spring 2012

KJE-3103 Quantum Chemical Methods - 10 stp


Last changed: 19.11.2012

The course is administrated by

The course is administrated by

Faculty of Science and Technology
Type of course

Type of course

Theoretical subject.

The course is available as a singular or elective course independent of study program, also to exchange students and free-movers.

The course is offered on condition that a minimum number of students register for the course.

Course contents

Course 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.
Recommended prerequisites

Recommended prerequisites

KJE-3101 Quantum Chemistry
Language of instruction

Language of instruction

The language of instruction is English and all of the syllabus material is in English. Examination questions will be given in English, and may be answered in either English or a Norwegian/Scandinavian language.
Teaching methods

Teaching methods

Lectures: 45 h Seminars/exercises: 15 h
Assessment

Assessment

Grades based on a final, oral examination. Lettergrades (A-F).
Schedule

Schedule


Course overlap

Course overlap

K-310 Molecular quantum mechanics I 10 stp
KJE-8103 Quantum chemical methods 10 stp
Recommended reading/syllabus

Recommended reading/syllabus

Syllabus and reading list will be available in Fronter, or by contacting the teacher or the student adviser.
Lectures Spring 2012
FIRST ATTENDANCE: For information please contact Kenneth Ruud, phone 776 23101, email: kenneth.ruud@uit.no. The course is offered on condition that a minimum number of students register for the course.