Subject code: CHM 217

Subject description: QUANTUM CHEMISTRY

Instructor: Dahlia C. Apodaca, Ph. D.
SY/term: 2015-2016/3rd term
Schedule: Saturday, 12:00nn – 4:30pm

Objectives of the course:

At the end of the course, it is expected that the students must have achieved the following:
1. To acquire an advanced knowledge on the principles of quantum theory.
2. To motivate students to explore the technical features of quantum mechanics which include, but is not limited to
orthogonality of wavefunctions, interpretation of wavefunctions, relationships of degeneracy to symmetry and others.
3. To demonstrate the various applications of quantum mechanics such as in establishing the properties of particles through
solving of the appropriate Schrodinger equation; in accounting for atomic structures, molecular structures and spectroscopy
and many more.

Course Outline:

Week 1 Introduction and Principles: Origins of Quantum Mechanics Orientation

Lecture
Problem set/Board work
Week 2 Finite Dimensional Vector Spaces Lecture
Problem set/Board work
Week 3 Long Exam #1 Lecture
Function Spaces and Linear Operators

Week 4 Huckel Molecular Orbital Theory Lecture

Week 5 The Central Field Problem Lecture

Problem set
Week 6 Long Exam #2 Lecture
Perturbation Theory
Week 7 Quantum Mechanics for Bound States Lecture
Problem set/Board work
Week 8 Electron Spin Lecture
Problem set/Board work
Week 9 The Variation Method Lecture
Long Exam #3
Week 10 Special Project: Molecular modeling using Spartan® software Lecture
Problem set/Board work
Week 11 Presentation of Modeling Studies using Spartan® software Students’ Oral presentation
Final Exam Written

Textbooks:
1. Goodrich, F. C. A Primer of Quantum Chemistry. John Wiley & Sons, Inc. 1972
2. Atkins, P. W. Physical Chemistry, 3rd edition, Oxford University Press, 1994.
3. Zimmerman, H. E. Quantum Mechanics for Organic Chemists, Academic Press 1975

Grading System

Seminar (Written and Oral Presentation) - 30%

Problem Sets/Boardwork - 10%
Long Exams - 30%
Final Exam - 30%