量子化學

The main objective of this course is to provide the students with solid knowledge of mathematical and physical apparatus of quantum chemistry, allowing them to solve by themselves the quantum theoretical problems concerning their graduate research. We will study in detail solvable models of quantum mechanics and subsequently use the acquired knowledge to review the approximate models used extensively in quantum chemistry.

knowledge of basic calculus and linear algebra

Teaching will be performed using traditional means (chalk + blackboard). Mathematical problems will be solved using MAPLE in real time in classroom. Each class will start with a short 2-5 minutes quiz. Best 12 quizzes (out of 15, 3 worst are not counted) will contribute 20% to the final score of the class. Another 40% + 40% of the final score will be contributed by midterm and final exams.

• Mathematical apparatus of quantum theory
• Exactly solvable models in quantum theory
• Angular momentum
• Spin
• Midterm
• Atom
• Molecules
• Methods of quantum chemistry
• Time-dependent quantum chemistry
• Basic principles of quantum mechanics

The course will not follow a single textbook in a linear fashion. The textbooks that will be useful include but are not limited to the following list: •Modern Quantum Chemistry by A. Szabo and N. S. Ostlund •Quantum Chemistry by D.A. McQuarrie •Molecular Electronic-Structure Theory by T. Helgaker, P. Jorgensen, J. Olsen •Quantum Chemistry by I.N. Levine

地點

SB 112

時間

by appointments

聯絡方式

56583 hwitek@mail.nctu.edu.tw