CH502 Quantum Chemistry I (2015 Spring 3:0:3(3))
The purpose of this course is to give graduate students in Chemistry an ability to understand electronic structures and spectroscopic properties of atoms and molecules by means of theoretical techniques, such as ab initio and semi-empirical methods. Topics include: Hartree-Fock Approximation, configuration interaction, ab initio and semiempirical methods. (Prerequisite: CH315) Prerequisites by topic : Matrix Algebra, Hypergeometric functions, Fundamentals of classical mechanics, and group theory.
'The underlying physical laws necessary for the mathematical theory of a large part of physics and the whole of chemistry are thus completely known, and the difficulty is only that the exact application of these laws leads to equations much too complicated to be soluble.' P.A.M. Dirac (1902-1984) Proc. Roy. Soc (London) 123, 714(1929):
Currently, there are many approximations leading to useful results, especially with the help of computers. Results of quantum chemical calculations can compete with experiments for small molecules, are available for molecules for which no experimental data are available, supplement experimental data, and offer explanations for stability and reactivity.
Instructor: Prof. Yoon Sup Lee
- Office: 1103, Natural Science Building
- Tel: 042-350-2821
- e-mail: email@example.com
- Lecture Hours: 10:30 - 12:00 Tues. & Thurs.
- Text: I.N. Levine, "Quantum Chemistry" 5th Ed. & 6th Ed. Prentice Hall (2000&2009)
- Lecture Notes: (http://qclab.kaist.ac.kr)
- 20% attendance, Homework
- 40% Midterm, 40% Final
- Tests will contain more than 50% of problems from homework problems. Homework will be checked, but not graded.
- Presentations and report: TBA