An intensive study of selected advanced topics related to current research in physical chemistry such as thermodynamics, kinetics, spectroscopy, bulk electric and magnetic properties, macro molecular physical chemistry, molecular structure and applied numeric methods.

COURSE OUTLINE

Classical Mechanics and Theory of Vibrations

1. Classical Mechanics 
2. Mass and Accelaration 
3. Simple Harmonic Motion 
4. Coupled Vibrations 
5. Coupling Between Nearly Identical Groups 
6. Work and Energy 
7. Motion in Two Dimensional Field 
8. Physical Interpretation 
9. Potential Wells

Generalisation of Classical Mechanics

1. Lagrange's Method 
2. The Use of Lagrangians 
3. Hamilton's Canonical Equations 
4. Hamilton's Principle 
5. The Hamilton-Jacobi Equation 
6. Three Dimensional Harmonic Oscillator

From Classical Mechanics to Quantum Mechanics

1. Special Relativity

2. The Compton Effect-Momentum of a Photon 

3. The Heisenberg Uncertainty Principle 

4. De Broglie Wavelength

5. Blackbody Radiation

6. The photoelectric Effect 

7. Diffraction

8. Atomic Spectra

Schroedinger's Equation

1. Schroedinger's Differential Operators 
2. The Schroedinger Equation 
3. Solutions of Schroedinger's Equation 
4. Physical Interpretation 
5. Electrons Free and Constrained 
6. One-Dimensional Electron 
7. Tunnel Effect 
8. Electrons in Boxes 
9. The Hydrogen Atom

Diatomic Molecules

1. Born-Oppenheimer Approximation

2. Electronic Energy Levels

3. Rotation and vibration

4. Rigid Rotor-Harmonic Oscillator

5. Electronic Spectra

6. Rotational Spectra

7. Vibrational Spectra

8. Electronic Spectra

Computational Model Chemistries

1. Electronic Structure Methods

2. Selecting Computatioanal Models

3. Basis Set Effects

4. Selecting Theoretical Models

2. Single Point Energy Calculations

3. Geometry Optimizations

4. Frequency Calculations

Maxwell-Boltzmann and Quantum Statistics 

1. Phase Space 
2. Microstates and Macrostates 
3 Thermodynamic Probability 
4. Entropy and Probability 
5. Bose-Einstein Statistics,  
6. Fermi-Dirac Statistics

Partition Functions and Thermodynamic Properties

1. The Partition Function 
2. Translational Partition Function 
3. Rotational Partition Function 
4. Vibrational Partition Function 
5. Electronic Partition Function 
6. Thermodynamic Properties

Chemical Equilibrium

1. Partition Functions in Normal Coordinates 
2. Classical-Mechanical Phase Integral  
3. Phase Integrals Based on Valence-Bond Coordinates 
4. Partition Functions in Terms of Local Properties.

 © 2018 by Yüksel İnel / All rights reserved