spring 2013
KJE-3104 Relativistic Quantum Chemistry - 10 ECTS
Course content
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 moleculesError rendering component
- About the course
- Campus: |
- ECTS: 10
- Course code: KJE-3104
- Responsible unit
- Institutt for kjemi
- Tidligere år og semester for dette emnet