KJE-3102 Computational Chemistry

Work Load 10  credits (ECTS)

Type of course Theoretical and practical subject.

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

Language of instruction Norwegian, english by request

Examination semester Spring

Contents The course will give an overview over important computational methods, including molecular mechanics, Hartree-Fock, semi-empirical methods, density functional theory, and the most important correlated methods. The choice of basis sets to be used for different methods and calculations will be emphasized. Emphasis will be given on the use of these methods, and computer exercises will be an essential part of the course.

Recommended previous qualifications KJE-3101 Quantum Chemistry

Form of teaching Lectures: 30 h Computer exercises: 45 h

Coursework requirements Ingen obligatoriske aktiviteter

Exam and assessment Final, oral examination

Contact person/lecturer Department of Chemistry, tel: 77 64 40 80, e-mail: postmottak@chem.uit.no

Recommended reading/syllabus Available on request

Course overlap KJE-8102 -1      10 sp

Homepage http://uit.no/kjemi/3626/