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2025 (Current Year) Faculty Courses School of Science Department of Chemistry Graduate major in Chemistry

Advanced Quantum Chemistry I

Academic unit or major
Graduate major in Chemistry
Instructor(s)
Masashi Kitajima / Masakazu Yamazaki
Class Format
Lecture
Media-enhanced courses
-
Day of week/Period
(Classrooms)
Class
-
Course Code
CHM.C435
Number of credits
100
Course offered
2025
Offered quarter
4Q
Syllabus updated
Mar 19, 2025
Language
English

Syllabus

Course overview and goals

This course focuses on the understanding of atomic and molecular collisions which is important in understanding the chemical reactions. The course also follows several aspects on atomic and molecular collisions. The indistinguishability of identical particles and the Pauli principle are also included in the course.

Course description and aims

By taking this course, students will acquire the basic knowledge on atomic and molecular collisions. The students will also be able to understand the indistinguishability of identical particles and the Pauli principle.

Keywords

indistinguishability of identical particles, the Pauli principle, atomic and molecular collision, collision cross section, generalized oscillator strength, non-adiabatic transition

Competencies

  • Specialist skills
  • Intercultural skills
  • Communication skills
  • Critical thinking skills
  • Practical and/or problem-solving skills

Class flow

In some classes, students are assigned to excercise problems related to the leture 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 General explanation about this course, the Pauli principle, revisited (the two-body system) Derive the property of the permutation symmetry of two identical particles from the indistinguishability of identical particles.
Class 2 The Pauli principle, revisited (the n-body system) Derive the property of the permutation symmetry of n identical particles from the indistinguishability of identical particles.
Class 3 Chemical reaction and atomic and molecular collisions: Cross sections Understand the relation between the rate constant and the cross section.
Class 4 Collisions of atoms and molecules: wave functions of the continuum states and cross sections in quantum mechanics Understand the quantum view of the collision which is related to the wave functions of the continuum states. Understand also the relation between the wave functions and the cross sections based on the quantum mechanics.
Class 5 Theory of Scattering: method of partial waves Obtain collision cross sections in the method of partial wave
Class 6 Theory of Scattering: the Born approximation Obtain collision cross sections in the Born approximation
Class 7 Theory of Scattering: non-adiabatic transition Understand the concept of non-adiabatic transition

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)

Course materials are provided during class if necessary.

Reference books, course materials, etc.

B. H. Bransden and C. J. Joachain, Physics of atoms and molecules, 2nd Edition, Pearson Education

Evaluation methods and criteria

Grades will be based on final examinations or reports.

Related courses

  • LAS.C105 : Basic Quantum Chemistry
  • CHM.C201 : Introductory Quantum Chemistry
  • CHM.C301 : Introductory Chemical Kinetics
  • CHM.C332 : Quantum Chemistry
  • CHM.C334 : Chemical Kinetics
  • CHM.C401 : Basic Concepts of Physical Chemistry I
  • CHM.C402 : Basic Concepts of Physical Chemistry II

Prerequisites

No prerequisites.