理解並掌握量子統計基本原理､概念，計算方法及其在計算化學中的應用，實際電腦操作等。Understand and master the basic principles and concepts of quantum statistics, calculation methods and their applications in computational chemistry, practical computer operations, etc.
1. Register and download Quantum Orca 5.0.4 for Linux, Microsoft Windows, or Mac OS:
https://orcaforum.kofo.mpg.de/app.php/portal
Orca online documents: https://www.orcasoftware.de/tutorials_orca/
2. Dirac, Principle of Quantum Mechanics, 1951;
3. Physical Chemistry, 11th Ed., Peter Atkins and Julio De Paula, Oxford, 2010;
or Physical Chemistry, 3nd Ed., Thomas Engel and Philip Reid, Prentice Hall, 2010;
or Physical Chemistry, 3rd Ed., Robert G. Mortimer, Elsvier, 2008, etc.
4. http://gaussian.com
5. http://webbook.nist.gov/chemistry
6. http://distrowatch.com
1. Register and download Quantum Orca 5.0.4 for Linux, Microsoft Windows, or Mac OS:
https://orcaforum.kofo.mpg.de/app.php/portal
Orca online documents: https://www.orcasoftware.de/tutorials_orca/
2. Dirac, Principle of Quantum Mechanics, 1951;
3. Physical Chemistry, 11th Ed., Peter Atkins and Julio De Paula, Oxford, 2010;
or Physical Chemistry, 3nd Ed., Thomas Engel and Philip Reid, Prentice Hall, 2010;
or Physical Chemistry, 3rd Ed., Robert G. Mortimer, Elsvier, 2008, etc.
4. http://gaussian.com
5. http://webbook.nist.gov/chemistry
6. http://distrowatch.com
| 評分項目 Grading Method | 配分比例 Grading percentage | 說明 Description |
|---|---|---|
| 期中考試期中考試 midterm exam |
50 | 包括書面和电脑操作 |
| Exercises, Projects, Reports and/or Final ExamExercises, Projects, Reports and/or Final Exam exercises, projects, reports and/or final exam |
50 | 平時出席，練習/問答/考試或課題報告等 |
