|
| Udgave: |
Efterår 2012 NAT |
| Point: |
7,5 |
| Blokstruktur: |
2. blok, 3. blok |
| Skemagruppe: |
A |
| Fagområde: |
kem |
| Varighed: |
Aftales med de deltagende studerende, ligesom det er tilfældet for undervisningstidspunktet. Interesserede opfordres til at kontakte underviseren. |
| Institutter: |
Kemisk Institut |
| Uddannelsesdel: |
Kandidat niveau, Ph.D.-niveau |
| Kontaktpersoner: |
Sten Rettrup, HCØ C306, tlf. 35320281, e-mail: rettrup@kiku.dk |
| Skema- oplysninger: |
 Vis skema for kurset
Samlet oversigt over tid og sted for alle kurser inden for Lektionsplan for Det Naturvidenskabelige Fakultet Efterår 2012 NAT |
| Indhold: |
The group postulates, Subgroups, Coset decompositions, Lagrange's theorem, Cayley's theorem, Direct product groups, Normalizer groups. The group algebra, Regular representation, Equivalent representations, Reducible representations, Unitary matrix representations, Schur's lemmas, General form of Orthogonality relations. Irreducible basis for the group algebra, Character projection elements, Irreducible representations of direct product groups. Symmetry of Many-Electron Wavefunctions, Symmetry operations, Rotation of functions, Classification of stationary states, The Pauli principle. Spin-Free Quantum Chemistry, The spin-free Pauli principle, Configuration state functions. Matrix Elements in Quantum Chemistry, Rotation of operators, Wigner coefficients, Irreducible tensors and tensor operators, The Wigner-Eckart theorem. |
| Kompetence- beskrivelse: |
- to provide a fundamental understanding of finite groups, their associated group algebras and the matrix representation theory from first principles.
- to become able to apply the theory of finite groups in molecular quantum chemistry. |
| Lærebøger: |
Introduction to Group Theoretical Methods in Quantum Chemistry, Lecture Notes, Sten Rettrup (appr. 120 pages) |
| Tilmelding: |
Tilmelding på Selvbetjeningen på KUnet fra d. 15. maj til d. 1. juni.
|
| Faglige forudsætninger: |
Fundamental knowledge of linear algebra and quantum chemistry corresponding to the level of MatFysK and KemiKS.
|
| Eksamensform: |
Pass-Fail evaluation based on a take-home exam followed by
individual oral examination with reference to the contents of the take-home problem.
The evaluation is based on a comprehensive assessment of the take-home exam and the oral exmination.
Internal censorship.
Reexam will be held as an oral exam.
|
| Eksamen: |
Take-home assignment due to 17 January and oral examination 24 January 2013.
Re-examination: Oral examination 18 April 2013. |
| Kursus hjemmeside: |
 |
| Bemærkninger: |
Kurset kan være på dansk, hvis det kun følges af dansksprogede studerende. Næste gang 12/13 |
| Undervisnings- sprog: |
Engelsk
|
| Sidst redigeret: |
8/5-2012 |