WS 2022 SS 2023
WS 2022
WS 2021 SS 2022
Department of Chemistry
open physics
KVL / Klausuren / MAP 1st HS: 17.10  2nd HS: 12.12  sem.br.: 20.02  begin SS: 16.04

2020225032 Chemical Bonding  VVZ 

VL
Tue 17-19
weekly NEW 14 0'07 (120) Denis Usvyat
Thu 17-19
weekly NEW 14 0'07 (120)
UE
Mon 17-19
weekly NEW 14 0'07 (120) Denis Usvyat

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
. .
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