Course: Quantum Chemical Methods in Chemical Physics FK40002, 15 credits
PhD course which provides broadening within the research subject chemical physics.
The aim of the course is to give a detailed understanding of molecular orbital theory with 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 etc.
Course Plan
Teaching format
The course is taught in English jointly FK7059
Contact
Course responsibles:
Markus Kowalewski , tel: 08 5537 8661, e-mail: markus.kowalewski@fysik.su.se
Michael Odelius , tel: 08 5537 8713, e-mail: michael.odelius@fysik.su.se
Last updated: January 18, 2024
Source: Department of Physics