Chemical Theory I (for the central science class)


For 2nd-year undergraduate students of CCCE.(面向化学系二年级学生)



A. Introduction

In this course, you will learn the basic theory of quantum mechanism regarding such microscopic systems as atom, molecule, oscillators, rotors etc, as well as the symmetry and bonding of molecules! We assume that you have learnt the very part "Shape and Structure of Molecules" in the 1st-year course "Fundamental Chemistry I" or "General Chemistry".


  1. 量子力学基础 (Basic Theory of Quantum Mechanism)
  2. 分子光谱理论 (Theory of Molecular spectroscopy)
  3. 对称性与成键 (Symmetry and Bonding)

Note that the concepts contained in this course partially overlap with those of another course, Structural Chemistry.



C. Text Book, Reference Books and Online Sources

  1. 结构化学(第二版)厦门大学化学系物构组编,林梦海、谢兆雄执笔 (附书中各章节习题汇总习题选答汇总)

  2. 结构化学精品课程在线教程及部分习题解答 (厦门大学化学系物构组编)

  3. Physical Chemistry, edited by P.W. Atkins, online exercises and answers are availalbe at Chem.libretexts.org.

  4. Physical Chemistry: A Molecular Approach, McQuarrie and Simon, online book, exercises and answers are availalbe at Chem.libretexts.org.

  5. 结构化学基础, 周公度编著, 北京大学出版社

  6. 结构化学基础习题解析周公度、段连运著

  7. 化学键的本质, 鲍林

  8. Chemical Applications of Group Theory, by F.A. Cotton.



D. Parts, Chapters & PPTs

Note: a) CTU = Class-Time Unit); b) PPTs are updated timely.

Part I. Basic concepts of Quantum mechanics (Lectured by PFS)

  1. Chapter 1: The Basic Concepts of Quantum Mechanics (2 CTUs)

  2. Chapter 2: Some Simple Cases (2 CTUs)

  3. Chapter 3: Operators in Quantum Mechanics (1 CTUs)

  4. Chapter 4: Angular Momentum (1 CTUs)

  5. Chapter 5: The Hydrogen atoms (1 CTUs)

  6. Chapter 6: Many-electron atoms (2 CTUs)

  7. Chapter 7: Approximate methods-the Variation Method (1 CTUs)

  8. Chapter 8: Diatomic molecules (2 CTUs)


Part II. Molecular Spectroscopy (3 CTUs, lectured by XL)


Part III. Symmetry and Bonding(lectured by XL)

  1. Chapter 1: Symmetry and Point Group 对称性与点群 (1 CTUs)

  2. Chapter 2: Representations 群表示 (2 CTU)

  3. Chapter 3: Direct Products 直积 (0.5 CTU)

  4. Chapter 4: Vanishing Integrals 零积分 (0.5 CTU)

  5. Chapter 5: Molecular Orbitals 分子轨道 (3 CTUs)

  6. Chapter 6: Huckel Molecular Orbitals 休克尔分子轨道 (2 CTUs)

    and a complementary part regarding the Graphical Representations of HMOs .

  7. Chapter 7: Normal Modes 简正模 (2 CTUs)

  8. Chapter 8: Miscellany 其它 (1 CTU)


E. After-class Assignments

请自行下载Part II(MS)习题Part III(S&B)习题 以及日常作业及考试时可用的工具手册

  1. AA1 ~ MS: Exs. 1-5,

  2. AA2 ~ MS: Exs. 6,8,10,12,16

  3. AA3 ~ MS: Exs.17,19-21

  4. AA4 ~ S&B: Exs.1, 3bc,4egi

  5. AA5 ~ S&B: Exs.5-7

  6. AA6 ~ S&B: Exs.8a,11,12ab,13

  7. AA7 ~ S&B: Ex.14-16, 17(optional)

  8. AA8 ~ S&B: Exs. 18-20

  9. AA9 ~ S&B: Exs.22-24

  10. AA10 ~ S&B: Exs. 25,26

  11. AA11 ~ S&B: Exs. 28,29,31

  12. AA12 ~ S&B: Exs. 32,33

  13. AA13 ~ S&B: Exs. 34,36,38

  14. AA14 ~ Reviewing!










Contact Dr. Xin Lu:
E-mail: xinlu@xmu.edu.cn
Phone: (0592)-2181600
Office: Zengchengkui Building B301, #182 Daxue road, Siming District, Xiamen.