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Contents
Contents
A Brief Review of
Elementary Quantum Chemistry
C. David Sherrill
School of Chemistry and Biochemistry
Georgia Institute of Technology
Last Revised on 27 January 2001
Contents
The Motivation for Quantum Mechanics
The Ultraviolet Catastrophe
The Photoelectric Effect
Quantization of Electronic Angular Momentum
Wave-Particle Duality
The Schrödinger Equation
The Time-Independent Schrödinger Equation
The Time-Dependent Schrödinger Equation
Mathematical Background
Operators
Operators and Quantum Mechanics
Basic Properties of Operators
Linear Operators
Eigenfunctions and Eigenvalues
Hermitian Operators
Unitary Operators
Commutators in Quantum Mechanics
Linear Vector Spaces in Quantum Mechanics
Postulates of Quantum Mechanics
Some Analytically Soluble Problems
The Particle in a Box
The Harmonic Oscillator
The Rigid Rotor
The Hydrogen Atom
Approximate Methods
Perturbation Theory
The Variational Method
Molecular Quantum Mechanics
The Molecular Hamiltonian
The Born-Oppenheimer Approximation
Separation of the Nuclear Hamiltonian
Solving the Electronic Eigenvalue Problem
The Nature of Many-Electron Wavefunctions
Matrix Mechanics
Bibliography
About this document ...
David Sherrill 2006-08-15
