Quantum Chemistry B

Academic unit or major

Undergraduate major in Materials Science and Engineering

Instructor(s)

Satoshi Kaneko

Class Format

Lecture (Face-to-face)

Media-enhanced courses

-

Day of week/Period
(Classrooms)

7-8 Tue

Class

-

Course Code

MAT.P202

Number of credits

100

Course offered

2024

Offered quarter

4Q

Syllabus updated

Mar 17, 2025

Language

Japanese

Syllabus

Course overview and goals

This course builds on the knowledge gained in Quantum Chemistry A (MAT.P201.E). In Quantum Chemistry A, we have learned the theory of bonding that forms the structure of molecules through the formulation of quantum mechanics. This course is designed to provide the quantum chemical knowledge necessary to understand the molecular properties required for materials research. Through the study of the π-electron system of molecules and the interaction between light and matter, students will acquire the fundamental knowledge necessary to understand the electronic and optical properties of molecules, as well as the thinking skills necessary to interpret spectra and understand phenomena.

Course description and aims

[Outcome] In advanced materials science research, it is necessary to learn the system of quantum mechanics that governs the physical phenomena of molecules and atoms, which can be applied to various problems in materials and chemistry to understand how materials come to have the structures and properties they have. The goal of this course is to learn the electronic states of molecules and the selection rules of electronic transitions by applying the approximate solution methods of quantum chemistry learned in Quantum Chemistry A.
[Theme] Quantum mechanics fails to obtain rigorous solutions for complex systems. To overcome these difficulties, many types of approximate methods and techniques have been invented and applied. This course focuses on the applications of perturbation and a variation principle to quantum chemistry problems.

Keywords

π electron system, molecular symmetry, group theory, interaction of light and matter, semi-classical approach, time-dependent Schrödinger equation, time-dependent perturbation, absorption and emission of light, transition probability, spontaneous emission, stimulated emission

Competencies

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

Class flow

Course materials are provided in T2 SCHOLA. Please prepare your own notebook if necessary.

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)

Course materials can be found on T2SCHOLA.

Reference books, course materials, etc.

Yoshiya HARADA, "Quantum Chemistry", Sho-kabo, in Japanese
Peter ATKINS, Physical Chemistry, Oxford

Evaluation methods and criteria

Homework: 20%, Final Exam: 80%.

Related courses

• MAT.A203 ： Quantum Mechanics of Materials
• MAT.P201 ： Quantum Chemistry A

Prerequisites

It is recommended but not required that students take general physics and calculus, matrix/linear algebra, and ordinary differential and partial equations. Enrollment in "Quantum Chemistry A" is desirable.