McMaster University
Department of Chemistry
Chemistry 770: 2005
Paul W. Ayers, Instructor
Office
Phone Number: (905) 525-9140 x 24505
E-mail: ayers@mcmaster.ca
Office
Hours: 10:30-11:30 M-F (ABB-266; Lab
ABB-212A)
Current notices: Class meetings are 11:30-12:30, MTF in
Room ABB-A404
Course Documentation
Syllabus
List of
Papers for the Literature Assignments (extra credit)
Course Description: Modern
theoretical and computational approaches to the electronic structure problem
will be presented. Topics will include
wave-function based methods (Hartree-Fock, Configuration Interaction, Coupled
Cluster, Many-Body (a.k.a. Moller-Plesset)
Perturbation Theory), density-functional theory, and density-matrix based
approaches. At the end of this course,
students should be able to understand journal articles in quantum chemistry.
Web Resources
Gaussian Manual
Basis-Set Order Form
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
Paul's home page
E-mail Paul
Department of
Chemistry
Current Undergraduate Courses
McMaster
University
06jan2003; ayers@mcmaster.ca