Quantum Chemistry
The aim of the course is to give a detailed understanding of molecular orbital theory with research-level applications. During the course, basic and advanced methods in quantum chemistry are presented. An important part of the course is the practical computer exercises, in which you get hands-on experience with simple quantum chemical calculations, such as Hartree-Fock and density functional theory. Furthermore, you learn how to approach a chemical reaction from a quantum chemical perspective by determining potential minima, transition states, force constants, zero-point energy, and other relevant reaction parameters.
This is a second cycle course given at half speed during daytime. This course can also be taken as a third cycle course.
Teaching Format
The teaching consists of seminars, group education, and obligatory computer-based exercises.
Assessment
The course is examined through a final written and oral examination, and through written and oral presentation of the computer-based exercises.
Examiner
Michael Odelius, phone: +468 5537 8713, e-mail: Michael.Odelius@fysik.su.se
Markus Kowalewski, phone: +468 5537 8661, e-mail: markus.kowalewski@fysik.su.se
Introduction to Computational Chemistry by F.Jensen
Course coordinators and teachers:
Michael Odelius, phone: +468 5537 8713, e-mail: Michael.Odelius@fysik.su.se
Markus Kowalewski, phone: +468 5537 8661, e-mail: markus.kowalewski@fysik.su.se
Computer exercises:
Sambit Kumar Das, e-mail: sambit.das@fysik.su.se
Academic advisor at the Department of Physics: studievagledare@fysik.su.se
Student office: studentexp@fysik.su.se
