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Chem 395 - 002 437 - 001

Chemistry 395/437 is a Quantum Chemistry course at Loyola University Chicago, taught by Dr. Dan Killelea, focusing on the principles of quantum mechanics and their applications in chemistry. The course includes exams, homework, and a grading scale based on performance, with an emphasis on academic integrity and collaboration among students. Students are encouraged to communicate any special needs or personal issues that may affect their studies.

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9 views4 pages

Chem 395 - 002 437 - 001

Chemistry 395/437 is a Quantum Chemistry course at Loyola University Chicago, taught by Dr. Dan Killelea, focusing on the principles of quantum mechanics and their applications in chemistry. The course includes exams, homework, and a grading scale based on performance, with an emphasis on academic integrity and collaboration among students. Students are encouraged to communicate any special needs or personal issues that may affect their studies.

Uploaded by

gfidelis838
Copyright
© © All Rights Reserved
We take content rights seriously. If you suspect this is your content, claim it here.
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Download as PDF, TXT or read online on Scribd
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Chemistry 395/437: Quantum Chemistry

Department of Chemistry, Loyola University Chicago


Spring 2018

Instructor: Dr. Dan Killelea


Office: Flanner Hall 103
Phone: (773) 708-3136
Email: dkillelea@luc.edu
Office Hours: M 1:30p and by appointment (FH 103)
Class: T Th, 8:30–9:45 am, FH-007
Text: Quantum Chemistry, Donald A. McQuarrie (2nd Ed.)
Course Prerequisites: Chemistry 302 or concurrent registration. If you have not completed the
course prerequisite, you may be administratively dropped from the class.

Course Overview
Quantum mechanics is the best model we presently have available for describing the behavior of
microscopic (e.g. atomic scale) systems. Developed in the early 1900’s, the theory has been
essential for understanding many of the scientific advances in the past hundred years, and has
enabled a sometimes clear picture of atomic-scale phenomena. A qualitative understanding of
quantum is necessary for a chemist, and an understanding of the fundamentals of quantum
mechanics is valuable for any chemistry involved with research. Many ‘ordinary’ techniques in
chemistry, for example, absorption of light (spectroscopy), the structure of solids, and
semiconductor devices, are all so-called ‘quantum’ phenomena. In this course we will study the
fundamentals of quantum mechanics and how they apply to chemical systems. A key goal will
be to de-mystify many of the ‘odd’ behaviors that have been casually assigned to quantum
mechanics.

Course Goals:
• Master fundamental quantum mechanical principles and problem-solving techniques.
• Develop working knowledge of terminology and tools used by quantum chemists.
• Learn how quantum mechanics manifests itself in nature and experimental science.
• Understand advantages and limitations of approximation methods for solving complex
problems

Chem 395/437: Quantum Chemistry, Syllabus, Page 1 of 4


Exams, Homework, and Grading
There will be a three hour exams this semester, two during regularly scheduled class periods and
the last one during the final exam slot (Saturday, 9:00am – 11:00am, 5 May). There will be no
make up exams. Homework will be assigned and collected through the semester, usually
assigned on a Tuesday and due the following.
Supplementary Texts
The Principles of Quantum Mechanics, 4th Ed., P.A.M. Dirac
Introduction to Quantum Mechanics, Pauling and Wilson
Introduction to Quantum Mechanics, 2nd Ed., David Griffiths
Physical Chemistry, 2nd Ed., Rice, Ross, and Berry

Grading: The grade will be based on completion of homework and exam scores.
400 Points Total
Exam 1 : 100 points
Exam 2: 100 points
Exam 3 (during final slot): 100 points
Homework: 100 points
400 points

