Course: Quantum Chemistry
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
- Levine, Ira, Quantum Chemistry 5th Ed. Allyn & Bacon
An excellent text. Very Clear explanations.
Highly recommended. Math was more thorough in earlier
- Lowe J., Quantum Chemistry 2nd ed Academic Press,
A very good introduction to molecular
- Atkins, P. W. Quanta - a Handbook of Concepts 2nd ed
Very clear definitions and illustrations of terms
used in Quantum Chemistry and Spectroscopy
- 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.
- Goodrich, F. A Primer of Quantum Chemistry, John
A nice introduction to a few aspects of
vector spaces. Particularly good in giving a pictorial
approach to certain matrix operators.
- Flurry, R.L. Quantum Chemistry an Introduction,
Prentice Hall, 1983.
A fairly standard presentation of
- Flurry, R.L., Symmetry Groups, Prentice Hall, 1980.
An excellent text. Discussions of topics not usually
found in introductory texts.
- 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.
- 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.
- Messiah, A. Quantum Mechanics Vols I&II, Wiley,
A classic text. Clear explanations, but this is
not an elementary text.
- Yves,J. ,Volatron,F.,Burdett, J. An Introduction to
Molecular Orbitals, Oxford Uni. Press, 1993.
introduction to Qualitative MO theory easily understood
by beginning students.
- Gimarc, B. Molecular Structure and Bonding: The
Qualitative Molecular Orbital Approach, Academic Press,
A book written at a slightly higher level than
the book by Yves et al.
- The following books deal with philosophical and
interpretational aspects of Quantum Theory:
- Baggott, Jim, The Meaning of Quantum Theory
Oxford Uni. Press, 1992.
Although I have reservations
regarding certain features of this book, it is a
very nice introduction to some of the
interpretations of Quantum mechanics at a semi-
quantitative level. Explanations are accessible
to the beginning student.
- Jammer, M. ,The Philosophy of Quantum Mechanics:
the interpretations of Quantum Mecanics in
Historical Perspective, John Wiley, 1974.
- Rae, Alastair, Quantum Physics: Illusion or
Reality ?, Cambridge Uni. Press, 1986.
- Davies, P.C.W.,Brown,J.R., The Ghost in the Atom,
15% Midterm Exam
15% Final Exam
30% Term Paper
Note: Homework must be submitted on time. Late
assignments will not be accepted.
|WEEK #|| TOPIC|
|1||Introduction to Quantum chemistry.
Presentation and explanation of the postulates. Chapter
|2||Postulates continued. Some important
theorems. Commutators. Philosophical Issues. Chapter 4
|3||Simple 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.|
|4||The harmonic oscillator. Chemical
applications. Chapter 5.|
|5||Approximation methods. The variational
theorem.Chemical applications. Chapter 7.|
|6||Perturbation theory. Chemical applications.
|8||The rigid rotor and chemical applications.
Angular momentum. Spin. The central field problem. The
hydrogen atom. Chapter 6.|
|9||Hydrogen atom continued. Multielectron
|10||Introduction to Quantitative and Qualitative
|11||MO THEORY continued + Group Theory
|12||Time Dependent Problems.
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Revised July 19, 1999.