2025 (Current Year) Faculty Courses School of Materials and Chemical Technology Undergraduate major in Chemical Science and Engineering
Quantum Chemistry I (Quantum Mechanics) B
- Academic unit or major
- Undergraduate major in Chemical Science and Engineering
- Instructor(s)
- Ryohei Ishige
- Class Format
- Lecture (Face-to-face)
- Media-enhanced courses
- -
- Day of week/Period
(Classrooms) - 7-8 Tue
- Class
- B
- Course Code
- CAP.H205
- Number of credits
- 100
- Course offered
- 2025
- Offered quarter
- 1Q
- Syllabus updated
- Mar 19, 2025
- Language
- Japanese
Syllabus
Course overview and goals
[Summary of the course] Quantum Chemistry I (Quantum Mechanics) and Quantum Chemistry II (Molecular Orbital Theory) introduce the quantum mechanics and its applications to chemistry. This course, Quantum Chemistry I (Quantum Mechanics), treats the fundamental concepts of quantum chemistry including wave functions and quantum theory of translation, harmonic vibration, and rotation．
[Aim of the course] Quantum chemistry is an essential topic to understand structures and reactivities of substances. This course introduces fundamentals of quantum mechanics, which provides the basis of quantum chemistry, and the applications to the physical motions of particles such as translation, harmonic vibration, and rotation. The knowledge would be the basics for learning Quantum Chemistry II (Molecular Orbital Theory).
Course description and aims
At the end of this course, students will be able to:
1) Explain the physical meanings and required nature of wave functions.
2) Explain translation, harmonic vibration, and rotation on the basis of quantum mechanics.
Keywords
wave-particle duality, Schrödinger equation, normalization, quantization, eigenvalue, observable, wave function
Competencies
- Specialist skills
- Intercultural skills
- Communication skills
- Critical thinking skills
- Practical and/or problem-solving skills
Class flow
This course first covers fundamentals in quantum mechanics and chemistry. Students are asked to provide solutions to some small quizzes as necessary. In the last day, final examination is set to assess the level of understanding.
Course schedule/Objectives
| Course schedule | Objectives | |
|---|---|---|
| Class 1 | Origin of quantum mechanics | Explain energy quantization and wave-particle duality. |
| Class 2 | Schrödinger equation and interpretation of wave function | Explain the physical meaning of wave function and Schrödinger equation. |
| Class 3 | Interpretation of operator and observable | Explain operator, eigenvalue, and observable. |
| Class 4 | Quantum theory of translation | Explain translation on the basis of quantum mechanics. |
| Class 5 | Quantum theory of harmonic vibration | Explain harmonic vibration on the basis of quantum mechanics. |
| Class 6 | Quantum theory of rotation | Explain rotation on the basis of quantum mechanics. |
| Class 7 | End-term examination to check the level of understanding of the course contents | Take an examination to check the level of understanding of the course from first to sixth lectures. |
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)
Peter Atkins & Julio de Paula, Physical Chemistry, Tenth edition, Oxford, ISBN: 978-0199697403
Reference books, course materials, etc.
None required.
Evaluation methods and criteria
Final examination (80%), level of class participation (20%) which is assessed by small quizzes and so on.
Related courses
- CAP.H206 ： Quantum Chemistry II (Molecular Orbital Theory)
Prerequisites
No prerequisites.
Contact information (e-mail and phone) Notice : Please replace from ”[at]” to ”@”(half-width character).
Ryohei Ishige: ishige.r.aa[at]m.titech.ac.jp
Office hours
Contact by e-mail in advance to schedule an appointment.
Other
Students in Classes 1 and 2 should take Class [A], and students in Classes 3 and 4 should take Class [B].