Physical Chemistry II

本課程是由 國立陽明交通大學應用化學系提供。

Introduction to quantum chemistry, molecular orbitals and bonding. The Schrodinger equation and its solutions for some simple systems. Wavefunctions, one-electron and multielectron atoms and molecules, rotation and vibration of molecules. Molecular orbitals and bonding in diatomic and polyatomic molecules. Molecular symmetry, structure, and spectroscopy.

Textbook:Physical Chemistry 3rd edition, Mortimer, 2008.
For perfect learning results, please buy textbooks!

 

Instructor(s) Department of Applied Chemistry Prof. Chao-Yuan Zhu
Course Credits 3 Credits
Academic Year 98 Academic Year
Level Second year university student
Prior Knowledge Physics, Chemistry, Applied Mathematics
Related Resources Course Video   Course Syllabus   Course Calendar

WeekCourse ContentCourse Video
單元一 Origins of quantum mechanics
Classical harmonic oscillator
Classical wave
Maxwell electromagnetic wave
Watch Online
Blackbody radiation
Photoelectric effect
Watch Online
Hydrogen AtomWatch Online
單元二 The Schrodinger wave equation
Particle in one-dimensional box
Particle in three-dimensional box
Quantum harmonic oscillator
Watch Online
單元三 Quantum operators and observables
Operator algebra
Classical correspondence
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Particle on a ring
Expectation and Interpretation of wave function
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The Heisenberg uncertainty principleWatch Online
Review (單元三)Watch Online
單元四 The hydrogen atom
Particle on a sphere
Real function-angular momentum orbital
The two-body central force system
Watch Online
The Radial wave function of hydrogen like atomsWatch Online
Expectation valueWatch Online
Orbital visualizationWatch Online
單元五 Approximation methods for multielectron atoms
The Hamiltonian of helium like atoms
Electron spin
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Pauli Exclusion Principle
Addition of angular momentum
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Slater determinant
Variation method
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Application to helium atom
The perturbation method
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Application to lithium atom
The Hartree-Fock self-consistent field method
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Atomic spectraWatch Online
單元六 Diatomic molecules
Hamiltonian for diatomic system
Hydrogen molecule ion
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Molecular orbitals for homonuclear diatomic molecules
Application of molecular orbitals
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General LCAO-MO
Term symbols for homonuclear diatomic molecules
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Molecular orbitals for heteronuclear diatomic molecules
Dipole moment and partial charge
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單元七 Polyatomic molecules and chemical bonds
Linear and non-linear triatomic systems
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Walsh diagram for triatomic systems
Hybrid MOs and bond angles
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Summary (單元七)Watch Online
Hückel molecular orbitalsWatch Online
單元八 Translations, rotations and vibrations
Introduction
Translations
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Rotation and vibration of diatomic molecule
Morse potential
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Rotation of polyatomic molecules
Vibrations of polyatomic molecules
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The equilibrium populations of molecular states
The ortho and para hydrogen molecule
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Summary (單元八)Watch Online

課程目標

Introduction to quantum chemistry, molecular orbitals and bonding. The Schrodinger equation and its solutions for some simple systems. Wavefunctions, one-electron and multielectron atoms and molecules, rotation and vibration of molecules. Molecular orbitals and bonding in diatomic and polyatomic molecules. Molecular symmetry, structure, and spectroscopy.

 

課程章節

 

章節 章節內容
單元一Origins of quantum mechanics
單元二The Schrodinger wave equation
單元三Quantum operators and observables
單元四The hydrogen atom
單元五 Approximation methods for multielectron atoms
單元六 Diatomic molecules
單元七Polyatomic molecules and chemical bonds
單元八Translations, rotations and vibrations
單元九 Optical spectroscopy and photochemistry
單元十Magnetic resonance spectroscopy
單元十一Miscellaneous topics in quantum chemistry

 


課程書目

Physical Chemistry 3rd edition, Mortimer, 2008
[99學年第1學期 物理化學(三)也使用這本教科書]

參考書目

Physical Chemistry 2nd edition, Engel and Reid, Pearson 2010.
Physical Chemistry, McQuarrie and Simon, 1997.
Atkins Physical Chemistry 7th edition, Atkins and Paula, 2002.

 

評分標準

項目百分比
作業部分:每堂課後均有作業20%
Midterm-I15%
Midterm-II20%
Midterm-III15%
期末考30%

本課程行事曆提供課程進度與考試資訊參考。

章節 章節內容
單元一Origins of quantum mechanics
單元二The Schrodinger wave equation
單元三Quantum operators and observables
單元四The hydrogen atom
單元五 Approximation methods for multielectron atoms
單元六 Diatomic molecules
單元七Polyatomic molecules and chemical bonds
單元八Translations, rotations and vibrations
單元九 Optical spectroscopy and photochemistry
單元十Magnetic resonance spectroscopy
單元十一Miscellaneous topics in quantum chemistry