物化筆記

2022.10.14  

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目錄
壹. 量子化學 (Quantum Chemistry)................................3
Ch 01. Quantum Theory........................................................................3
Ch 02. The Schrödinger Equation..........................................................4
Ch 03. The Particle in a Box..................................................................5
Ch 04. Operators...................................................................................6
Ch 05. The Harmonic Oscillator.............................................................7
Ch 06. Angular Momentum....................................................................8
Ch 07. The Hydrogen Atom...................................................................9
Ch 08. Theorems of Quantum Mechanics...........................................10
Ch 09. The Variation Method...............................................................11
Ch 10. Perturbation Theory..................................................................12
Ch 11. Electron Spin and the Spin–Statistics Theorem.......................13
Ch 12. Many-Electron Atoms...............................................................14
Ch 13. Molecular Symmetry.................................................................15
Ch 14. Electronic Structure of Diatomic Molecules..............................16
Ch 15. Theorems of Molecular Quantum Mechanics...........................17
Ch 16. Molecular Electronic Structure..................................................18
Ch 17. Electron-Correlation Methods...................................................19
Ch 18. Semiempirical and Molecular-Mechanics.................................20
貳. 熱力學 (Thermodynamic)........................................21
Ch 01. The First Law............................................................................21
Ch 02. The Second and Third Laws.....................................................22
Ch 03. Physical Transformations.........................................................23
Ch 04. Simple Mixtures........................................................................24
Ch 05. Chemical Equilibrium................................................................25
Ch 06. Statistical Thermodynamics......................................................26
Ch 07. Quantum Statistics...................................................................27
Ch 08. Crystals....................................................................................28
Ch 09. Imperfect Gases.......................................................................29

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 Ch 10. Theory of Brownian Motion.......................................................30
Ch 11. The Time-Correlation Function Formalism...............................31
參. 動力學 (Kinetic).......................................................32
Ch 01. The Kinetic Model.....................................................................32
Ch 02. Molecules in Motion..................................................................33
Ch 03. Chemical Kinetics.....................................................................34
Ch 04. Reaction Dynamics..................................................................35
Ch 05. Magnetic Resonance................................................................36
Ch 06. Molecular Interactions..............................................................37
Ch 07. Solids........................................................................................38
Ch 08. Processes at Solid Surface......................................................39
肆. 參考書籍...................................................................40

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壹. 量子化學 (Quantum Chemistry)
Ch 01. Quantum Theory
1.1 歷史背景時序
時間 人物 事蹟
提出光是一種波動
1803 Thomas Young
(干涉實驗)
1864 James Clerk Maxwell 提出四大波動方程
物理學家正式認為光是波
1888 Heinrich Hertz
(加速電流實驗)
提出黑體輻射強度與頻率關係
1896 Wien ( bν )
3
I =aν /e T

1. 提出普朗克常數 (h)
2. 量子化概念
1900 Planck 3. 低頻率下黑體輻射有偏差
( bν
3 T
I =aν /e −1¿

提出光子(photons) E=hν
1905 Einstein
hν=ϕ+ T , ϕ :W ork function
1907 Einstein 能量量子化應用於固態分子
發現原子內正電分布區域很小
1909 Rutherford
(alpha 粒子 )
1911 Rutherford 原子模型 (太陽系)
1. 提出能階概念
1913 Niels Bohr
2. H 原子光譜 (概念不正確)
提出電子具有波的形式
1923 Louis de Broglie ( λ= h = h )
mv p

1927 Davisson and Germer 證實電子是波動

提出波的形式並非電子獨有
1932 Stern
(He, H2)

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1.2 能量量子化
19 世紀末，科學家開始好奇光到底是什麼? 陸續物理學家開始提出黑
體輻射，所謂的黑體就是一切具有能量的電磁波皆吸收或放射。
1896 年，物理學家 Wien’s 提出在每個溫度 T 之下黑體輻射都具有一
個最大強度，此時對應的波長即為 λ max，並提出:
−3 '
λ max T =2.9× 10 mK (Wie n s l aw)

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Ch 02. The Schrödinger Equation

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Ch 03. The Particle in a Box

7
Ch 04. Operators

8
Ch 05. The Harmonic Oscillator

9
Ch 06. Angular Momentum

10
Ch 07. The Hydrogen Atom

11
Ch 08. Theorems of Quantum Mechanics

12
Ch 09. The Variation Method

13
Ch 10. Perturbation Theory

14
Ch 11. Electron Spin and the Spin–Statistics Theorem

15
Ch 12. Many-Electron Atoms

16
Ch 13. Molecular Symmetry

17
Ch 14. Electronic Structure of Diatomic Molecules

18
Ch 15. Theorems of Molecular Quantum Mechanics

19
Ch 16. Molecular Electronic Structure

20
Ch 17. Electron-Correlation Methods

21
Ch 18. Semiempirical and Molecular-Mechanics

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貳. 熱力學 (Thermodynamic)
Ch 01. The First Law

23
Ch 02. The Second and Third Laws

24
Ch 03. Physical Transformations

25
Ch 04. Simple Mixtures

26
Ch 05. Chemical Equilibrium

27
Ch 06. Statistical Thermodynamics

28
Ch 07. Quantum Statistics

29
Ch 08. Crystals

30
Ch 09. Imperfect Gases

31
Ch 10. Theory of Brownian Motion

32
Ch 11. The Time-Correlation Function Formalism

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參. 動力學 (Kinetic)
Ch 01. The Kinetic Model

34
Ch 02. Molecules in Motion

35
Ch 03. Chemical Kinetics

36
Ch 04. Reaction Dynamics

37
Ch 05. Magnetic Resonance

38
Ch 06. Molecular Interactions

39
Ch 07. Solids

40
Ch 08. Processes at Solid Surface

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肆. 參考書籍
1. Atkin’s Physical Chemistry, International Edition, 2018.
2. Quantum Chemistry 7th Edition by Ira Levine
3. Statistical Mechanics by Donald A. McQuarrie

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