Quantum Chemistry
Quantum chemistry methods allow for a detailed description of the electronic structure and can shed light on the physical processes that happen over the course of a chemical reaction and are used to support modern day experiments.
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.
-
Course structure
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
-
Schedule
The schedule will be available no later than one month before the start of the course. We do not recommend print-outs as changes can occur. At the start of the course, your department will advise where you can find your schedule during the course. -
Course literature
Note that the course literature can be changed up to two months before the start of the course.
Introduction to Computational Chemistry by F.Jensen
-
Course reports
Här ligger ett skript.
-
More information
When can I apply?
Registration is open from mid-March to mid-April for courses that run in the fall, and from mid-September to mid-October for courses that run in the spring.
Please note that many courses open for late registration in mid-July for courses in the autumn term and in mid-December for courses in the spring term.
-
Contact
Course coordinators and teachers:
Michael Odelius, phone: +468 5537 8713, e-mail: Michael.Odelius@fysik.su.seMarkus Kowalewski, phone: +468 5537 8661, e-mail: markus.kowalewski@fysik.su.se
Computer exercises:
Sambit Kumar Das, e-mail: sambit.das@fysik.su.seAcademic advisor at the Department of Physics: studievagledare@fysik.su.se
Student office: studentexp@fysik.su.se
