課程資訊
課程名稱
物理化學二-量子化學
Physical Chemistry (Ⅱ)--quantum Chemistry 
開課學期
104-2 
授課對象
理學院  化學系  
授課教師
陳逸聰 
課號
Chem2039 
課程識別碼
203 33170 
班次
 
學分
全/半年
半年 
必/選修
必帶 
上課時間
星期二3,4(10:20~12:10)星期五2(9:10~10:00) 
上課地點
化210室化210室 
備註
先修普化甲/化數或相等科目,詳選課須知。現學士班二年級以上且限本系所學生(含輔系、雙修生)。
限學士班二年級以上 且 限本系所學生(含輔系、雙修生)
總人數上限:80人 
Ceiba 課程網頁
http://ceiba.ntu.edu.tw/1042Chem2039_ 
課程簡介影片
 
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課程概述

Chapter 7 Introduction to quantum theory
Topic 7A The origins of quantum mechanics
7A.1 Energy quantization
7A.2 Wave-particle duality
Topic 7B Dynamics of microscopic systems
7B.1 The Schrodinger equation
7B.2 The Born interpretation of the wavefunction
7B.3 The probability density
Topic 7C The principles of quantum theory
7C.1 Operators
7C.2 Superpositions and expectation values
7C.3 The uncertainty principle
7C.4 The postulates of quantum mechanics
Chapter 8 The quantum theory of motion
Topic 8A Translation
8A.1 Free motion in one dimension
8A.2 Confined motion in one dimension
8A.3 Confined motion in two or more dimensions
8A.4 Tunneling
Topic 8B Vibrational motion
8B.1 The harmonic oscillator
8B.2 The properties of oscillators
Topic 8C Rotational motion
8C.1 Rotation in two dimensions
8C.2 Rotation in three dimensions
Chapter 9 Atomic structure and spectra
Topic 9A Hydrogenic atoms
9A.1 The structure of hydrogenic atoms
9A.2 Atomic orbitals and their energies
Topic 9B Many-electron atoms
9B.1 The orbital approximation
9B.2 The building-up principle
9B.3 Self-consistent field orbitals
Topic 9C Atomic spectra
9C.1 The spectra of hydrogenic atoms
9C.2 The spectra of complex atoms
Chapter 10 Molecular structure
Topic 10A Valence-bond theory
10A.1 Diatomic molecules
10A.2 Polyatomic molecules
Topic 10B Principles of molecular orbital theory
10B.1 Linear combinations of atomic orbitals
10B.2 Orbital notation
Topic 10C Homonuclear diatomic molecules
10C.1 Electron configurations
10C.2 Photoelectron spectroscopy
Topic 10D Heteronuclear diatomic molecules
10D.1 Polar bonds
10D.2 The variation principle
Topic 10E Polyatomic molecules
10E.l The Hückel approximation
10E.2 Applications
10E.3 Computational chemistry
CHAPTER 12 Rotational and vibrational spectra
Topic 12A General features of molecular spectroscopy
12A.1 The absorption and emission of radiation
12A.2 Spectral linewidths
12A.3 Experimental techniques
Topic 12B Molecular rotation
12B.1 Moments of inertia
12B.2 The rotational energy levels
Topic 12C Rotational spectroscopy
12C.1 Microwave spectroscopy
12C.2 Rotational Raman spectroscopy
12C.3 Nuclear statistics and rotational states
Topic 12D Vibrational spectroscopy of diatomic molecules
12D.1 Vibrational motion
12D.2 Infrared spectroscopy
12D.3 Anharmonicity
12D.4 Vibration-rotation spectra
12D.5 Vibrational Raman spectra
Topic 12E Vibrational spectroscopy of polyatomic molecules
12E.1 Normal modes
12E.2 Infrared absorption spectra
12E.3 Vibrational Raman spectra
12E.4 Symmetry aspects of molecular vibrations
CHAPTER 13 Electronic transitions
Topic 13A Electronic spectra
13A.1 Diatomic molecules
13A.2 Polyatomic molecules
Topic 13B Decay of excited states
13B.1 Fluorescence and phosphorescence
13B.2 Dissociation and predissociation
Topic 13C Lasers
13C.1 Population inversion
13C.2 Cavity and mode characteristics
13C.3 Pulsed lasers
13C.4 Time-resolved spectroscopy
13C.5 Examples of practical lasers
 

課程目標
學習基本的量子力學觀念並了解量子力學在微觀化學體系的應用,作為大三以後進階課程的基礎。 
課程要求
預修課程:普通化學、化學數學或相等科目 
預期每週課後學習時數
 
Office Hours
 
指定閱讀
待補 
參考書目
一、 教科書
Book: Atkins’ Physical chemistry (10th Edition)
Authors: Peter Atkins, Julio de Paula

二、 補充參考資料 (圖書館指定參考書):
Book: Physical Chemistry
Authors: R. J. Silbey, R. A. Alberty, M. G. Bawendi

Book: Physical Chemistry
Authors: I. Tinoco, K. Sauer, J. C. Wang, J. D. Puglisi

Book: Quantum Chemistry
Author: Donald A. McQuarrie

Book: Quantum Chemistry
Author: Ira N. Levine

Book: Biophysical Chemistry
Author: J. P. Allen
 
評量方式
(僅供參考)
 
No.
項目
百分比
說明
1. 
期中考 
50% 
 
2. 
期末考 
50% 
 
3. 
小考 
0% 
 
 
課程進度
週次
日期
單元主題
第1週
2/23,2/26  能量換算與常數表 
第2週
3/01,3/04  小考1 
第3週
3/08,3/11  算符的推導 
第4週
3/15,3/18  分部積分 小考2 
第6週
3/29,4/01  4/1溫書假
3/29 小考三 
第7週
4/05,4/08  4/5清明節放假 
第9週
4/19,4/22  4/19期中考 
第12週
5/10,5/13  自洽場方法 
第13週
5/17,5/20  氦原子能階 
第14週
5/24,5/27  波爾-奧本海默假設
Variation principle導證 
第15週
5/31,6/03,6/04  6/04 補6/10課程 
第16週
6/07,6/10  6/07 簡單光譜學
6/10 端午連假放假 
第18週
6/21  期末考