2024 Advanced Quantum Chemistry II

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Academic unit or major
Graduate major in Chemistry
Instructor(s)
Yamazaki Masakazu  Kitajima Masashi 
Class Format
Lecture     
Media-enhanced courses
Day/Period(Room No.)
-
Group
-
Course number
CHM.C436
Credits
1
Academic year
2024
Offered quarter
4Q
Syllabus updated
2024/3/14
Lecture notes updated
-
Language used
English
Access Index

Course description and aims

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.

Student learning outcomes

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 that will be developed

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/Required learning

  Course schedule Required learning
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

Out-of-Class Study Time (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)

Assessment criteria and methods

(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 (i.e., required knowledge, skills, courses, etc.)

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.

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