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.Please contact our academic advisor for information about the schedule.
-
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:
Michael Coates, e-mail: michael.coates@fysik.su.seAcademic advisor at the Department of Physics: studievagledare@fysik.su.se
Student office: studentexp@fysik.su.se
