2024 Faculty Courses School of Science Department of Chemistry Graduate major in Chemistry
Advanced Quantum Chemistry II
- Academic unit or major
- Graduate major in Chemistry
- Instructor(s)
- Masakazu Yamazaki / Masashi Kitajima
- Class Format
- Lecture (Face-to-face)
- Media-enhanced courses
- -
- Day of week/Period
(Classrooms) - 3-4 Tue
- Class
- -
- Course Code
- CHM.C436
- Number of credits
- 100
- Course offered
- 2024
- Offered quarter
- 4Q
- Syllabus updated
- Mar 14, 2025
- Language
- English
Syllabus
Course overview and goals
This course focuses on electronic states of molecules in the latest research fields of physical chemistry. Some basic knowledge, theories and advanced experimental methodology are taught to understand modern topics of physical chemistry.
Course description and aims
By the end of this course, students will be able to understand how to experimentally study the electronic structures of a molecule.
Keywords
molecular orbital, electronic wavefunction, electron correlation, potential energy surface, electron spectroscopy
Competencies
- Specialist skills
- Intercultural skills
- Communication skills
- Critical thinking skills
- Practical and/or problem-solving skills
Class flow
The lecture will be given based on lecture note provided via T2SCHOLA.
In some classes, students are assigned to exercise problems related to the lecture given that day to solve.
To prepare for class, students should read the course schedule section and check what topics will be covered.
Course schedule/Objectives
| Course schedule | Objectives | |
|---|---|---|
| Class 1 | Molecular orbital theory and Hartree-Fock method | Understand the essential parts of molecular orbital theory |
| Class 2 | Electron correlation and configuration interaction | Understand electron correlation and post-Hartree Fock theory |
| Class 3 | Electronic wavefunction and molecular vibrations | Understand vibronic coupling and Jahn-Teller effect |
| Class 4 | Potential energy surface and photochemical reaction | Understand potential energy surface and how to describe photochemical reaction at microscopic level |
| Class 5 | Basic principles of electron spectroscopy | Learn basic principles and apparatuses of electron spectroscopy |
| Class 6 | Recent advances in electron spectroscopy and molecular orbital imaging | Overview the recent experimental developments for studying electronic wavefunctions |
| Class 7 | (e,2e) electron momentum spectroscopy | Learn about the principle and examples of (e,2e) electron momentum spectroscopy |
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)
None required
Reference books, course materials, etc.
Lecture notes are provided during class.
Reference book: P.W.Atkins / Physical chemistry (Oxford University Press)
Evaluation methods and criteria
(1) Students will be assessed on their understanding of physicochemical properties of atoms, molecules and molecular systems
on the basis of advanced theories in surface chemistry, and their ability to apply them to solve problems.
(2) Student's course score is based on final report (80%) and activities and exercise problems in class （20%）.
Related courses
- CHM.C401 ： Basic Concepts of Physical Chemistry I
- CHM.C402 ： Basic Concepts of Physical Chemistry II
- CHM.C431 ： Advanced Physical Chemistry
Prerequisites
No prerequisites.
Contact information (e-mail and phone) Notice : Please replace from ”[at]” to ”@”(half-width character).
Masakazu Yamazaki: yamazaki[at]chem.titech.ac.jp
Masashi Kitajima: mkitajim[at]chem.titech.ac.jp
Office hours
Contact by email in advance to schedule an appointment.
Other
See “Other” section in Japanese syllabus.