Syllabus
Some simple applications of molecular symmetry. Groups, subgroups, classes, permutation groups, point groups.
Matrix representations. Some basic theorems for irreducible representations.
Decomposition of a representation. Direct product representations.
Descent in symmetry. Symmetry group of the Hamiltonian.
Symmetry adapted wavefunctions. Matrix elements and symmetry.
Electronic structure of molecules and symmetry. Group theory and molecular vibrations.
Nonrigid molecules. Symmetry and chemical reactions: Wigner-Witmer correlation rules, the non-crossing rule, Woodward-Hoffman rules, frontier orbitals.
Annotation
In the first part of the course covers the necessary mathematical background of molecular symmetry, linear algebra and group theory. The second part deals with the applications of group theory in electronic structure, vibrational spectra and chemical reactions.
The course is taught in English for ERASMUS students in a consultation form.