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.
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
5) Explain the technical methods in Quantum Chemistry, such as perturbation method, SCF method, MO method, VB method and others.
Schrodinger Equation, Angular momentum, Spin, Hydrogen atom, diatoms, π-electron systems , perturbation method, MO method, SCF method, VB method
|Intercultural skills||Communication skills||Specialist skills||Critical thinking skills||Practical and/or problem-solving skills|
Lectures, presentations and discussions
|Course schedule||Required learning|
|Class 1||Classic theory and Quantum theory||Explain classic theory and quantum theory|
|Class 2||Wave||Explain the concept of wave|
|Class 3||Schrodinger's Equation||Explain Schrodinger's equation|
|Class 4||Fundamentals of Quantum Mechanics||Explain fundamentals of quantum mechanics|
|Class 5||Angular Momentum||Explain angular momentum|
|Class 6||Hydrogen atom||Explain hydrogen atom|
|Class 7||Spin||Explain the concept of spin|
|Class 8||Equivalency of Particles||Explain equivalency of particles|
|Class 9||Approximation Method||Explain several approximation methods|
|Class 10||General atom||Explain general atom|
|Class 11||Hydrogen Molecule||Explain hydrogen molecule|
|Class 12||Diatomic Molecule||Explain diatomic molecule|
|Class 13||Polyatomic Molecule||Explain polyatomic molecule|
|Class 14||π-electron system||Explain π-electron system|
|Class 15||Topics||Explain topics on quantum chemistry|
Yoshiya Harada, Quantum Chemistry I (Shokabo, Tokyo, 2007)
Yoshiya Harada, Quantum Chemistry II (Shokabo, Tokyo, 2007)
Follow the instruction of lecturer.
Presentation, Q and A, Report
It is desirable that the students have learned general chemistry.