McMaster University
Department of Chemistry
Chemistry 3BB3: 2006
Paul W. Ayers, Instructor
Office
Phone Number: (905) 525-9140 x 24505
E-mail: ayers@mcmaster.ca
Office
Hours: 12:30-1:30 TRF (office ABB-266;
Lab ABB-212A)
Lecture: 11:30-12:20 TRF (JHE-A113)
Tutorial: Tuesdays at 6:30 pm; ABB-163
Current notices: The last quiz will
be on Thursday, March 30, in class.
There will be
no class on Tuesday, March 28, Friday March 31, or Tuesday, April 4.
The
final exam is scheduled for April 10th
at 1:30 pm in ABB-136.
The
third homework set is due on April
14th. I will give 10 pts./problem extra credit for problems turned in by noon on
April 12th.
Extra
credit homework is due by noon on April 17th.
Course Documentation
Syllabus
Course Description: This course surveys the quantum theory of
electronic structure and electronic spectroscopy. Topics include the Born-Oppenheimer approximation,
electronic structure of atoms, electronic structure of molecules (including
Molecular-Orbital and Valence-Bond Theories), and an introduction to electronic
spectroscopy (including the frequencies, intensities, and lineshapes
associated with different experimental approaches). As time permits, computational methods
(Hartree-Fock, Configuration Interaction, Many-Body Perturbation Theory,
Coupled-Cluster Theory, Propagator Methods, Density-Matrix Methods, and
Density-Functional Theory) and conceptual techniques (e.g. qualitative insights
based on molecular-orbital theory and/or density-functional theory) are
discussed.
In this course, problem sets serve a role similar
to the role of laboratories in most chemistry courses. That is, problem sets are used to present
extensions to and applications of the course material in the class notes.
Web Resources
WWW-based books:
Simons’ “An Introduction to
Theoretical Chemistry”
http://simons.hec.utah.edu/NewUndergradBook/TableofContents.html
Simons’ “Theoretical
Chemistry: A Self-Guided Introduction for College Students”
http://simons.hec.utah.edu/TheoryPage/index.html
Simons’ and Nichols’ “Quantum
Mechanics in Chemistry”
http://simons.hec.utah.edu/TheoryPage/BookPDF/TableofContents.html
Course Materials
Quizzes and Examinations from
Previous Years
Paul's home page
E-mail Paul
Department of
Chemistry
Current Undergraduate Courses
McMaster
University
06jan2003; ayers@mcmaster.ca