[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).
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.
wave-particle duality, Schrödinger equation, normalization, quantization, eigenvalue, observable, wave function
✔ Specialist skills | Intercultural skills | Communication skills | Critical thinking skills | Practical and/or problem-solving skills |
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 | Required learning | |
---|---|---|
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. |
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.
Peter Atkins & Julio de Paula, Physical Chemistry, Tenth edition, Oxford, ISBN: 978-0199697403
None required.
Final examination (80%), level of class participation (20%) which is assessed by small quizzes and so on.
No prerequisites.
Yoshitaka Tateyama tateyama.y.aa[at]m.titech.ac.jp
Contact by e-mail in advance to schedule an appointment.
Students in Classes 1 and 2 should take Class [A], and students in Classes 3 and 4 should take Class [B].