Quantum Chemistry

ISBN-10: 1891389505
ISBN-13: 9781891389504
Edition: 2nd 2007 (Revised)
List price: $108.00 Buy it from $21.18 Rent it from $20.58
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Description: This is a thorough update of the classic text of the same title by Donald McQuarrie.

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Book details

List price: $108.00
Edition: 2nd
Copyright year: 2007
Publisher: University Science Books
Publication date: 8/1/2007
Binding: Hardcover
Pages: 690
Size: 7.00" wide x 10.25" long x 1.75" tall
Weight: 3.146

This is a thorough update of the classic text of the same title by Donald McQuarrie.

Preface to the Second Edition
The Dawn of the Quantum Theory
Blackbody Radiation
Planck's Quantum Hypothesis
The Photoelectric Effect
Vibrations of Atoms in Crystals
The Hydrogen Atomic Spectrum
The Rydberg Formula
Angular Momentum
Quantized Angular Momentum
Reduced Mass
De Broglie Waves
The Relation between de Broglie Waves and Quantized Angular Momentum
De Broglie Waves Observed
Two-Slit Experiments
The Heisenberg Uncertainty Principle
Problems
References
Complex Numbers
Problems
The Classical Wave Equation
The One-Dimensional Classical Wave Equation
Separation of Variables
Oscillatory Solutions to Differential Equations
Superposition of Normal Modes
A Vibrating Membrane
Interference of Waves
Problems
References
Probability and Statistics
Problems
The Schrodinger Equation and a Particle in a Box
The Schrodinger Equation
Linear Operators in Quantum Mechanics
Eigenvalue Problems In Quantum Mechanics
Wave Functions and Their Probabilistic Interpretation
Quantized Energies
Normalized Wave Functions
Average Quantities in Quantum Mechanics
The Uncertainty Principle and Operators
Particle in a Three-Dimensional Box
Problems
References
Vectors
Problems
The Postulates and General Principles of Quantum Mechanics
State Functions
Quantum-Mechanical Operators and Classical Variables
Observable Quantities and Eigenvalues
Commutators and the Uncertainty Principle
Hermitian Operators
Hermitian Operators and Orthogonality
Commuting Operators and Mutual Eigenfunctions
Probabilty of a Measurement and Fourier Coefficients
The Time-Dependent Schrodinger Equation
Quantum Mechanics and the Two-Slit Experiment
Problems
References
Series and Limits
Problems
The Harmonic Oscillator and Vibrational Spectroscopy
Classical Harmonic Oscillator
Conservation of Energy of a Classical Harmonic Oscillator
Harmonic-Oscillator Model of a Diatomic Molecule
The Harmonic-Oscillator Approximation
The Energy Levels of a Quantum-Mechanical Harmonic Oscillator
Infrared Spectra of Diatomic Molecules
Overtones in Vibrational Spectra
Harmonic-Oscillator Wave Functions
Parity of Hermite Polynomials
Relations Among Hermite Polynomials
Normal Coordinates
Harmonic-Oscillator Selection Rule
Operator Method Solution to the Schrodinger Equation for a Harmonic Oscillator
Problems
References
Spherical Coordinates
Problems
The Rigid Rotator and Rotational Spectroscopy
The Energy Levels of a Rigid Rotator
The Rigid Rotator Model of a Diatomic Molecule
Rotation-Vibrational Spectra
Rotation-Vibration Interaction
A Nonrigid Rotator
Spherical Harmonics
Rigid-Rotator Selection Rule
Angular Momentum and Measurements
Determination of the Eigenvalues of L[superscript 2] and L[subscript z] by Operator Methods
Problems
References
Determinants
Problems
The Hydrogen Atom
The Schrodinger Equation for a Hydrogen Atom
s Orbitals
p Orbitals
The Zeeman Effect
Electron Spin
Spin-Orbit Interaction
Hydrogen Atomic Term Symbols
The Zeeman Effect Revisited
The Schrodinger Equation for a Helium Atom
Problems
References
Matrices
Problems
Approximation Methods
The Variational Method
Trial Functions That Depend Linearly on Variational Parameters
Trial Functions That Depend Nonlinearly on Variational Parameters
Introduction to Perturbation Theory
First-Order Pertubation Theory
Selection Rules and Time-Dependent Perturbation Theory
Problems
References
Matrix Eigenvalue Problems
Problems
Many-Electron Atoms
Atomic Units
Classic Calculations on a Helium Atom
Hartree-Fock Equations for a Helium Atom
Antisymmetry of Electronic Wave Functions
Slater Determinants
The Hartree-Fock-Roothaan Method
Hartree-Fock-Roothaan Results for Atoms
Correlation Energy
Atomic Term Symbols
Addition of Angular Momenta
Hund's Rules
Atomic Term Symbols and Atomic Spectra
Russell-Saunders Coupling
An SCF Calculation of a Helium Atom
Problems
References
The Chemical Bond: One- and Two-Electron Molecules
The Born-Oppenheimer Approximation
The Hydrogen Molecular Ion, [Characters not reproducible]
Molecular Orbitals Constructed from a Linear Combination of Atomic Orbitals
Bonding and Antibonding Orbitals
Molecular Orbital Theory and the Virial Theorem
Polarization Terms in Basis Sets
The Schrodinger Equation for H[subscript 2]
Molecular Orbital Theory Results for H[subscript 2]
Configuration Interaction
An SCF Calculation on H[subscript 2]
Molecular Orbital Theory of H[subscript 2]
Problems
References
Qualitative Theory of Chemical Bonding
Molecular Orbitals
Molecular Electron Configurations
Molecular Orbital Theory and Heteronuclear Diatomic Molcules
Molecular Term Symbols
Molecular Term Symbols and Symmetry Properties
The [pi]-Electron Approximation
Huckel Molecular Orbital Theory and Bond Orders
Huckel Molecular Orbital Theory in Matrix Notation
Problems
References
The Hartree-Fock-Roothaan Method
The Hartree-Fock-Roothaan Equations
Minimal Gaussian Basis Sets
Extended Gaussian Basis Sets
Basis Sets with Orbital Polarization Terms
Using Gaussian 03 and WebMO
Hartree-Fock-Roothaan Results
Post-Hartree-Fock Methods
Problems
References
References for Post-Hartree-Fock Methods
Answers to the Numerical Problems
Index
Illustration Credits

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