2020 Advanced Course of Quantum Chemistry

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Academic unit or major
Graduate major in Materials Science and Engineering
Iwamoto Mitsumasa 
Course component(s)
Day/Period(Room No.)
at Tsinghua Univ. (Zoom)  
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Academic year
Offered quarter
Syllabus updated
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Course description and aims

This course is for students in Tokyo Tech-Tsinghua University joint graduate program. The course is held at Tsinghua University in Beijing. Students will study the material science and engineering in terms of the fundamentals and the future development of Quantum Chemistry and its practical applications. This lecture covers the most fundamentals of Quantum Chemistry, which starts from the discovery of the duality of electrons and also of waves. The course teaches fundamentals of Quantum Chemistry. On the basis of the solution of Schrodinger equation on hydrogen atom, general atom, hydrogen molecule, diatomic molecule, polyatomic molecule, π-electron system and others will be discussed. At the same time, students will study many approximation methods which are used for studying materials, and also study how quantum chemistry is used in materials science and engineering, through research topics.

Student learning outcomes

By completing this course, students will be able to:
1) Understand the dualities of electron and wave, and the solution of Schrodinger's equation.
2) Understand the states of particles in one and three dimensional wells, the electron states in hydrogen atom.
3) Understand the angular momentum and spin on the basis of Quantum Chemistry.
4) Explain and discuss general atoms, hydrogen molecules, diatoms , polyatomic molecules, π-electron systems, on the basis of
Quantum chemistry.
5) Explain the technical methods in Quantum Chemistry, such as perturbation method, SCF method, MO method, VB method and others.


Schrodinger Equation, Angular momentum, Spin, Hydrogen atom, diatoms, π-electron systems , perturbation method, MO method, SCF method, VB method

Competencies that will be developed

Specialist skills Intercultural skills Communication skills Critical thinking skills Practical and/or problem-solving skills

Class flow

Lectures, presentations and discussions

Course schedule/Required learning

  Course schedule Required learning
Class 1 Classic theory and Quantum theory Explain classic theory and quantum theory
Class 2 Wave Explain the concept of wave
Class 3 Schrodinger's Equation Explain Schrodinger's equation
Class 4 Fundamentals of Quantum Mechanics Explain fundamentals of quantum mechanics
Class 5 Angular Momentum Explain angular momentum
Class 6 Hydrogen atom Explain hydrogen atom
Class 7 Spin Explain the concept of spin
Class 8 Equivalency of Particles Explain equivalency of particles
Class 9 Approximation Method Explain several approximation methods
Class 10 General atom Explain general atom
Class 11 Hydrogen Molecule Explain hydrogen molecule
Class 12 Diatomic Molecule Explain diatomic molecule
Class 13 Polyatomic Molecule Explain polyatomic molecule
Class 14 π-electron system Explain π-electron system


Yoshiya Harada, Quantum Chemistry I (Shokabo, Tokyo, 2007)
Yoshiya Harada, Quantum Chemistry II (Shokabo, Tokyo, 2007)

Reference books, course materials, etc.

Follow the instruction of lecturer.

Assessment criteria and methods

Presentation, Q and A, Report

Related courses

  • MAT.M407 : Advanced Solid State Physics

Prerequisites (i.e., required knowledge, skills, courses, etc.)

It is desirable that the students have learned general chemistry.

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