Syllabus

Textbook(3): "Molecular Quantum Mechanics" P.W. Atkins and R. S. Friedman (3rd ed.)

Other Useful Textbooks:

1    H. HAKEN and H.C. WOLF
      Molecular Physics and Elements of Quantum Chemistry, Introduction to Experiments and Theory

2    Quantum States of Atoms, Molecules and Solids, by Morrison, Estle, Lane (Prentice Hall)

3    Molecular Spectroscopy, McHale, J. (Prentice Hall)

4    Coulson's Valence (3rd Ed.), McWeeny, R (Oxford Science Publications)

5    Quantum Chemistry and Molecular Spectroscopy Dykstra, C (Prentice Hall)

6    Lasers in Chemistry. D. L. Andrews (Springer)

7    Biophysical Chemistry, Part II. Cantor and Schimmel (Freeman)

8    Spectra of Atoms and Molecules. Peter R. Bernath (Oxford)
 
 

Course Outline

Introductory Course in Quantum Chemistry, serving the needs of physics, chemistry and biochemistry students. Basic quantum mechanics is introduced and applied to molecular systems. The emphasis is on relating quantum theory to spectroscopic measurement. We shall study vibrational and rotational spectroscopies; Digress into the world of modern molecular photochemistry and study aspects of magnetic and electronic spectroscopies.  The latter part of the course will deal with a variety of topics of current experimental or theoretical interest, taken from the scientific literature or other textbook sources. Students will select and study topics which match their interests, and give a critical oral presentation of the subject. Homework problems will be assigned based on topics covered. In addition, some homework assignments will be based on the subjects of the oral presentations. Some possible subjects of study are listed below. ANY subject of interest to the student, that is connected to macromolecular spectroscopy or theoretical molecular physics, can be developed with the consent of the instructor.

 

Chapter / Sections Covered in Atkins and Friedman
 Chapter 0     Quich Review but mostly homework
 Chapter 1     Quick Review but mostly homework
 Chapter 2     Quick Review but mostly homework
                      Penetration Depth or Tunnelling will not be covered but could be
                      developed by a student
 Chapter 3     Particle on a ring
                     Particle on a sphere
                     Motion in a coulomb potential-the hydrogen atom
Chapter 4
Chapter 5
 Chapter 6    Approximation Techniques
                         Time Independant perturbation Theory
                         Variation Theory
                         Time Dependant perturbation Theory
                         Two Level Systems
                         N-Level Systems
                         Fermis Golden Rule
                         Einstein Coefficients
Chapter 7
Chapter 8    Molecular Structure
                    Molecular Orbital Theory
                    Valence Bond Theory
Chapter 9
Chapter 10   Molecular Rotations and Vibrations
Chapter 11   Molecular Electronic Transitions
Chapter 12 
Chapter 13   Magnetic Properties of Molecules

 

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