K7121030 Quantum Chemistry II

Hiroshima University Syllabus

Japanese

Academic Year 2024Year School/Graduate School School of Engineering

Lecture Code K7121030 Subject Classification Specialized Education

Subject Name 量子化学II

Subject Name
（Katakana）リョウシカガク　２

Subject Name in
English Quantum Chemistry II

Instructor IMAE ICHIRO

Instructor
(Katakana) イマエ　イチロウ

Campus Higashi-Hiroshima Semester/Term 3rd-Year, First Semester, 1Term

Days, Periods, and Classrooms (1T) Mon3-4：ENG 117, (1T) Fri3-4：ENG 115

Lesson Style Lecture Lesson Style
(More Details) 　

(mainly) lecture, (sometimes) practice

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

Course Level 3 : Undergraduate High-Intermediate

Course Area（Area） 25 : Science and Technology

Course Area（Discipline） 07 : Chemistry

Eligible Students

Keywords Structure of Hydrogenic atoms; Structures of many-electron atoms; Valence-bond theory; Molecular orbital theory; Molecular orbitals for polyatomic systems
[Sustainable Development Goals: SDGs]
4. Quality Education
7. Affordable and Clean Energy
9. Industry, Innovation and Infrastructure
12. Responsible Consumption and Production

Special Subject for Teacher Education 　 Special Subject 　

Class Status
within Educational
Program
(Applicable only to targeted subjects for undergraduate students) related lectures:
Quantum Chemistry I
Exercises in Physical Chemistry
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 The followings should be mastered in this course;
(1) Hydrogenic atoms
(2) Orbital approximation; Structures of many-electron atoms
(3) Born-Oppenheimer approximation
(4) Valence-bond theory; Molecular orbital theory
(5) Molecular orbitals for polyatomic systems

Class Schedule lesson1 Guidance
lesson2 Review
lesson3 The structure and spectra of hydrogenic atoms: Pt.1
lesson4 The structure and spectra of hydrogenic atoms: Pt.2
lesson5 The structure and spectra of hydrogenic atoms: Pt.3 and The structures of many-electron atoms: Pt.1
lesson6 The structures of many-electron atoms: Pt.2
lesson7 The spectra of complex atoms: Pt.1
lesson8 The spectra of complex atoms: Pt.2
lesson9 <Mid-term Exam>
lesson10 The Born-Oppenheimer approximation, and Valence-bond theory
lesson11 Molecular orbital theory: Pt.1
lesson12 Molecular orbital theory: Pt.2
lesson13 Molecular orbital theory: Pt.3
lesson14 Molecular orbitals for polyatomic systems
lesson15 <Term-end Exam>

Solve the exercises in class. Prepare and Review carefully before and after the lectures.

Text/Reference
Books,etc. Peter Atkins and Julio de Paula, "Physical Chemistry" (10th edition)

PC or AV used in
Class,etc. 　

(More Details) Text book, Distributed materials, PowerPoint files

Learning techniques to be incorporated 　

Suggestions on
Preparation and
Review lesson1: prepare and review the relationship between the quantum chemistry and your interesting field.
lesson2: prepare and review "Quantum Chemistry I"
lesson3-5: prepare the contents of "The structure and spectra of hydrogenic atoms".
lesson5-8: prepare the contents of "The structures of many-electron atoms" and "The spectra of complex atoms".
lesson 9: review the contents of chapter 9 (Atkins "Physical Chemistry" 10th edition).
lesson10: prepare the contents of "The Born-Oppenheimer approximation" and "Valence-bond theory".
lesson11-13: prepare the contents of "Molecular orbital theory".
lesson14: prepare the contents of "Molecular orbitals for polyatomic systems".
lesson15: review the contents of chapter 10 (Atkins "Physical Chemistry" 10th edition).

Requirements The lecture will be based mainly on Atkins' "Physical Chemistry" [10th edition]. The 6th and 8th editions of the same book are also acceptable, but please note that the contents of those books are different from the 10th edition in some respects.
The following lectures are recommended prior to this course: "Quantum Chemistry I."
Students in the Applied Chemistry course should continue to take the following lectures: "Exercises in Physical Chemistry.

