Advanced Course of Quantum Chemistry

Academic unit or major

Graduate major in Materials Science and Engineering

Instructor(s)

Mitsumasa Iwamoto

Class Format

Lecture

Media-enhanced courses

-

Day of week/Period
(Classrooms)

at Tsinghua Univ.

Class

-

Course Code

MAT.M421

Number of credits

200

Course offered

2021

Offered quarter

3-4Q

Syllabus updated

Jul 10, 2025

Language

English

Syllabus

Course overview and goals

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.

Course description and aims

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.

Keywords

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

Competencies

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

Class flow

Lectures, presentations and discussions

Course schedule/Objectives

Study advice (preparation and review)

To enhance effective learning, students are encouraged to spend approximately 100 minutes preparing for class and another 100 minutes reviewing class content afterwards (including assignments) for each class.
They should do so by referring to textbooks and other course material.

Textbook(s)

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.

Evaluation methods and criteria

Presentation, Q and A, Report

Related courses

• MAT.M407 ： Advanced Solid State Physics

Prerequisites

It is desirable that the students have learned general chemistry.