2020225032 Chemical Bonding
Digital- & Präsenz-basierter Kurs
- classroom language
- EN
- aims
- The module focuses on the theoretical investigation of the phenomenon of chemical bonding. In addition to the recapitulation of essential mathematical foundations, it demonstrates how interactions between atoms occur and how they can be calculated. Hartree-Fock- and density functional theory will be treated in detail.
- requirements
- PC2 und PC3
- structure / topics / contents
- Hydrogen molecule (cation), many-electron systems. Hartree-Fock and density functional theory. Potential energy surfaces and normal modes. Intermolecular interactions.
- assigned modules
-
12/PC5 / (PC4 SO 2009)
- amount, credit points; Exam / major course assessment
- 4 SWS, 6 SP/ECTS (Arbeitsanteil im Modul für diese Lehrveranstaltung, nicht verbindlich)
Klausur über Stoff der Lehrveranstaltung. Gewichtete Modulabschlussnote mit VL statistische Thermodynamik und Spektroskopie im 6. Fachsemester.
- contact
- Denis Usvyat, R 3'323; Evelin Christlmaier, R3'324
- literature
-
Attila Szabo, Neil S. Ostlund . Modern Quantum Chemistry: Introduction to Advanced Electronic Structure Theory. Dower
Martin Schütz. Theoretical Chemistry I. available online on moodle
. .