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課程名稱 |
量子化學特論
SPECIAL TOPICS IN QUANTUM CHEMISTRY |
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開課學期 |
98-2 |
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授課對象 |
理學院 化學所化學生物學組 |
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授課教師 |
金必耀 |
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課號 |
Chem5010 |
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課程識別碼 |
223 U0340 |
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班次 |
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學分 |
2 |
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全/半年 |
半年 |
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必/選修 |
選修 |
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上課時間 |
星期一3,4(10:20~12:10) |
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上課地點 |
新301 |
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備註 |
本課程中文授課,使用英文教科書。外系所學生學選須經授課教師同意。
限學士班三年級以上 且 限本系所學生(含輔系、雙修生)
總人數上限：60人 |
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Ceiba 課程網頁 |
http://ceiba.ntu.edu.tw/982stquanchem |
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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 |
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課程大綱
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為確保您我的權利,請尊重智慧財產權及不得非法影印
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課程概述 |
In this course, we will offer an introduction to nanotechnology from the perspective of theoretical chemistry point of view for the first year of graduate or senior undergraduate studies. The topics will be covered include the basics of molecular quantum chemistry, magnetic and optical properties of nano-scaled materials, and quantum transport through a single molecular electronic device.
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課程目標 |
The objective of this course is to introduce students to the field of molecular electronic structures and molecular electronics by applying methods of quantum chemistry. Students will understand the relationship of the current research in nanotechnology to more well-established scientific principle. |
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課程要求 |
Introductory quantum chemistry or related courses on quantum mechanics |
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預期每週課後學習時數 |
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Office Hours |
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指定閱讀 |
A. Szabo and N. S. Ostlund Modern Quantum Chemistry McGraw-Hill, 1993. |
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參考書目 |
1. C. Cohen-Tannoudji, B. Diu, F. Laloe, Quantum Mechanics.
2. M. D. Fayer, Elements of Quantum Mechanics.
3. George C. Schatz & Mark A. Ratner, Quantum Mechanics in
Chemistry, Dover 2002.
4. R. McWeeny, Methods of Molecular Quantum Mechanics, 2nd Ed.
5. A. M. Stoneham, Theory of Defects in Solid. |
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評量方式
(僅供參考) |
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週次 |
日期 |
單元主題 |
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第1週 |
2/22 |
Review of Basic Quantum Mechanics
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第2週 |
3/01 |
Time-Dependent Perturbation Theory
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第3週 |
3/08 |
The Interaction between Light and Matter
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第4週 |
3/15 |
Absorption, Emission and Other Optical Processes
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第5週 |
3/22 |
Adiabatic and Born-Oppenheimer Approximation
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第6週 |
3/29 |
Molecular Vibration, Normal Modes and Phonons
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第7週 |
4/05 |
Vibronic Couplings and Jahn-Teller Effect
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第8週 |
4/12 |
Many-Electron Systems: Occupation Number Representation and Second-Quantization |
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第9週 |
4/19 |
Midterm |
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第10週 |
4/26 |
Independent Electron Systems: Huckel Model and Tight-Binding Approximation |
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第11週 |
5/03 |
Electron-Electron Interactions: Ab Initio vs. Semi-Empirical Approaches
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第12週 |
5/10 |
Self-Consisten Field Theory: Hartree-Fock Approximation, Unrestricted HF and Stability of HF solution |
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第13週 |
5/17 |
Configuration Interaction |
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第14週 |
5/24 |
Excited States and Exciton Theory |
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第15週 |
5/31 |
Many-Body Perturbation Theory
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第16週 |
6/07 |
Quantum Transport: Molecules in Contact with Two Electrodes
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第17週 |
6/14 |
Density Functional Theory |
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