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Quantum Chemistry Fall 2017

Chem 6321: Quantum Chemistry

Credit Hours: 3.0

Lecture Contact Hours: 3 Lab Contact Hours: 0

Introduction to quantum mechanics and the theory of atomic and molecular structure.

Nothing conveys the impression of humungous intellect so much as even the sketchiest knowledge of quantum physics, and since the sketchiest knowledge is all anyone will ever have, never be shy about holding forth with bags of authority about subatomic particles and the quantum realm without having done any science whatsoever. Jack Klaff - Bluff Your way in the Quantum Universe.


Prerequisites: Graduate status in chemistry. This course is required for all Physical Chemistry students. The level of the course will be fairly rigorous and I assume that students have had some exposure to quantum mechanics at the undergraduate level--typically in Physical Chemistry, and are competent in linear algebra, calculus, and solving elementary differential equations.

Text Book

I have collected my lecture notes as a textbook "Quantum Dynamics" by ER Bittner, it should be available at the bookstore or on Amazon.com

Here are some of my favorites:

-Quantum Mechanics, Cohen-Tannoudji, et al. This two volume book is very comprehensive and tends to be rather formal (and formidable) in its approach. The problems are excellent.

– Lectures in Quantum Mechanics, Gordon Baym. Baym’s book covers a wide range of topics in a lecture note style.

– Modern Quantum Mechanics, J. J. Sakurai. This is a real classic. Not good for a first exposure since it assumes a fairly sophisticated understanding of quantum mechanics and mathematics.

– Intermediate Quantum Mechanics, Hans Bethe and Roman Jackiw. This book is a great exploration of advanced topics in quantum mechanics as illustrated by atomic systems.

– What is Quantum Mechanics?, Transnational College of LEX. OK, this one I found at Barnes and Noble and it’s more or less a cartoon book. But, it is really good. It explores the historical development of quantum mechanics, has some really interesting insights into semi-classical and ”old” quantum theory, and presents the study of quantum mechanics as an unfolding story. This book I highly recommend if this is the first time you are taking a course on quantum mechanics.

– Quantum Mechanics in Chemistry by George Schatz and Mark Ratner. Ratner and Schatz has more in terms of elementary quantum chemistry, emphasising the use of modern quantum chemical computer programs than almost any text I have reviewed.

Homework/Exams We will have a weekly problem set with a number of practice problems and one major problem. I will randomly select one student each week to present his or her solution to the "major problem" to the class. The student will be required to give both an oral overview and upload a cleaned up and presentable solution to this site.

The Final Exam will be in the form of a one-on-one oral exam over the content of the course.


Description


Course Outline & Links To Wikipedia

  1. Classical Mechanics
  2. Elementary Quantum concepts
  3. Particle in a box and hard wall potentials
  4. Bohr-Sommerfield Quantization/Old quantum theory/connection to classical mechanics
  5. Semiclassical quantum mechanics: WKB Approx. Application to scattering
  6. Postulates of quantum mechanics, Dirac notation, superposition principle
  7. Bound States, Variational principle, quantum harmonic oscillator
  8. Analytical Solutions to the Schrodinger Eq.
  9. Angular momentum
  10. Hydrogen atom, Hydrogenic systems, Two Electron Atoms
  11. Perturbation Theory
  12. Time-dependent Perturbation Theory
  13. Quantum Chemistry

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