. Structure and Properties of More Complex Atoms

Abstract
5.1 The Helium Atom
5.2 Perturbation Method
5.3 Slater Wave Functions
5.4 Electron Configurations
5.5 Spectroscopic States
Problems

6. Vibrations and the Harmonic Oscillator

Abstract
6.1 The Vibrating Object
6.2 Linear Differential Equations with Constant Coefficients
6.3 Back to the Vibrating Object
6.4 The Quantum Mechanical Harmonic Oscillator
6.5 Series Solutions of Differential Equations
6.6 Back to the Harmonic Oscillator
6.7 Population of States
6.8 Heat Capacity of Metals
Problems

7. Molecular Rotation and Spectroscopy

Abstract
7.1 Rotational Energies
7.2 Quantum Mechanics of Rotation
7.3 Heat Capacities of Gases
7.4 Energy Levels in Gaseous Atoms and Molecules
7.5 Rotational Spectra of Diatomic Molecules
Problems

8. Bonding and Properties of Diatomic Molecules

Abstract
8.1 An Elementary Look at Covalent Bonds
8.2 Some Simple Relationships for Bonds
8.3 The LCAO-MO Method
8.4 Diatomic Molecules of the Second Period
8.5 Overlap and Exchange Integrals
8.6 Heteronuclear Diatomic Molecules
8.7 Symmetry of Molecular Orbitals
8.8 Orbital Symmetry and Reactivity
8.9 Term Symbols
Problems

9. The Hückel Molecular Orbital Method

Abstract
9.1 The Hückel Method
9.2 Determinants
9.3 Solving Polynomial Equations
9.4 Hückel Calculations for Larger Molecules
9.5 Calculations Including Heteroatoms
9.6 Some Triatomic Inorganic Molecules
9.7 Kernels, Repulsion, and Stability
9.8 Band Theory of Metals
Problems

10. Molecular Structure and Symmetry

Abstract
10.1 Valence Bond Description of Molecular Structure
10.2 What Symmetry Means
10.3 Symmetry Elements
10.4 What Point Group Is It?
10.5 Group Theory
10.6 Symmetry of Molecular Orbitals
10.7 Molecular Orbital Diagrams
10.8 The Three-Center Bond
10.9 Orbital Symmetry and Reactivity
Problems

11. Molecular Spectroscopy

Abstract
11.1 Visible and Ultraviolet Spectroscopy
11.2 Electronic Transitions in Molecules
11.3 Photoelectron Spectroscopy
11.4 Determining Bond Lengths in Diatomic Molecules
11.5 Structure Determination
11.6 Types of Bonds Present
11.7 Solvatochromism
11.8 The Hydrogen Bond
11.9 Effects of Hydrogen Bonding on Spectra
Problems

12. Spectroscopy of Metal Complexes

Abstract
12.1 The Effect of Ligands on d Orbitals
12.2 Bands in Electronic Spectra of Complexes
12.3 Interpreting Electronic Spectra of Complexes
12.4 Charge Transfer Absorption
12.5 Back Donation
Problems

13. Barrier Penetration

Abstract
13.1 The Phenomenon of Barrier Penetration
13.2 The Wave Equations
13.3 Alpha Decay
13.4 Tunneling and Superconductivity
13.5 The Scanning Tunneling Microscope
13.6 Spin Tunneling
13.7 Tunneling in Ammonia Inversion
Problems

14. Comments on Computational Methods

Abstract
14.1 The Fundamental Problem
14.2 The Basis Set
14.3 The Extended Hückel Method
14.4 The Hartree-Fock Self-Consistent Field Approach
14.5 Density Functional Theory
14.6 Epilogue
Problem

References for Further Reading

Answers to Selected Problems

Chapter 1 Origins of Quantum Theory
Chapter 2 Methods of Quantum Mechanics
Chapter 3 Particles in Boxes
Chapter 4 The Hydrogen Atom
Chapter 5 Structure and Properties of More Complex Atoms
Chapter 6 Vibrations and the Harmonic Oscillator
Chapter 7 Molecular Rotation and Spectroscopy
Chapter 8 Bonding and Properties of Diatomic Molecules
Chapter 9 Hückel Molecular Orbital Calculations
Chapter 10 Molecular Structure and Symmetry
Chapter 11 Molecular Spectroscopy
Chapter 12 Molecular Spectroscopy
Chapter 13 Barrier Penetration

ISBN: 9780128092422

Page Count: 372

Retail Price (USD) :

9780128034781; 9780128018910; 9780128015889; 9780444626479; 9780444594365; 9780444537867

Upper-level undergraduate students and graduate students studying quantum mechanics in chemistry or physics; organic chemists using quantum chemistry in their research

Fundamentals of Quantum Mechanics,

Editors: By James E. House

Key Features

About the author

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