K7120030 Quantum Chemistry I

Hiroshima University Syllabus

Japanese

Academic Year 2024Year School/Graduate School School of Engineering

Lecture Code K7120030 Subject Classification Specialized Education

Subject Name 量子化学I

Subject Name
（Katakana）リョウシカガク　１

Subject Name in
English Quantum Chemistry I

Instructor SADAKANE MASAHIRO

Instructor
(Katakana) サダカネ　マサヒロ

Campus Higashi-Hiroshima Semester/Term 2nd-Year, Second Semester, 4Term

Days, Periods, and Classrooms (4T) Tues3-4,Fri3-4：ENG 115

Lesson Style Lecture Lesson Style
(More Details) 　

Lecture, practice

Credits 2.0 Class Hours/Week 　 Language of Instruction B : Japanese／English

Course Level 2 : Undergraduate Low-Intermediate

Course Area（Area） 25 : Science and Technology

Course Area（Discipline） 07 : Chemistry

Eligible Students The second year student of Cluster 3 (applied chemistry program)

Keywords Quantum theory, Schroedinger equation, wavefunction, uncertainty principle, operator, eigenvalue equation and eigenvalue

Special Subject for Teacher Education 　 Special Subject 　

Class Status
within Educational
Program
(Applicable only to targeted subjects for undergraduate students) Students learn basic quantum theory, which is necessary to explain basic physical behaviors at the molecular, atomic and sub-atomic levels and to learn Quantum Chemistry II and III.
Criterion referenced
Evaluation
(Applicable only to targeted subjects for undergraduate students) Program of Applied Chemistry
（Knowledge and Understanding）
・Wide range of basic knowledge on liberal arts and specialized education, and professional basic knowledge on chemistry.
・Advanced technical knowledge of applied chemistry.
・The conception ability based on logical thinking supported by basic and technical knowledge.

Class Objectives
/Class Outline You lean basic quantum theory to explain structure and movements of atoms, molecules, and electrons.
Purposes of this class are 1) to understand basic concept of Schroedinger equation, wavefunctions, uncertainty principle, and 2) to understand apply quantum chemistry to simple movements such as particle in a box, harmonic motion, and rotation.

Class Schedule lesson1：Introduction, photoelectric effect, wave-particle duality, de Broglie relation
lesson2：Schroedinger equation and wavefunction 1
lesson3: Schroedinger equation and wavefunction 2
lesson4: Probability density, eigenvalue equation, operator
lesson5: Superposition of wavefunctions and expectation value
lesson6: Uncertainty principle
lesson7: Middle Exam and explanations
lesson8: Application to a simple system: particle in a box 1
lesson9: Application to a simple system: particle in a box 2
lesson10: Application to a simple system: harmonic motion 1
lesson11: Application to a simple system: harmonic motion 2
lesson12: Application to a simple system: Rotation in 2 dimension
lesson13: Application to a simple system: Rotation in 3 dimension 1
lesson14: Application to a simple system: Rotation in 3 dimension 2
lesson15: Summary and Exercises

Practices and homework in each class. Two examinations.

Text/Reference
Books,etc. Text: Atkins Physical Chemistry, 10th edition, chapter 7 and 8

PC or AV used in
Class,etc. 　

(More Details) Textbook・Handouts・Visual materials (Video/PC/Others）

Learning techniques to be incorporated 　

Suggestions on
Preparation and
Review Enough preparation and review of each class is necessary because many contents are taught in each class.
Lesson 1：Introduction, photoelectric effect, wave-particle duality, de Broglie relation (text 298-307 pages)
Lesson 2：Schroedinger equation and wavefunction 1 (text 308-315 pages)
Lesson 3: Schroedinger equation and wavefunction 2 (text 308-315 pages)
Lesson 4:Probability density, eigenvalue equation, operator (text 316-320 pages)
Lesson 5:Superposition of wavefunctions and expectation value (text 316-323 pages)
Lesson 6:Uncertainty principle (text 316-326 pages)
Lesson 7:Middle exam and explanations (chapter 7)
Lesson 8:Application to a simple system: particle in a box 1 (text 335-341 pages)
Lesson 9:Application to a simple system: particle in a box 2 (text 335-347 pages)
Lesson 10:Application to a simple system: harmonic motion 1 (text 348-355 pages)
Lesson 11:Application to a simple system: harmonic motion 2 (text 348-355 pages)
Lesson 12:Application to a simple system: Rotation in 2 dimension (text 356-361 pages)
Lesson 13:Application to a simple system: Rotation in 3 dimension 1 (text 361-367 pages)
Lesson 14:Application to a simple system: Rotation in 3 dimension 2 (text 361-367 pages)
Lesson 15:Perturbation theory and summary (chapter 8)

Requirements

Grading Method Middle exam (50 point) and final exam (50 point). Total more than 60 points are required.

Practical Experience

Summary of Practical Experience and Class Contents based on it

Message

Other

Please fill in the class improvement questionnaire which is carried out on all classes.
Instructors will reflect on your feedback and utilize the information for improving their teaching.