Grading Method Achievement is evaluated on a 100-point scale by test(s), and a total score of 60 or more is passed.

If the condition of the new coronavirus infection is improved, a face-to-face term-end exam may be conducted.

Practical Experience Experienced

Summary of Practical Experience and Class Contents based on it I have taught this course every year since 2006.

Message 1) This lecture contains a lot of very difficult contents, so you may not be able to follow the lecture if you do not prepare for it to some extent.
2) If you do not understand something, do not put it off, but raise your hand on the spot and ask questions until you understand it.
3) In order to understand the contents of this lecture, not only elements of chemistry but also elements of mathematics (derivatives, integrals, determinants, etc.) are required, so it is recommended that you have sufficient basic knowledge of mathematics.
4) The exercises given during the lectures are very important for understanding the lecture, so you are strongly encouraged to actively participate in the exercises.
5) There will be no fixed office hours, but I plan to be available as needed between 10AM and 5PM on weekdays, so please do not hesitate to ask questions and consult with me actively.
6) The materials related to this lecture will be made available on the web. I encourage students to use these materials to review the lecture.
7) Refrain from talking to themselves during the lecture, as it may disturb other students.
8) You are allowed to use your smartphones for learning purposes related to this lecture (e.g., as a calculator for exercises), but are strictly forbidden to use them for private purposes such as playing games or using social networking services (e.g., LINE and Twitter).
9) If you wish to use your mobile phone for personal use for unavoidable reasons, you must leave the lecture room so as not to disturb other students.
10) You are not allowed to ask questions about the lecture content during the three days just before the examinations. So, if you have any questions, please ask them as early as possible during the lecture time.
11) There is a possibility that classes may be cancelled due to business trips, etc., and make-up classes may be held. You should be careful not to have any personal schedule during the make-up class period.

Other Related URL1: http://home.hiroshima-u.ac.jp/imae/qc2/
Related URL2: https://home.hiroshima-u.ac.jp/imae/index.html
Related URL3: https://www.youtube.com/watch?v=A2tukHhR57c

