Course code
KJE-3103

Quantum chemical methods

Emnebeskrivelse

Work Load 10  credits (ECTS)

Contents The most important quantum chemical methods in use for determining electronic wave functions and densities will be discussed, with particular emphasis on their theoretical basis. Second quantization will be introduced and used to describe Hartree-Fock, Configuration Interaction (CI), Multiconfigurational Hartree-Fock (MCSCF), perturbation theory, Coupled-Cluster and density functional theory.

Form of teaching Lectures: 45 h Seminars/exercises: 15 h

Assessment Final, oral examination

Examination semester Spring

Level of course/Year of study First or second year at master's level.

Contact person/lecturer Sissel Hansen, tel: 77 64 40 80, e-mail: sissel.hansen@chem.uit.no

Type of course Theoretical subject.

Recommended previous qualifications KJE-3101 Quantum Chemistry

Recommended reading/syllabus Available on request

Language of instruction Norwegian, english by request

Homepage http://uit.no/kjemi/3627/