Course code
KJE-3104

Relativistic quantum chemistry

Emnebeskrivelse

Work Load 10  credits (ECTS)

Contents Short introduction to special relativity. The Dirac equation for molecules. Spinors. Four-component wave functions and methods for solving the Dirac equation for one and many-electron systems. Reduction of the four-component wave funtion to one- and two-component forms. The Pauli-, Douglas-Kroll and ZORA approximations. The effect of relativity on the electronic structure and chemistry of atoms and molecules

Form of teaching Lectures: 20 h Seminars/exercises: 10 h (intensive)

Assessment Final, oral examination

Examination semester Autumn

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 reading/syllabus Available on request

Language of instruction Norwegian, english by request

Homepage http://uit.no/kjemi/emner/196