Academic Year	2024Year	School/Graduate School	School of Engineering
Lecture Code	K7120030	Subject Classification	Specialized Education
Subject Name	量子化学I
Subject Name （Katakana）	リョウシカガク　１
Subject Name in English	Quantum Chemistry I
Instructor	SADAKANE MASAHIRO
Instructor (Katakana)	サダカネ　マサヒロ
Campus	Higashi-Hiroshima	Semester/Term	2nd-Year, Second Semester, 4Term
Days, Periods, and Classrooms	(4T) Tues3-4,Fri3-4：ENG 115
Lesson Style	Lecture	Lesson Style (More Details)
Lecture, practice
Credits	2.0	Class Hours/Week		Language of Instruction	B : Japanese／English
Course Level	2 : Undergraduate Low-Intermediate
Course Area（Area）	25 : Science and Technology
Course Area（Discipline）	07 : Chemistry
Eligible Students	The second year student of Cluster 3 (applied chemistry program)
Keywords	Quantum theory, Schroedinger equation, wavefunction, uncertainty principle, operator, eigenvalue equation and eigenvalue
Special Subject for Teacher Education		Special Subject
Class Status within Educational Program (Applicable only to targeted subjects for undergraduate students)	Students learn basic quantum theory, which is necessary to explain basic physical behaviors at the molecular, atomic and sub-atomic levels and to learn Quantum Chemistry II and III.
Criterion referenced Evaluation (Applicable only to targeted subjects for undergraduate students)	Program of Applied Chemistry （Knowledge and Understanding）・Wide range of basic knowledge on liberal arts and specialized education, and professional basic knowledge on chemistry. ・Advanced technical knowledge of applied chemistry. ・The conception ability based on logical thinking supported by basic and technical knowledge.
Class Objectives /Class Outline	You lean basic quantum theory to explain structure and movements of atoms, molecules, and electrons. Purposes of this class are 1) to understand basic concept of Schroedinger equation, wavefunctions, uncertainty principle, and 2) to understand apply quantum chemistry to simple movements such as particle in a box, harmonic motion, and rotation.
Class Schedule	lesson1：Introduction, photoelectric effect, wave-particle duality, de Broglie relation lesson2：Schroedinger equation and wavefunction 1 lesson3: Schroedinger equation and wavefunction 2 lesson4: Probability density, eigenvalue equation, operator lesson5: Superposition of wavefunctions and expectation value lesson6: Uncertainty principle lesson7: Middle Exam and explanations lesson8: Application to a simple system: particle in a box 1 lesson9: Application to a simple system: particle in a box 2 lesson10: Application to a simple system: harmonic motion 1 lesson11: Application to a simple system: harmonic motion 2 lesson12: Application to a simple system: Rotation in 2 dimension lesson13: Application to a simple system: Rotation in 3 dimension 1 lesson14: Application to a simple system: Rotation in 3 dimension 2 lesson15: Summary and Exercises Practices and homework in each class. Two examinations.
Text/Reference Books,etc.	Text: Atkins Physical Chemistry, 10th edition, chapter 7 and 8
PC or AV used in Class,etc.
(More Details)	Textbook・Handouts・Visual materials (Video/PC/Others）
Learning techniques to be incorporated
Suggestions on Preparation and Review	Enough preparation and review of each class is necessary because many contents are taught in each class. Lesson 1：Introduction, photoelectric effect, wave-particle duality, de Broglie relation (text 298-307 pages) Lesson 2：Schroedinger equation and wavefunction 1 (text 308-315 pages) Lesson 3: Schroedinger equation and wavefunction 2 (text 308-315 pages) Lesson 4:Probability density, eigenvalue equation, operator (text 316-320 pages) Lesson 5:Superposition of wavefunctions and expectation value (text 316-323 pages) Lesson 6:Uncertainty principle (text 316-326 pages) Lesson 7:Middle exam and explanations (chapter 7) Lesson 8:Application to a simple system: particle in a box 1 (text 335-341 pages) Lesson 9:Application to a simple system: particle in a box 2 (text 335-347 pages) Lesson 10:Application to a simple system: harmonic motion 1 (text 348-355 pages) Lesson 11:Application to a simple system: harmonic motion 2 (text 348-355 pages) Lesson 12:Application to a simple system: Rotation in 2 dimension (text 356-361 pages) Lesson 13:Application to a simple system: Rotation in 3 dimension 1 (text 361-367 pages) Lesson 14:Application to a simple system: Rotation in 3 dimension 2 (text 361-367 pages) Lesson 15:Perturbation theory and summary (chapter 8)
Requirements
Grading Method	Middle exam (50 point) and final exam (50 point). Total more than 60 points are required.
Practical Experience
Summary of Practical Experience and Class Contents based on it
Message
Other
Please fill in the class improvement questionnaire which is carried out on all classes. Instructors will reflect on your feedback and utilize the information for improving their teaching.

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