WS 2019 SS 2019
WS 2018
WS 2017 SS 2018
Department of Chemistry
open physics
KVL / Klausuren / MAP 1st HS: 15.10  2nd HS: 10.12  sem.br.: 18.02  begin SS: 06.04

2020185136 Chemical Bonding  VVZ 

VL
Tue 9-11
weekly NEW 14 1'15 (60) Denis Usvyat
Thu 9-11
weekly NEW 14 1'15 (60)
UE
Fri 9-11
weekly NEW 14 0'05 (103) Martin Christmaier
UE
Fri 9-11
weekly NEW 14 1'13 (21) Thomas Mullan
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
5 SWS, 5 SP/ECTS (Arbeitsanteil im Modul für diese Lehrveranstaltung, nicht verbindlich)
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, Martin 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
. .
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