課程名稱 |
量子化學材料 Quantum Chemistry of Matherials |
開課學期 |
104-2 |
授課對象 |
工學院 材料科學與工程學系 |
授課教師 |
蔡豐羽 |
課號 |
MSE5031 |
課程識別碼 |
527 U3150 |
班次 |
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學分 |
3 |
全/半年 |
半年 |
必/選修 |
選修 |
上課時間 |
星期三2,3,4(9:10~12:10) |
上課地點 |
新502 |
備註 |
限本系所學生(含輔系、雙修生) 總人數上限:60人 |
Ceiba 課程網頁 |
http://ceiba.ntu.edu.tw/1042MSE5031_ |
課程簡介影片 |
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核心能力關聯 |
核心能力與課程規劃關聯圖 |
課程大綱
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課程概述 |
Course Objective: This course is designed to provide students, both graduate and senior undergraduate, in-depth understanding of the concepts of quantum chemistry that are important to the discipline of materials science and engineering.
Textbooks:
1. I. N. Levine, “Quantum Chemistry”
2. P. Atkins, J. de Paula, “Physical Chemistry”
3. T. Engel, P. Reid, “Physical Chemistry”
4. D. A. McQuarrie, J. D. Simon, “Physical Chemistry: A Molecular Approach”
Course outline:
1. Basic quantum theory
– the quantum mechanical postulate
– the Schrodinger equation
– particle in a box
– harmonic oscillator
– rigid rotor
2. Atomic structure and spectra
– single-electron atoms
– multi-electron atoms – methods of approximation
variation
perturbation
3. Molecular structure
– diatomic molecules
– polyatomic molecules – approximation techniques and computational chemistry
4. Molecular symmetry
5. Photo-Physical Processes and Spectroscopy
– vibrational and rotational spectroscopy
– electronic spectroscopy
– NMR
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課程目標 |
This course is designed to provide students, both graduate and senior undergraduate, in-depth understanding of the concepts of quantum chemistry that are important to the discipline of materials science and engineering. |
課程要求 |
待補 |
預期每週課後學習時數 |
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Office Hours |
另約時間 |
指定閱讀 |
1. I. N. Levine, “Quantum Chemistry”
2. P. Atkins, J. de Paula, “Physical Chemistry”
3. T. Engel, P. Reid, “Physical Chemistry”
4. D. A. McQuarrie, J. D. Simon, “Physical Chemistry: A Molecular Approach” |
參考書目 |
待補 |
評量方式 (僅供參考) |
No. |
項目 |
百分比 |
說明 |
1. |
Midterm exam |
50% |
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2. |
Final exam |
50% |
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週次 |
日期 |
單元主題 |
第1週 |
2/24 |
Initiation
|
第2週 |
3/02 |
Quantum theory |
第3週 |
3/09 |
Quantum theory |
第4週 |
3/16 |
Quantum theory |
第5週 |
3/23 |
Atomic structure and spectra |
第6週 |
3/30 |
Atomic structure and spectra |
第7週 |
4/06 |
Spring break |
第8週 |
4/13 |
Molecular structure |
第9週 |
4/20 |
Molecular structure |
第10週 |
4/27 |
Midterm |
第11週 |
5/04 |
Molecular structure |
第12週 |
5/11 |
Molecular structure |
第13週 |
5/18 |
Molecular symmetry |
第14週 |
5/25 |
Molecular symmetry |
第15週 |
6/01 |
Spectroscopy |
第16週 |
6/08 |
Spectroscopy |
第17週 |
6/15 |
Spectroscopy |
第18週 |
6/22 |
Final exam |
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