Chemistry 3730
Fall 2011
Quantum Principles and Spectroscopy.
Instructor:
Office:
Phone:
Email:
Website:
Paul Hazendonk
E852
329-2657
paul.hazendonk@uleth.ca
http://classes.uleth.ca/201103/chem3730a/
Office Hours
I maintain an open door policy, meaning that I am available when my door is open. I am
also available by appointment.
Website
Course material will be made available on the website such as the slides. They will be
updated intermittently as they are under development. All assignments will be made
available on the lab website. The corresponding answer keys will be posted after the
assignment’s due date. The assignments will be performed in the lab using MAPLE
software.
Course Prerequisites
Chemistry 2600, Physics 2000, Mathematics 1410 and 2560 are prerequisites and Chem
2740 is a co-requisite for this course. If you lack any of these you should contact me as
soon as possible.
Textbook
Quantum Chemistry and Spectroscopy by Thomas Engel. Pearson Benjamin Cummings,
Toronto, 2006, ISBN 0-8053-3842-X
Recommended Reading
Physical Chemistry by Thomas Engel and Philip Reid Pearson Benjamin Cummings,
Toronto, 2005, ISBN 0-8053-3842-X
Additional material will be posted on the website.
Overview
1) Math Review:
Week 1
Linear Algebra
Differential Equations.
2) Classical Mechanics:
Week 2
Motion
Operators.
3) Waves:
Week 3
The Classical Equation
Properties.
4) Why Quantum Mechanics:
Week 3
Anomalies
The Schrodinger Equation.
5) Quantum Postulates:
The Wavefunction
Measurement.
6) Translational Motion:
Week 4
(Midterm 1)
Week 5 & 6
Particle in a Box
Nanotechnology.
7) Rotational Motion:
Angular Momentum
Spin.
8) Vibrational Motion:
Week 7, 8 & 9
(Midterm 2)
Week 10 & 11
Spectroscopy
Perturbation Theory.
9) Atoms:
Week 11 & 12
Atomic Orbitals
Variational Theory.
10) Molecules:
Week 13
Molecular Orbitals
Bonding.
Grading Scheme
Midterms:
2 Tests*
20% each
(Tuesday evenings, 6:30 to 9:30 pm, dates TBA)
Total: 40%
Lab:
Quizzes**
Class participation
20%
10 %
Total: 30%
Final:
Total: 30%
*test dates will be announced in class and on the website. They will be written during the
lab period. If you miss a test during the term with reasonable cause, the weight of the
missed test will be transferred to the final examination. **There will be a quiz at the
beginning of approximately every second lab, which means that there will be at most 6
quizzes that will come to total of 20 % of your final mark.
Computer-assisted instruction
Quantum chemical problems are nearly impossible to solve by hand for any
practical situation. Accordingly, we will use a computer program to aid our efforts. The
Maple software package will be used which is a symbolic algebra system. It will solve
algebraic problems analytically, meaning that it gives a solution in the form of an
equation, not some numerical value. It will perform integration, differentiation, and
simplify algebraic expressions.
Maple software takes time to master and hence routine practice is required to use
them to their full potential. Therefore, in addition to studying from your class notes, you
will have to practice using them. In order to help you do this three hours will be spent
every Monday afternoon in the computer lab. In these labs sample problems will be
performed which are given in the form of assignments. You are expected to practice one
you own time as well. The help you along other resources will be made available on the
lab website as the term proceeds. Maple is accessible from most of the computer labs on
campus.