Quantum Chemistry

Course Description

Content:
The course focuses on learning the historical background (black body radiation, Electromagnetic effect, atomic spectra, and Heisenberg uncertainty principle). In addition to the postulates of the quantum theory, wave function, Schrödinger equations, and Hamiltonian operator. Student will learn the applications of the Schrödinger equation of a particle in one-dimensional and three-dimensional box and of the Schrödinger equation of Hydrogen atom. The principle of angular momentum and harmonic oscillator will be discussed briefly on this course. Student will learn the Born-Oppenheimer approximation, Perturbation and Variation theories. In addition to Molecular orbital theory and Huckel Molecular orbital theory.

Course Objectives & Outcomes

Objectives:

• Realizing the drawbacks of the classical mechanics and the essential need of new type of mechanics to deal with the microscopic systems.
•  Understanding the nature and framework of quantum mechanics.
•  Applying the quantum mechanics to solve problems in chemistry regarding atomic structure, bonding in molecules and spectroscopy.

Outcomes:

At the end of this course, the student will be able to:

• Outline the background and theories of quantum chemistry.
• Describe how the classical mechanics failed in dealing with microscopic particles.
• Identify the basic knowledge of mathematical and physical science that serve quantum chemistry.
• Define how the operators are related to quantum chemistry.
• Solve the mathematical equations used in quantum chemistry.
• Formulation of the Hamiltonian operator.
• Explain the Schrodinger equation for a microscopic system
• Writing the total wave function
• Apply the knowledge of basic theory in quantum chemistry and linked them with applications of life.

References
1.Peter W. Atkins and Ronald S. Friedman, “Molecular Quantum Mechanics”5th Edition, Oxford University Press, 2011, ISBN: 9780199541423
Recommended Textbooks and Reference Materials:
2.Donald McQuarrie, “Quantum Chemistry”, 2nd. Edition, University Science Books, 2008, ISBN: 9781891389504

3.Ira, N. Levine, “Quantum Chemistry”, 7th. Edition, Prentice Hall, 2013. ISBN: 9780321803450

Course ID: CHEM 307