國立中正大學化學暨生物化學系
Department of Chemistry and Biochemistry
College of Sciences, National Chung Cheng University

高等量子化學

Advanced Quantum Chemistry

〈113學年度第一學期〉

1st Semester, 2024

成績計算方式 (Grade)：Weekly Report 40%; Mid-term 30%;Final 30%

課程綱要 (Contents)：

歷史背景
Historic Background

粒子與力
Particles and Forces

宇宙論
Cosmology

量子力學公設
Postulates of Quantum Mechanics

盒中粒子及穿隧效應
Particle in a box_Tunneling

量子化學原子
Quantum_chemistry_Atoms

量子化學分子
Quantum_chemistry_Molecules

基底函數
Basis sets

光譜分析
Spectra Analysis

熱力學
Thermodynamics

高等量子化學課程作業網頁 (Exercise Page)

其他課程相關資源 (Course-Related Resources)：　

1. 分子結構模擬微課程 (Molecular Modeling Course Page)
2. 計算化學課程 (Computational Chemistry Course Page)
3. Gaussian 09 訓練課程 (Gaussian 09 Training Courses)
4. 電子密度圖的繪製 (Plotting Electron Density Map)
5. 量化計算入門 (Tutorial for Quantum Chemical Calculation)
6. G09@NCCU
7. 物化課程網頁 (Physical Chemistry I)
8. 化數課程網頁 (Mathematics in Chemistry)
9. 從原子到宇宙課程網頁 (From Atoms to the Universe)
10. 宇宙的起源 (Origin of the Universe)

參考書 (References)：

1. Physical Chemistry: A molecular approach Donald A. Mcquarrie and John D. Simon
2. Molecular Quantum Mechanics, P.W. Atkins
3. Molecular Modelling: Principles and applications, Andrew R. Leach

課程中使用到的網頁 (Useful Web Pages)

1. NIST Computational Chemistry Comparison and Benchmark DataBase
2. NIST Chemistry Webbook
3. NIST Atomic Spectra Database
4. WebElements
5. EMSL Gaussian Basis Set Library
6. Minnesota Database 2.0
7. NIST Ground Levels and Ionization Energies for the Neutral Atoms
8. Atomic Electron Affinity in Wikipedia data page
9. Gaussian, Inc.
10. Wavefunction, Inc.