(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

- Levine, Ira, Quantum Chemistry 5th Ed. Allyn & Bacon
1998.
*An excellent text. Very Clear explanations. Highly recommended. Math was more thorough in earlier editions.* - Lowe J., Quantum Chemistry 2nd ed Academic Press,
1993.
*A very good introduction to molecular applications.* - 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
Wiley 1972.
*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 elementary material.* - 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,
1961.
*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.
*An introduction to Qualitative MO theory easily understood by beginning students.* - 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.* - 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, Cambridge, 1986

- Baggott, Jim, The Meaning of Quantum Theory
Oxford Uni. Press, 1992.

15% Final Exam

30% Term Paper

40% Homework

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 4. | |

2 | Postulates continued. Some important theorems. Commutators. Philosophical Issues. Chapter 4 continued. | |

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. Chapter 7. | |

7 | Midterm exam. | |

8 | The rigid rotor and chemical applications. Angular momentum. Spin. The central field problem. The hydrogen atom. Chapter 6. | |

9 | Hydrogen atom continued. Multielectron atoms | |

10 | Introduction to Quantitative and Qualitative MO Theory | |

11 | MO THEORY continued + Group Theory Applications. | |

12 | Time Dependent Problems. Spectroscopy. | |

13 | More Spectroscopy | |

14 | Bader Theory | |

15 | Final Exam |

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Revised July 19, 1999.