| Academic Year |
2024Year |
School/Graduate School |
School of Science |
| Lecture Code |
HJ255000 |
Subject Classification |
Specialized Education |
| Subject Name |
量子化学 |
Subject Name
（Katakana） |
リョウシカガク |
Subject Name in
English |
Quantum Chemistry |
| Instructor |
TAKAHASHI OSAMU |
Instructor
(Katakana) |
タカハシ オサム |
| Campus |
Higashi-Hiroshima |
Semester/Term |
3rd-Year, First Semester, 2Term |
| Days, Periods, and Classrooms |
(2T) Weds3-4,Fri5-6：SCI E104 |
| Lesson Style |
Lecture |
Lesson Style
(More Details) |
|
| lecture, power point |
| 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 |
molecular orbital theory, electronic structure calculation, computational chemistry |
| Special Subject for Teacher Education |
|
Special Subject |
|
Class Status
within Educational
Program
(Applicable only to targeted subjects for undergraduate students) | Learn the theoretical basis of chemistry, continuously from Physical Chemistry IB and Physical Chemistry IIB |
|---|
Criterion referenced
Evaluation
(Applicable only to targeted subjects for undergraduate students) | Chemistry
（Knowledge and Understanding）
・Understanding and learning advanced expertise in several chemical and interdisciplinary areas. |
|---|
Class Objectives
/Class Outline |
the basics of quantum chemistry |
| Class Schedule |
lesson1 Qualitative molecular orbital theory
lesson2 Huckel MO theory: part 1
lesson3 Huckel MO theory: part 2
lesson4 Group theory and quantum chemistry
lesson5 Quantitative molecular orbital theory
lesson6 Hartree-Fock method
lesson7 Restricted Hartree-Fock method, Roothaan-Hall method
lesson8 Expectation values of physical quantities
lesson9 Beyond the Hartree-Fock theory
lesson10 Density functional theory
lesson11 Electron density
lesson12 Equilibrium geometry of molecule
lesson13 Verious examples
lesson14 Transition state of reaction
lesson15 review |
Text/Reference
Books,etc. |
handmade prints |
PC or AV used in
Class,etc. |
|
| (More Details) |
Text, etc |
| Learning techniques to be incorporated |
|
Suggestions on
Preparation and
Review |
read related references |
| Requirements |
|
| Grading Method |
homework (40%) + final examination (60%) |
| 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. |