Quantum Chemistry

Chapter 1: The Dawn of the Quantum Theory(Exercises)

Chapter 2: The Classical Wave Equation (Exercises)

Chapter 3: The Schrodinger Equation and a Particle In a Box (Exercises)
Chapter 4: The Postulates and General Principles of Quantum Mechanics(Exercises)
Chapter 5: The Harmonic Oscillator and Vibrational Spectroscopy (Exercises)
Chapter 6: The Rigid Rotator and Rotational Spectroscopy (Exercises)
Chapter 7: The Hydrogen Atom (Exercises)
Chapter 8: Approximation Methods (Exercises)
Chapter 9: Many-Electron Atoms (Exercises)
Chapter 10:The Chemical Bond: One- and Two-Electron Molecules (Exercises)
Chapter 11:Qualitative Theory of Chemical Bonding (Exercises)
Chapter 12:The Hatree-Fock-Roothaan Method (Exercises)
Modern Quantum Chemistry. Introduction to Advanced Electronic Structure Theory
Attila Szabo; Neil S. Ostlund Dover Publications, Inc. 1996
Quantum Chemistry (Fifth Ed.) Ira N. Levine Prentice Hall, Inc. 2000
Molecular Quantum Mechanics (Third Ed.) P. W. Atkins; R. S. Friedman Oxford University Press Inc. 1997

量子化学-基本原理和从头计算法 徐光宪 黎乐民 王德民 科学出版社,2001
量子化学 唐敖庆 等 科学出版社,1982
Advanced Physical Chemistry


Teachers:Shuhua Li:

                 Yanzi Zhou :

                 Wei Li:

Syllabus:中文版    English      

Book:《Physical Chemistry:A Molecular Approach
                      Donald A. McQuarrie, John D. Simon, 
                      University Science Books, 1997


Chapter 1 The Dawn of the Quantum Theory (Exercises)
MathChapter A Complex Numbers
Chapter 2 The Classical Wave Equation (Exercises)
MathChapter B Probability and Statics
Chapter 3 Some Postulates and General Principles of Quantum Mechanics(Exercises)
MathChapter C Vectors
Chapter 4 The Schrödinger Equation and a Particle In a Box (Exercises)
MathChapter D Spherical Coordinates
Chapter 5 The Harmonic Oscillator and the Rigid Rotator: Two Spectroscopic 
Models (Exercises)
Chapter 6 The Hydrogen Atom (Exercises)
MathChapter E Determinants
Chapter 7 Approximation Methods (Exercises)
Chapter 8 Multielectron Atoms (Exercises)
Chapter 9 The Chemical Bond: Diatomic Molecules (Exercises)
Chapter 10 Bonding In Polyatomic Molecules (Exercises)
Chapter 11 Computational Quantum Chemistry (Exercises)
MathChapter F Matrices
Chapter 12 Group Theory: The Exploitation of Symmetry
Chapter 13 Molecular Spectroscopy
Chapter 14 Nuclear Magnetic Resonance Spectroscopy
Chapter 15 Lasers, Laser Spectroscopy, and photochemistry
MathChapter G Numerical Methods
Chapter 16 The Properties of Gases
MathChapter H Partial Differentiation
Chapter 17 The Boltzmann Factor and Partition Functions
MathChapter I Series and Limits
Chapter 18 Partition Functions and Ideal Gases
Chapter 19 The First Law of Thermodynamics
MathChapter J The Binomial Distribution and Stirling’s Approximation
Chapter 20 Entropy and the Second Law of Thermodynamics
Chapter 21 Entropy and the Third Law of Thermodynamics
Chapter 22 Helmholtz and Gibbs Energies
Chapter 23 Phase Equilibria
Chapter 24 Solution Ⅰ: Liquid-Liquid Solutions
Chapter 25 Solution Ⅱ : Solid-Liquid Solutions
Chapter 26 Chemical Equilibrium
Chapter 27 The Kinetic Theory of Gases 
Chapter 28 Chemical Kinetics Ⅰ:Rate Laws 
Chapter 29 Chemical Kinetics Ⅱ: Reaction Mechanisms
Chapter 30 Gas-Phase Reaction Dynamics
Chapter 31 Solids and Surface Chemistry


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