Grading Scale:
>85% A 80-85 A- 75-80 B+
65-75 B 60-65 B- 50-60 C
45-50 D <45 F

Chem 395/437: Quantum Chemistry, Syllabus, Page 2 of 4


Schedule
We will not have class 13 Feb, 6 and 8 Mar, and 3 and 5 April.
Tentative Lecture Topics:
"New" Experimental Results and the Birth of the Quantum Theory
Physical and Mathematical Foundations for the Quantum Theory
Classical Mechanics, Complex Variables, Fourier Transforms, Gaussian Functions
The Uncertainty Relationships
The Schrödinger Equation
The Postulates of Quantum Mechanics
Operators, Wavefunctions and Eigenvalue Equations,
Expectation Values, Quantum Measurement
Application of the Schrödinger Equation
Free Particle, Potential Barrier and Particle in a Box Problems
Energy levels, wavefunctions, band structure, tunneling, and wavepackets.
The Simple Harmonic Oscillator, Polynomial Treatment
The Matrix Formulation of Quantum Mechanics
Bras & Kets, Operator Representations, and Matrix Manipulations
Simple Harmonic Oscillator Revisited: Ladder Operators
Angular Momentum, the Hydrogen Atom, and Atomic Orbitals
Quantum Mechanical Treatments of Molecular Bonding: H2+, H2, …
Molecular Orbital Approach, Valence Bond Approach
Approximation Methods
Time Independent Perturbation Theory
Time Dependent Perturbation Theory
Variational Principle
Coupled Harmonic Oscillators
The Anharmonic Oscillator

Chem 395/437: Quantum Chemistry, Syllabus, Page 3 of 4


Academic Integrity
All students in this course are expected to have read and to abide by the demanding standard
of personal honesty, drafted by the University, can be viewed at:
https://www.luc.edu/academics/catalog/undergrad/reg_academicintegrity.shtml
The basic commitment of a university is to search for and to communicate the truth as it is honestly
perceived. The university could not accomplish its purpose in the absence of this demanding
standard. To the extent that this standard is respected, a genuine learning community can exist.
Students of this university are called upon to know, to respect, and to practice this standard of
personal honesty.

Plagiarism is a serious form of violation of this standard. Plagiarism is the appropriation for gain of
ideas, language, or work of another without sufficient public acknowledgement and appropriate
citation that the material is not one's own. It is true that every thought probably has been influenced
to some degree by the thoughts and actions of others. Such influences can be thought of as
affecting the ways we see things and express all thoughts. Plagiarism, however, involves the
deliberate taking and use of specific words and ideas of others without proper acknowledgement of
the sources.

I have no tolerance whatsoever for cheating or plagiarism. Any instance of dishonesty (including
those detailed on the website provided above or in this syllabus) during a quiz, test, or exam will
result in a failing grade for the course. The Dean of Arts & Sciences and The Chair of The
Department of Chemistry & Biochemistry will also be notified. I truly hope to never have to
invoke these processes. Please be honest with your work.
Teamwork: I strongly encourage you (the class) to work together to solve assigned and
unassigned problems. In order to learn and excel in Physical Chemistry, you should work
through problems. The assigned problems are a minimum. Work together with your classmates,
if you do not understand something, someone else may. You will also find that explaining a
solution to your classmate will cement the information in your mind, and make you a better
student.
When working as a group, if each member contributes to the discussion, and you each hand in
very similar work, that is perfectly acceptable given the nature of the assignments. On the other
hand, if someone simply copies an assignment from someone else, that is plagiarism, and will be
treated as such.
Students with Disabilities
If you have any special needs, please let me know in the first week of classes. The university
provides services for students with disabilities. Any student who would like to use any of these
university services should contact the Services for Students with Disabilities (SSWD), Sullivan
Center, (773) 508-3700. Further information is available at http://www.luc.edu/sswd/.
Your well-being
If there are events occurring in your life that cause school to diminish in its priority, please
discuss this with me or contact the Wellness Center (http://www.luc.edu/wellness/index.shtml)
or the dean of students (http://www.luc.edu/studentlife/dean_of_students_office.shtml) for
assistance. These are services that your tuition pays for and can be invaluable for your personal
health and maintaining progress towards your degree.

Chem 395/437: Quantum Chemistry, Syllabus, Page 4 of 4

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