McMaster University
Department of
Chemistry
Paul
W. Ayers, Instructor
Office
Phone Number: (905) 525-9140 x 24505
E-mail:
ayers@mcmaster.ca
Office
Hours: 9:30-11:00
(TR) (ABB-266; x24505); 9:30-11:00 (F) (ABB-212A; x24162)
Lecture:
PC-155; 8:30-9:20 (TRF)
Tutorials: ABB-164;
6:00-?? (TR)
Current notices:
Please E-mail me if you find any bad links on this web page.
Final Exam; Saturday, December 19th
@ 12:30 pm.
Pre-Exam Tutorials are in ABB-164 at the
following times
1.
Tuesday Dec. 8; 6 pm.
2.
Thursday Dec. 10; 6 pm.
3.
Tuesday Dec. 15; 6pm.
4.
Thursday Dec. 17; 6 pm.
5.
Friday, Dec. 18, 11 am.
Extra problems are due no later than Tutorial on
Thursday, Dec. 17. I will take up to 25 additional
problems after Thursday and before 10 am on Monday, December 21.
Grades on the second mid-term and all other work
are processed. You can find
information about the exam distributions and the marks (assuming that drop
grades are used for the final exam) here.
Some papers were turned in without
names. You should check your marks
with me to make sure they are correct.
A partial list of key topics that are
covered on the exam can be found here. 90% of the questions on the exam are closely related to one
or more items on this list.
I have posted some references for the
Rigid Rotor and Rotational Spectroscopy.
In tutorial tonight some people asked
me about the breakdown of the final exam.
It is 31 short-answer; about 1/3 of those are closely related to
questions on previous mid-terms or worksheets. There is a slight bias towards the material on the first
mid-term and the material that has not been tested, especially molecular
rotation. The second portion of
the exam is ŇPick THREE of SIX problems.Ó
One problem is straight from the notes; one is new. One is related to a problem from one of
your mid-terms; one is a problem from an exam from a previous year. One is an extension of something we did
in class; one is based on something you did in the 3rd year chemistry
lab. There is one bonus, worth 5
points.
Course Documentation
Course Description: An introduction to quantum chemistry and its
applications in spectroscopy and structure and unusual phenomena at the
nanoscale.
Web Site & Course Materials from Previous Course (more advanced)
WWW-based books:
Simons An
Introduction to Theoretical Chemistry
Simons Theoretical Chemistry:
A Self-Guided Introduction for College Students
Simons
and Nichols Quantum
Mechanics in Chemistry
John Lowe Quantum Chemistry
Robert
Evarestov Quantum Chemistry of Solids: The LCAO First Principles Treatment of
Crystals
Lucjan
Piela Ideas of Quantum Chemistry
Course Materials
|
Topic |
Worksheets |
Homework |
Exams |
References
|
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From Newton and Maxwell to
Schrdinger |
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The Particle in a Box &
the Postulates of Quantum Mechanics |
|
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Fundamentals of Spectroscopy |
||||
|
The
Born-Oppenheimer Approximation |
|
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The One-Electron Atom; Approximation
Techniques: Perturbation Theory
& the Variational Principle |
|
|
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Many-Electron Atoms; Slater Determinants and
Hartree-Fock |
|
|
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|
Diatomic Molecules; Polyatomic Molecules |
|
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|
Mean-Field Methods |
|
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Electron Correlation |
|
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The Harmonic Oscillator &
Vibrational Spectroscopy |
|
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The Rigid Rotor &
Rotational Spectroscopy |
|
|
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|
Things You Can—and
CanŐt—Observe |
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