2024 Faculty Courses School of Materials and Chemical Technology Department of Materials Science and Engineering Graduate major in Materials Science and Engineering
Advanced Course of Quantum Chemistry
- Academic unit or major
- Graduate major in Materials Science and Engineering
- Instructor(s)
- Ken Nakajima
- Class Format
- Lecture (Livestream)
- Media-enhanced courses
- -
- Day of week/Period
(Classrooms) - at Tsinghua Univ.
- Class
- -
- Course Code
- MAT.M421
- Number of credits
- 200
- Course offered
- 2024
- Offered quarter
- 3-4Q
- Syllabus updated
- Mar 14, 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 or via online. 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
| Course schedule | Objectives | |
|---|---|---|
| Class 1 | The foundations of quantum mechanics |
Explain the foundations of quantum mechanics |
| Class 2 | Linear motion and the harmonic oscillator |
Explain Linear motion and the harmonic oscillator |
| Class 3 | Rotational motion and the hydrogen atom |
Explain rotational motion and the hydrogen atom |
| Class 4 | Angular momentum |
Explain angular momentum |
| Class 5 | Group theory |
Explain group theory |
| Class 6 | Techniques of approximation |
Explain techniques of approximation |
| Class 7 | Atomic spectra and atomic structure |
Explain atomic spectra and atomic structure |
| Class 8 | An introduction to molecular structure |
Explain molecular structure |
| Class 9 | The calculation of electronic structure |
Explain the calculation of electronic structure |
| Class 10 | Molecular rotations and vibrations |
Explain molecular rotations and vibrations |
| Class 11 | Molecular electronic transitions |
Explain molecular electronic transitions |
| Class 12 | The electric properties of molecules |
Explain the electric properties of molecules |
| Class 13 | The magnetic properties of molecules |
Explain the magnetic properties of molecules |
| Class 14 | Scattering theory |
Explain scattering theory |
Study advice (preparation and review)
To enhance effective learning, students are encouraged to prepare for class and to review class content afterwards (including assignments) for each class. They should do so by referring to textbooks and other course material.
Textbook(s)
P. Atkins and R. Friedman, Molecular Quantum Mechanics 5th Edition (Oxford 2011)
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
- CAP.P494 ： Advanced Nano Science
Prerequisites
It is desirable that the students have learned general chemistry.