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Course: Quantum Chemistry
(Chem-6641)


Instructor: Dr. Arthur R. Murphy
Instructor's Office: Dickinson Hall Room 4456
Semester: Fall 1999
Required Text: Quantum Chemistry by D. McQuarrie, University Science books, 1983


References:

  1. Levine, Ira, Quantum Chemistry 5th Ed. Allyn & Bacon 1998.
    An excellent text. Very Clear explanations. Highly recommended. Math was more thorough in earlier editions.
  2. Lowe J., Quantum Chemistry 2nd ed Academic Press, 1993.
    A very good introduction to molecular applications.
  3. Atkins, P. W. Quanta - a Handbook of Concepts 2nd ed
    Very clear definitions and illustrations of terms used in Quantum Chemistry and Spectroscopy
  4. Atkins, P. W., Molecular Quantum Mechanics 3rd Ed, Oxford University Press, 1996.
    A paperback student edition is available as well as a supplemental answer book. A very good book in which the author tries to give pictorial as well as mathematical presentations of the material.
  5. Goodrich, F. A Primer of Quantum Chemistry, John Wiley 1972.
    A nice introduction to a few aspects of vector spaces. Particularly good in giving a pictorial approach to certain matrix operators.
  6. Flurry, R.L. Quantum Chemistry an Introduction, Prentice Hall, 1983.
    A fairly standard presentation of elementary material.
  7. Flurry, R.L., Symmetry Groups, Prentice Hall, 1980.
    An excellent text. Discussions of topics not usually found in introductory texts.
  8. Pilar, F. Elementary Quantum Chemistry, (1st and 2nd Ed), McGraw-Hill, 1968, 1989.
    First edition contains excellent mathematical derivations using notation similar to that found in the literature. The second edition has been greatly reduced in size and is less formidable to beginners.
  9. Cohen-Tannoudji,Diu B. , Laloe F., Quantum Mechanics Vols I&II, John Wiley, 1977.
    A massive two volume advanced text. Extremely thorough and well written. This is one of my favorites.
  10. Messiah, A. Quantum Mechanics Vols I&II, Wiley, 1961.
    A classic text. Clear explanations, but this is not an elementary text.
  11. Yves,J. ,Volatron,F.,Burdett, J. An Introduction to Molecular Orbitals, Oxford Uni. Press, 1993.
    An introduction to Qualitative MO theory easily understood by beginning students.
  12. Gimarc, B. Molecular Structure and Bonding: The Qualitative Molecular Orbital Approach, Academic Press, 1979.
    A book written at a slightly higher level than the book by Yves et al.
  13. The following books deal with philosophical and interpretational aspects of Quantum Theory:

Grading Policy

15% Midterm Exam
15% Final Exam
30% Term Paper
40% Homework

Note: Homework must be submitted on time. Late assignments will not be accepted.

TENTATIVE LECTURE SCHEDULE
WEEK # TOPIC
1Introduction to Quantum chemistry. Presentation and explanation of the postulates. Chapter 4.
2Postulates continued. Some important theorems. Commutators. Philosophical Issues. Chapter 4 continued.
3Simple quantum systems. Particle in the one and three dimensional box. Discussion of degeneracy. Illustrations of topics covered in lectures 1 and 2. Parts of chapters 3&4. Chemical Applications.
4The harmonic oscillator. Chemical applications. Chapter 5.
5Approximation methods. The variational theorem.Chemical applications. Chapter 7.
6Perturbation theory. Chemical applications. Chapter 7.
7Midterm exam.
8The rigid rotor and chemical applications. Angular momentum. Spin. The central field problem. The hydrogen atom. Chapter 6.
9Hydrogen atom continued. Multielectron atoms
10Introduction to Quantitative and Qualitative MO Theory
11MO THEORY continued + Group Theory Applications.
12Time Dependent Problems. Spectroscopy.
13More Spectroscopy
14Bader Theory
15Final Exam

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Revised July 19, 1999.