2021 Faculty Courses School of Materials and Chemical Technology Undergraduate major in Materials Science and Engineering
Quantum Mechanics of Materials b
- Academic unit or major
- Undergraduate major in Materials Science and Engineering
- Instructor(s)
- Takehiko Mori / Masaki Azuma / Yoshihiro Gohda / Kan Nakatsuji / Ken Ishikawa
- Class Format
- Lecture
- Media-enhanced courses
- -
- Day of week/Period
(Classrooms) - 1-2 Mon (S621) / 1-2 Thu (S621)
- Class
- b
- Course Code
- MAT.A203
- Number of credits
- 200
- Course offered
- 2021
- Offered quarter
- 1Q
- Syllabus updated
- Jul 10, 2025
- Language
- Japanese
Syllabus
Course overview and goals
I. Why quantum mechanics is necessary? Basic concepts of quantum mechanics. Apply quantum mechanics to individual examples.
II. Apply quantum mechanics to hydrogen atom in order to understand atomic orbitals and periodical table of elements.
III. Apply quantum mechanics to chemical bond in order to learn covalent bond, and know π-orbital and hybrid orbitals. Learn how to calculate molecular orbitals of π conjugated systems based on the Huckel method.
Course description and aims
Basic quantum mechanics in order to understand periodic table of elements and chemical bond
(1) Why quantum mechanics is necessary?
(2) Schrodinger equation and wave function
(3) Atomic orbitals and periodic table
(4) Covalent bond
(5) Polar bond, σ-bond, π-bond, and hybridization
(6) Calculation of molecular orbitals of π conjugated system based on the Huckel method
Keywords
Schrodinger equation, Wave function, Molecular orbital, Hybrid orbital, Huckel method
Competencies
- Specialist skills
- Intercultural skills
- Communication skills
- Critical thinking skills
- Practical and/or problem-solving skills
Class flow
You will encounter many unfamiliar concepts in quantum mechanics, but you are encouraged to be accustomed to these concepts in the lectures. These concepts are necessary to understand periodic table and chemical bond, which are so important in chemistry and materials science.
Course schedule/Objectives
| Course schedule | Objectives | |
|---|---|---|
| Class 1 | Dynamics of microscopic systems |
|
| Class 2 | The principles of quantum theory |
|
| Class 3 | Superpositions and the uncertainty principle |
|
| Class 4 | Confined motion in one and two dimensions |
|
| Class 5 | Tunneling and the harmonic oscillator |
|
| Class 6 | Rotation in two and three dimensions |
|
| Class 7 | Hydrogen atom and periodic table |
|
| Class 8 | Midterm exam |
|
| Class 9 | Hydrogen molecule |
Understand the basic molecular orbital theory |
| Class 10 | Bonding and antibonding orbitals |
Understand the bonding and antibonding orbitals |
| Class 11 | Covalent bond |
Understand the covalent bond |
| Class 12 | Polar bond |
Explain the polar bond |
| Class 13 | Diatomic molecules and σ and π orbitals |
Understand the molecular orbitals of diatomic molecules |
| Class 14 | Hybridization and polyatomic molecules |
Distinguish hybrid orbitals of carbon atoms in molecules |
| Class 15 | Conjugated π systems |
Calculate molecular orbitals of π-conjugated molecules using the Huckel method |
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)
Atkins "Physical Chemistry" Ed. 10, Chapters 7-10.
Reference books, course materials, etc.
None
Evaluation methods and criteria
Quiz and examination
Related courses
- LAS.C105 ： Basic Quantum Chemistry
- MAT.P201 ： Quantum Chemistry A
- MAT.P202 ： Quantum Chemistry B
- MAT.C201 ： Inorganic Quantum Chemistry
Prerequisites
No prerequisites