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	K7121030	Subject Classification	Specialized Education
Subject Name	量子化学II
Subject Name （Katakana）	リョウシカガク　２
Subject Name in English	Quantum Chemistry II
Instructor	IMAE ICHIRO
Instructor (Katakana)	イマエ　イチロウ
Campus	Higashi-Hiroshima	Semester/Term	3rd-Year, First Semester, 1Term
Days, Periods, and Classrooms	(1T) Mon3-4：ENG 117, (1T) Fri3-4：ENG 115
Lesson Style	Lecture	Lesson Style (More Details)
(mainly) lecture, (sometimes) practice
Credits	2.0	Class Hours/Week		Language of Instruction	B : Japanese／English
Course Level	3 : Undergraduate High-Intermediate
Course Area（Area）	25 : Science and Technology
Course Area（Discipline）	07 : Chemistry
Eligible Students
Keywords	Structure of Hydrogenic atoms; Structures of many-electron atoms; Valence-bond theory; Molecular orbital theory; Molecular orbitals for polyatomic systems [Sustainable Development Goals: SDGs] 4. Quality Education 7. Affordable and Clean Energy 9. Industry, Innovation and Infrastructure 12. Responsible Consumption and Production
Special Subject for Teacher Education		Special Subject
Class Status within Educational Program (Applicable only to targeted subjects for undergraduate students)	related lectures: Quantum Chemistry I Exercises in Physical Chemistry
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	The followings should be mastered in this course; (1) Hydrogenic atoms (2) Orbital approximation; Structures of many-electron atoms (3) Born-Oppenheimer approximation (4) Valence-bond theory; Molecular orbital theory (5) Molecular orbitals for polyatomic systems
Class Schedule	lesson1 Guidance lesson2 Review lesson3 The structure and spectra of hydrogenic atoms: Pt.1 lesson4 The structure and spectra of hydrogenic atoms: Pt.2 lesson5 The structure and spectra of hydrogenic atoms: Pt.3 and The structures of many-electron atoms: Pt.1 lesson6 The structures of many-electron atoms: Pt.2 lesson7 The spectra of complex atoms: Pt.1 lesson8 The spectra of complex atoms: Pt.2 lesson9 <Mid-term Exam> lesson10 The Born-Oppenheimer approximation, and Valence-bond theory lesson11 Molecular orbital theory: Pt.1 lesson12 Molecular orbital theory: Pt.2 lesson13 Molecular orbital theory: Pt.3 lesson14 Molecular orbitals for polyatomic systems lesson15 <Term-end Exam> Solve the exercises in class. Prepare and Review carefully before and after the lectures.
Text/Reference Books,etc.	Peter Atkins and Julio de Paula, "Physical Chemistry" (10th edition)
PC or AV used in Class,etc.
(More Details)	Text book, Distributed materials, PowerPoint files
Learning techniques to be incorporated
Suggestions on Preparation and Review	lesson1: prepare and review the relationship between the quantum chemistry and your interesting field. lesson2: prepare and review "Quantum Chemistry I" lesson3-5: prepare the contents of "The structure and spectra of hydrogenic atoms". lesson5-8: prepare the contents of "The structures of many-electron atoms" and "The spectra of complex atoms". lesson 9: review the contents of chapter 9 (Atkins "Physical Chemistry" 10th edition). lesson10: prepare the contents of "The Born-Oppenheimer approximation" and "Valence-bond theory". lesson11-13: prepare the contents of "Molecular orbital theory". lesson14: prepare the contents of "Molecular orbitals for polyatomic systems". lesson15: review the contents of chapter 10 (Atkins "Physical Chemistry" 10th edition).
Requirements	The lecture will be based mainly on Atkins' "Physical Chemistry" [10th edition]. The 6th and 8th editions of the same book are also acceptable, but please note that the contents of those books are different from the 10th edition in some respects. The following lectures are recommended prior to this course: "Quantum Chemistry I." Students in the Applied Chemistry course should continue to take the following lectures: "Exercises in Physical Chemistry.
Grading Method	Achievement is evaluated on a 100-point scale by test(s), and a total score of 60 or more is passed. If the condition of the new coronavirus infection is improved, a face-to-face term-end exam may be conducted.
Practical Experience	Experienced
Summary of Practical Experience and Class Contents based on it	I have taught this course every year since 2006.
Message	1) This lecture contains a lot of very difficult contents, so you may not be able to follow the lecture if you do not prepare for it to some extent. 2) If you do not understand something, do not put it off, but raise your hand on the spot and ask questions until you understand it. 3) In order to understand the contents of this lecture, not only elements of chemistry but also elements of mathematics (derivatives, integrals, determinants, etc.) are required, so it is recommended that you have sufficient basic knowledge of mathematics. 4) The exercises given during the lectures are very important for understanding the lecture, so you are strongly encouraged to actively participate in the exercises. 5) There will be no fixed office hours, but I plan to be available as needed between 10AM and 5PM on weekdays, so please do not hesitate to ask questions and consult with me actively. 6) The materials related to this lecture will be made available on the web. I encourage students to use these materials to review the lecture. 7) Refrain from talking to themselves during the lecture, as it may disturb other students. 8) You are allowed to use your smartphones for learning purposes related to this lecture (e.g., as a calculator for exercises), but are strictly forbidden to use them for private purposes such as playing games or using social networking services (e.g., LINE and Twitter). 9) If you wish to use your mobile phone for personal use for unavoidable reasons, you must leave the lecture room so as not to disturb other students. 10) You are not allowed to ask questions about the lecture content during the three days just before the examinations. So, if you have any questions, please ask them as early as possible during the lecture time. 11) There is a possibility that classes may be cancelled due to business trips, etc., and make-up classes may be held. You should be careful not to have any personal schedule during the make-up class period.
Other	Related URL1: http://home.hiroshima-u.ac.jp/imae/qc2/ Related URL2: https://home.hiroshima-u.ac.jp/imae/index.html Related URL3: https://www.youtube.com/watch?v=A2tukHhR57c
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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