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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

  • 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

  • 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.

    Read our step by step guide on how to apply

  • Contact

    Course coordinator and teacher:
    Michael Odelius, phone: +468 5537 8713, e-mail: Michael.Odelius@fysik.su.se

    Computer exercises:
    Cody Sterling, e-mail: cody.sterling@fysik.su.se

     

    Academic advisor at the Department of Physics: studievagledare@fysik.su.se

    Student office: studentexp@fysik.su.se